++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:56:52 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: ./2otm-1.9-parrot-mrncs/2otm-1.9-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2otm-1.9-parrot-mrncs/2otm-1.9-parrot-mrncs.ins Phases from ./2otm-1.9-parrot-mrncs/2otm-1.9-parrot-mrncs.phi Native data from ./2otm-1.9-parrot-mrncs/2otm-1.9-parrot-mrncs.hkl Listing output to ./2otm-1.9-parrot-mrncs/2otm-1.9-parrot-mrncs.lst Phases output to ./2otm-1.9-parrot-mrncs/2otm-1.9-parrot-mrncs.phs Poly-Ala trace output to ./2otm-1.9-parrot-mrncs/2otm-1.9-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: C 1 2 1 Allowed origin shift code: 3 46757 Reflections read from file ./2otm-1.9-parrot-mrncs/2otm-1.9-parrot-mrncs.phi 46757 Reflections read from file ./2otm-1.9-parrot-mrncs/2otm-1.9-parrot-mrncs.hkl 46757 Unique data, highest resolution = 1.850 Angstroms Anisotropic scaling: intensities multiplied by 0.000084h^2 -0.000036k^2 -0.000110l^2 +0.000000kl -0.000067hl +0.000000hk 15 Reflections with d > 2.050 and 0 in range 2.050 > d > 1.850 added Density sharpening factor set to 0.98 Fourier grid = 256 x 128 x 64 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.701 = 0.300, Contrast = 0.521, Connect. = 0.744 for dens.mod. cycle 1 = 0.300, Contrast = 0.619, Connect. = 0.759 for dens.mod. cycle 2 = 0.300, Contrast = 0.737, Connect. = 0.784 for dens.mod. cycle 3 = 0.300, Contrast = 0.766, Connect. = 0.792 for dens.mod. cycle 4 = 0.300, Contrast = 0.778, Connect. = 0.797 for dens.mod. cycle 5 = 0.300, Contrast = 0.785, Connect. = 0.801 for dens.mod. cycle 6 = 0.300, Contrast = 0.788, Connect. = 0.803 for dens.mod. cycle 7 = 0.300, Contrast = 0.790, Connect. = 0.804 for dens.mod. cycle 8 = 0.300, Contrast = 0.791, Connect. = 0.805 for dens.mod. cycle 9 = 0.300, Contrast = 0.791, Connect. = 0.806 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2020 peaks > 0.5 sigma used to seed fragment search Space for about 608 unique residues taking solvent into account 509 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 22.224 2.026 1.043 0.659 0.933 0.800 CB 1.283 B: 36 36.093 2.187 0.683 0.631 0.943 0.657 CB 1.555 9 residues pruned to eliminate duplicates C: 19 31.149 2.230 0.525 0.895 1.000 0.722 CB 1.547 19 residues pruned to eliminate duplicates D: 63 40.502 2.118 0.719 0.508 0.968 0.565 CB 1.449 E: 17 34.932 2.269 0.745 0.898 1.000 0.750 CB 1.578 17 residues pruned to eliminate duplicates F: 18 32.938 2.185 0.611 0.900 1.000 0.824 CB 1.621 18 residues pruned to eliminate duplicates G: 54 44.906 2.253 0.762 0.550 0.962 0.547 CB 1.538 35 residues pruned to eliminate duplicates H: 27 35.076 2.148 0.594 0.945 0.962 0.962 CB 1.447 I: 11 19.346 1.922 1.106 0.685 0.900 0.700 CB 1.416 J: 45 26.819 2.101 0.632 0.437 0.841 0.568 CB 1.496 23 residues pruned to eliminate duplicates K: 60 49.294 2.280 0.870 0.558 0.932 0.661 CB 1.526 7 residues pruned to eliminate duplicates L: 75 53.666 2.231 0.990 0.571 0.892 0.486 CB 1.471 62 residues pruned to eliminate duplicates M: 26 35.729 2.174 0.631 0.927 0.960 0.880 CB 1.471 26 residues pruned to eliminate duplicates N: 17 32.123 2.307 0.598 0.918 0.938 0.875 CB 1.639 17 residues pruned to eliminate duplicates O: 55 32.121 1.987 0.830 0.451 0.944 0.519 CB 1.339 9 residues pruned to eliminate duplicates P: 46 25.393 1.909 0.702 0.498 0.956 0.556 CB 1.222 46 residues pruned to eliminate duplicates Q: 40 32.017 2.082 0.647 0.683 0.897 0.692 CB 1.409 42 residues pruned to eliminate duplicates R: 19 25.401 2.245 0.434 0.880 0.889 0.611 CB 1.516 19 residues pruned to eliminate duplicates S: 19 31.734 2.210 0.592 0.860 0.944 0.778 CB 1.655 T: 21 38.214 2.334 0.847 0.959 1.000 0.950 CB 1.359 22 residues pruned to eliminate duplicates U: 25 31.280 2.251 0.368 0.939 1.000 0.958 CB 1.441 25 residues pruned to eliminate duplicates V: 62 52.444 2.253 0.842 0.579 0.967 0.705 CB 1.550 62 residues pruned to eliminate duplicates W: 24 43.167 2.285 0.762 0.947 1.000 0.739 CB 1.545 24 residues pruned to eliminate duplicates X: 18 27.214 2.151 0.568 0.930 0.941 0.765 CB 1.453 18 residues pruned to eliminate duplicates Y: 18 29.338 2.209 0.484 0.881 1.000 0.824 CB 1.572 18 residues pruned to eliminate duplicates Z: 50 37.432 2.170 0.712 0.572 0.939 0.592 CB 1.431 50 residues pruned to eliminate duplicates Z: 24 31.561 2.142 0.671 0.918 0.957 0.783 CB 1.356 Z: 7 7.908 2.186 0.316 0.876 1.000 0.833 CB 0.816 7 residues pruned to eliminate duplicates Z: 23 48.941 2.291 1.046 0.927 1.000 0.636 CB 1.560 26 residues pruned to eliminate duplicates Z: 20 29.919 2.229 0.863 0.890 0.895 0.842 CB 1.329 20 residues pruned to eliminate duplicates Z: 63 47.358 2.263 0.817 0.560 0.935 0.645 CB 1.475 63 residues pruned to eliminate duplicates Z: 9 12.466 1.941 0.608 0.427 1.000 0.500 CA 1.523 9 residues pruned to eliminate duplicates Z: 34 23.415 2.039 0.584 0.504 0.909 0.545 CB 1.383 34 residues pruned to eliminate duplicates Z: 31 18.497 1.898 0.692 0.419 0.933 0.533 CB 1.227 31 residues pruned to eliminate duplicates Z: 19 30.106 2.244 0.676 0.867 0.889 0.556 CB 1.552 19 residues pruned to eliminate duplicates Z: 12 11.889 1.908 1.032 0.460 0.727 0.545 CA 1.325 12 residues pruned to eliminate duplicates Z: 20 26.326 2.100 0.413 0.856 1.000 0.684 CB 1.502 20 residues pruned to eliminate duplicates Z: 24 41.269 2.276 0.686 0.954 1.000 0.870 CB 1.542 24 residues pruned to eliminate duplicates Z: 19 29.791 2.136 0.579 0.892 1.000 0.722 CB 1.495 19 residues pruned to eliminate duplicates Z: 24 31.068 2.311 0.988 0.420 0.913 0.565 CB 1.678 24 residues pruned to eliminate duplicates Z: 15 34.773 2.335 0.943 0.914 1.000 0.929 CB 1.449 15 residues pruned to eliminate duplicates Z: 47 33.711 2.093 0.822 0.512 0.957 0.500 CB 1.347 Z: 24 35.102 2.263 0.601 0.941 0.957 0.870 CB 1.466 24 residues pruned to eliminate duplicates Z: 10 20.675 2.053 0.982 0.884 0.889 0.556 CB 1.377 11 residues pruned to eliminate duplicates Z: 24 32.533 2.106 0.706 0.929 0.957 0.696 CB 1.382 24 residues pruned to eliminate duplicates Z: 57 37.086 2.130 0.771 0.494 0.911 0.643 CB 1.452 57 residues pruned to eliminate duplicates Z: 18 35.107 2.216 0.686 0.923 1.000 0.882 CB 1.601 19 residues pruned to eliminate duplicates Z: 17 32.464 2.279 0.572 0.913 1.000 0.938 CB 1.604 17 residues pruned to eliminate duplicates Z: 62 53.103 2.293 0.824 0.566 0.967 0.639 CB 1.576 63 residues pruned to eliminate duplicates Z: 19 30.848 2.262 0.424 0.897 1.000 0.722 CB 1.616 19 residues pruned to eliminate duplicates Z: 41 19.770 1.890 0.601 0.436 0.925 0.575 CB 1.193 41 residues pruned to eliminate duplicates Z: 68 39.789 2.103 0.812 0.519 0.881 0.612 CB 1.421 86 residues pruned to eliminate duplicates Z: 23 46.224 2.328 0.997 0.955 0.955 0.636 CB 1.526 22 residues pruned to eliminate duplicates Z: 50 44.152 2.156 0.865 0.560 0.980 0.592 CB 1.510 109 residues pruned to eliminate duplicates Z: 52 32.613 1.991 0.867 0.470 0.882 0.569 CB 1.436 55 residues pruned to eliminate duplicates Z: 17 39.628 2.324 0.794 0.929 1.000 0.812 CB 1.662 Z: 24 26.983 2.270 0.783 0.407 0.957 0.609 CB 1.602 24 residues pruned to eliminate duplicates Z: 24 44.576 2.313 0.892 0.948 1.000 0.826 CB 1.467 24 residues pruned to eliminate duplicates Z: 23 31.182 2.215 0.853 0.515 0.955 0.591 CB 1.672 23 residues pruned to eliminate duplicates Z: 25 26.536 2.178 0.749 0.448 0.958 0.583 CB 1.565 25 residues pruned to eliminate duplicates Z: 14 33.429 2.467 1.173 0.529 0.923 0.615 CB 1.821 14 residues pruned to eliminate duplicates Z: 9 16.655 2.043 0.578 0.842 0.875 0.625 CB 1.555 9 residues pruned to eliminate duplicates Z: 65 53.964 2.249 0.851 0.568 0.984 0.719 CB 1.541 82 residues pruned to eliminate duplicates Z: 71 52.038 2.234 1.096 0.510 0.900 0.500 CB 1.461 71 residues pruned to eliminate duplicates Z: 24 58.028 2.369 1.454 0.945 0.957 0.478 CB 1.506 23 residues pruned to eliminate duplicates Z: 26 39.695 2.365 0.980 0.554 0.960 0.640 CA 1.675 26 residues pruned to eliminate duplicates Z: 22 37.626 2.327 1.155 0.523 0.952 0.714 CA 1.682 22 residues pruned to eliminate duplicates Z: 12 19.437 2.272 0.485 0.932 1.000 0.909 CB 1.214 12 residues pruned to eliminate duplicates Z: 82 50.249 2.151 0.846 0.564 0.938 0.642 CB 1.409 96 residues pruned to eliminate duplicates Z: 52 32.139 2.095 0.751 0.476 0.922 0.569 CB 1.365 52 residues pruned to eliminate duplicates Z: 50 28.934 2.076 0.562 0.486 0.959 0.510 CB 1.348 50 residues pruned to eliminate duplicates Z: 24 38.534 2.168 0.788 0.956 1.000 0.783 CB 1.424 24 residues pruned to eliminate duplicates Z: 25 44.206 2.240 1.025 0.944 0.958 0.875 CB 1.437 25 residues pruned to eliminate duplicates Z: 9 21.860 2.049 0.671 0.894 1.000 0.875 CB 1.619 9 residues pruned to eliminate duplicates Z: 23 30.598 2.238 0.999 0.466 0.955 0.682 CB 1.582 23 residues pruned to eliminate duplicates Z: 26 51.487 2.233 1.330 0.927 1.000 0.440 CB 1.387 26 residues pruned to eliminate duplicates Z: 24 25.034 2.110 0.262 0.954 1.000 0.913 CB 1.348 23 residues pruned to eliminate duplicates Z: 25 44.673 2.286 0.832 0.920 1.000 0.833 CB 1.533 25 residues pruned to eliminate duplicates Z: 21 32.538 2.107 0.834 0.939 0.950 0.800 CB 1.376 21 residues pruned to eliminate duplicates Z: 17 32.934 2.277 0.722 0.921 1.000 0.875 CB 1.477 17 residues pruned to eliminate duplicates Z: 22 35.769 2.166 0.822 0.936 0.952 0.810 CB 1.446 22 residues pruned to eliminate duplicates Z: 9 16.154 2.036 0.510 0.871 0.875 0.750 CB 1.548 9 residues pruned to eliminate duplicates Z: 10 19.792 2.004 0.919 0.893 0.889 0.667 CB 1.386 10 residues pruned to eliminate duplicates Z: 49 34.852 2.163 0.591 0.556 0.938 0.646 CB 1.477 Z: 24 29.918 2.192 0.701 0.790 0.913 0.652 CB 1.419 24 residues pruned to eliminate duplicates Z: 24 46.893 2.310 1.001 0.954 0.957 0.522 CB 1.522 24 residues pruned to eliminate duplicates Z: 25 36.202 2.309 1.142 0.521 0.917 0.625 CB 1.597 25 residues pruned to eliminate duplicates Z: 44 48.401 2.207 1.037 0.618 0.953 0.767 CB 1.541 44 residues pruned to eliminate duplicates Z: 40 17.188 1.865 0.484 0.401 0.923 0.462 CB 1.196 Z: 8 8.723 1.751 1.112 0.519 0.714 0.571 CB 1.225 8 residues pruned to eliminate duplicates Z: 65 44.404 2.250 0.729 0.541 0.938 0.594 CB 1.462 65 residues pruned to eliminate duplicates Z: 9 21.030 2.127 0.756 0.902 1.000 0.750 CB 1.420 9 residues pruned to eliminate duplicates Z: 60 47.215 2.237 0.794 0.547 0.949 0.627 CB 1.541 60 residues pruned to eliminate duplicates Z: 25 59.495 2.288 1.411 0.935 1.000 0.542 CB 1.534 25 residues pruned to eliminate duplicates Z: 9 14.865 2.054 0.513 0.834 0.875 0.625 CB 1.449 9 residues pruned to eliminate duplicates Z: 24 47.741 2.285 1.143 0.937 0.957 0.609 CB 1.479 24 residues pruned to eliminate duplicates Z: 18 36.012 2.246 0.763 0.887 1.000 0.765 CB 1.591 Z: 19 28.699 2.219 0.616 0.880 0.889 0.611 CB 1.537 19 residues pruned to eliminate duplicates Z: 21 19.824 2.090 0.779 0.358 0.850 0.600 CB 1.635 21 residues pruned to eliminate duplicates Z: 20 24.148 2.093 0.550 0.806 0.947 0.842 CB 1.381 20 residues pruned to eliminate duplicates Z: 34 17.395 1.877 0.613 0.464 0.879 0.545 CB 1.180 34 residues pruned to eliminate duplicates Z: 25 46.735 2.292 0.941 0.954 0.958 0.625 CB 1.540 25 residues pruned to eliminate duplicates Z: 11 6.910 1.757 0.526 0.346 0.800 0.500 CB 1.204 7 residues pruned to eliminate duplicates Z: 44 34.300 2.080 0.763 0.530 0.953 0.581 CB 1.453 44 residues pruned to eliminate duplicates Z: 10 17.721 2.037 0.442 0.908 1.000 0.889 CA 1.428 10 residues pruned to eliminate duplicates Z: 24 34.244 2.151 0.719 0.951 0.957 0.783 CB 1.391 24 residues pruned to eliminate duplicates Z: 17 16.201 2.148 0.693 0.408 0.812 0.438 CB 1.509 17 residues pruned to eliminate duplicates Z: 24 32.582 2.106 0.708 0.927 1.000 0.870 CB 1.324 24 residues pruned to eliminate duplicates Z: 11 12.954 1.834 0.841 0.601 0.800 0.800 CA 1.378 9 residues pruned to eliminate duplicates Z: 24 45.116 2.324 0.929 0.957 0.957 0.739 CB 1.505 24 residues pruned to eliminate duplicates Z: 9 13.310 1.921 1.164 0.545 0.750 0.750 CB 1.445 9 residues pruned to eliminate duplicates Z: 25 55.454 2.297 1.360 0.932 0.958 0.625 CB 1.522 25 residues pruned to eliminate duplicates Z: 19 24.482 2.113 0.419 0.882 0.944 0.778 CB 1.475 19 residues pruned to eliminate duplicates Z: 26 42.832 2.207 0.737 0.955 1.000 0.800 CB 1.535 26 residues pruned to eliminate duplicates Z: 20 30.722 2.098 0.668 0.889 0.947 0.737 CB 1.531 20 residues pruned to eliminate duplicates Z: 20 26.345 2.074 0.466 0.889 1.000 0.895 CB 1.432 20 residues pruned to eliminate duplicates Z: 25 50.857 2.310 1.022 0.956 1.000 0.625 CB 1.527 25 residues pruned to eliminate duplicates Z: 20 23.582 2.135 0.479 0.875 1.000 0.789 CB 1.246 20 residues pruned to eliminate duplicates Z: 16 35.336 2.334 0.945 0.911 0.933 0.800 CB 1.527 16 residues pruned to eliminate duplicates Z: 25 41.541 2.159 1.023 0.953 1.000 0.708 CB 1.336 25 residues pruned to eliminate duplicates Z: 24 31.710 2.129 0.567 0.923 1.000 0.870 CB 1.394 24 residues pruned to eliminate duplicates Z: 25 44.024 2.216 1.075 0.956 0.958 0.792 CB 1.401 25 residues pruned to eliminate duplicates Z: 16 21.000 2.265 0.698 0.447 0.867 0.800 CB 1.717 12 residues pruned to eliminate duplicates Z: 17 30.387 2.310 0.452 0.909 1.000 0.812 CB 1.608 17 residues pruned to eliminate duplicates Z: 14 36.456 2.388 1.112 0.940 0.923 0.846 CB 1.508 14 residues pruned to eliminate duplicates Z: 24 40.590 2.195 0.961 0.950 0.957 0.870 CB 1.418 24 residues pruned to eliminate duplicates Z: 38 31.116 2.092 0.806 0.554 0.892 0.595 CB 1.441 38 residues pruned to eliminate duplicates Z: 36 35.398 2.159 0.804 0.654 0.971 0.743 CB 1.370 36 residues pruned to eliminate duplicates Z: 43 41.760 2.237 0.828 0.627 0.929 0.643 CB 1.506 43 residues pruned to eliminate duplicates Z: 20 29.505 2.263 0.502 0.859 0.947 0.632 CB 1.546 20 residues pruned to eliminate duplicates Z: 9 21.175 2.039 1.051 0.830 0.875 0.375 CB 1.539 9 residues pruned to eliminate duplicates Z: 9 14.814 2.036 0.606 0.848 0.875 0.625 CB 1.358 9 residues pruned to eliminate duplicates Z: 29 31.420 2.230 0.832 0.518 0.893 0.536 CB 1.599 29 residues pruned to eliminate duplicates Z: 50 31.244 2.033 0.730 0.481 0.939 0.510 CB 1.378 50 residues pruned to eliminate duplicates Z: 24 32.511 2.173 0.622 0.949 0.957 0.957 CB 1.388 24 residues pruned to eliminate duplicates Z: 51 38.046 2.091 0.757 0.510 0.960 0.560 CB 1.510 51 residues pruned to eliminate duplicates Z: 29 34.841 2.199 0.789 0.781 0.929 0.893 CB 1.406 29 residues pruned to eliminate duplicates Z: 9 13.737 1.942 0.565 0.842 0.875 0.750 CB 1.361 9 residues pruned to eliminate duplicates Z: 16 31.447 2.286 0.606 0.898 1.000 0.867 CB 1.583 16 residues pruned to eliminate duplicates Z: 80 37.948 2.019 0.756 0.536 0.924 0.696 CB 1.259 65 residues pruned to eliminate duplicates Z: 7 7.046 1.698 0.481 0.589 0.833 0.833 CA 1.261 Z: 48 33.596 2.087 0.724 0.514 0.957 0.447 CB 1.403 48 residues pruned to eliminate duplicates Z: 41 42.094 2.231 0.861 0.655 0.925 0.675 CB 1.500 41 residues pruned to eliminate duplicates Z: 19 12.291 1.797 0.581 0.501 0.833 0.556 CB 1.223 19 residues pruned to eliminate duplicates Z: 6 3.251 2.054 0.081 0.872 1.000 0.800 CB 0.477 6 residues pruned to eliminate duplicates Z: 24 49.265 2.278 1.293 0.949 0.957 0.609 CB 1.419 24 residues pruned to eliminate duplicates Z: 16 26.701 2.253 0.334 0.906 1.000 0.867 CB 1.631 16 residues pruned to eliminate duplicates Z: 37 32.556 2.077 0.770 0.630 0.917 0.694 CB 1.425 37 residues pruned to eliminate duplicates Z: 25 46.513 2.319 0.897 0.956 1.000 0.833 CB 1.483 25 residues pruned to eliminate duplicates Z: 18 23.294 2.089 0.620 0.860 0.882 0.647 CB 1.391 18 residues pruned to eliminate duplicates Z: 26 34.503 2.305 0.930 0.491 0.920 0.680 CB 1.700 26 residues pruned to eliminate duplicates Z: 20 22.545 2.017 0.413 0.850 0.947 0.737 CB 1.419 20 residues pruned to eliminate duplicates Z: 14 17.768 2.077 0.881 0.465 0.923 0.769 CA 1.416 5 residues pruned to eliminate duplicates Z: 18 20.444 2.039 0.321 0.914 0.941 0.882 CB 1.383 18 residues pruned to eliminate duplicates Z: 24 43.082 2.176 0.966 0.953 1.000 0.652 CB 1.445 24 residues pruned to eliminate duplicates Z: 33 37.173 2.148 0.804 0.707 0.938 0.781 CB 1.499 37 residues pruned to eliminate duplicates Z: 8 24.310 2.132 1.176 0.734 1.000 1.000 CA 1.605 10 residues pruned to eliminate duplicates Z: 16 30.168 2.294 0.650 0.896 1.000 0.867 CB 1.475 16 residues pruned to eliminate duplicates Z: 11 16.257 1.924 1.176 0.625 0.900 0.800 CB 1.212 11 residues pruned to eliminate duplicates Z: 43 35.176 2.148 0.777 0.636 0.929 0.619 CB 1.348 61 residues pruned to eliminate duplicates Z: 24 44.566 2.178 1.043 0.952 1.000 0.522 CB 1.439 24 residues pruned to eliminate duplicates Z: 18 20.299 2.053 0.476 0.854 0.882 0.588 CB 1.359 18 residues pruned to eliminate duplicates Z: 32 18.963 1.944 0.632 0.418 0.935 0.484 CB 1.249 32 residues pruned to eliminate duplicates Z: 18 23.813 2.058 0.462 0.801 0.941 0.529 CB 1.568 Z: 37 40.262 2.196 0.835 0.672 0.944 0.806 CB 1.505 44 residues pruned to eliminate duplicates Z: 36 31.504 2.110 0.713 0.573 0.943 0.629 CB 1.455 36 residues pruned to eliminate duplicates Z: 25 16.400 1.918 0.676 0.469 0.792 0.583 CB 1.358 25 residues pruned to eliminate duplicates Z: 17 30.355 2.306 0.411 0.937 1.000 0.875 CB 1.623 17 residues pruned to eliminate duplicates Z: 25 47.369 2.198 1.491 0.936 0.917 0.250 CB 1.342 24 residues pruned to eliminate duplicates Z: 24 40.462 2.184 0.969 0.955 0.957 0.739 CB 1.410 24 residues pruned to eliminate duplicates Z: 11 14.689 1.796 0.914 0.659 1.000 1.000 CB 1.166 10 residues pruned to eliminate duplicates Z: 27 25.932 1.953 0.824 0.595 0.962 0.500 CB 1.356 27 residues pruned to eliminate duplicates Z: 24 42.959 2.176 1.055 0.945 1.000 0.478 CB 1.386 24 residues pruned to eliminate duplicates Z: 25 41.847 2.252 0.941 0.939 0.917 0.625 CB 1.482 25 residues pruned to eliminate duplicates Z: 20 45.925 2.162 1.374 0.916 0.947 0.474 CB 1.530 20 residues pruned to eliminate duplicates Z: 24 41.008 2.159 0.979 0.952 1.000 0.565 CB 1.378 24 residues pruned to eliminate duplicates Z: 23 29.586 2.335 0.758 0.444 0.909 0.545 CA 1.790 23 residues pruned to eliminate duplicates Z: 9 16.337 1.953 0.524 0.851 1.000 0.750 CB 1.437 9 residues pruned to eliminate duplicates Z: 28 21.782 2.067 0.747 0.417 0.889 0.630 CB 1.424 39 residues pruned to eliminate duplicates Z: 15 28.666 2.240 1.017 0.845 0.929 0.714 CB 1.358 15 residues pruned to eliminate duplicates Z: 24 40.554 2.294 0.689 0.944 1.000 0.739 CB 1.511 24 residues pruned to eliminate duplicates Z: 38 20.570 1.934 0.584 0.483 0.946 0.459 CB 1.187 27 residues pruned to eliminate duplicates Z: 17 24.547 2.069 0.724 0.833 0.938 0.500 CB 1.377 17 residues pruned to eliminate duplicates Z: 16 35.594 2.350 1.104 0.929 0.933 0.733 CB 1.394 16 residues pruned to eliminate duplicates Z: 16 33.826 2.327 0.734 0.921 1.000 0.933 CB 1.523 16 residues pruned to eliminate duplicates Z: 17 29.362 2.227 0.388 0.894 1.000 0.875 CB 1.704 18 residues pruned to eliminate duplicates Z: 18 25.655 2.094 0.661 0.876 0.941 0.706 CB 1.382 18 residues pruned to eliminate duplicates Z: 16 11.364 1.723 0.479 0.602 1.000 0.733 CB 1.045 16 residues pruned to eliminate duplicates Z: 92 51.019 2.098 1.013 0.507 0.890 0.516 CB 1.413 41 residues pruned to eliminate duplicates Z: 6 4.849 1.750 0.439 0.668 1.000 0.600 CB 0.737 Z: 40 18.033 1.897 0.586 0.387 0.872 0.410 CB 1.241 40 residues pruned to eliminate duplicates Z: 24 56.964 2.298 1.461 0.957 1.000 0.435 CB 1.441 24 residues pruned to eliminate duplicates Z: 38 31.718 2.070 0.772 0.530 0.946 0.568 CB 1.459 38 residues pruned to eliminate duplicates Z: 20 31.992 2.203 0.654 0.863 1.000 0.263 CB 1.478 20 residues pruned to eliminate duplicates Z: 41 32.424 2.082 0.729 0.668 0.900 0.775 CB 1.355 41 residues pruned to eliminate duplicates Z: 6 3.740 1.564 0.523 0.403 1.000 0.600 CA 0.778 Z: 86 47.994 2.134 0.779 0.571 0.906 0.624 CB 1.413 86 residues pruned to eliminate duplicates Z: 25 29.258 2.262 0.738 0.445 0.958 0.667 CB 1.677 25 residues pruned to eliminate duplicates Z: 25 47.804 2.203 1.077 0.947 1.000 0.542 CB 1.474 25 residues pruned to eliminate duplicates Z: 44 30.737 2.052 0.626 0.599 0.930 0.605 CB 1.374 44 residues pruned to eliminate duplicates Z: 24 50.213 2.315 1.045 0.951 1.000 0.435 CB 1.523 24 residues pruned to eliminate duplicates Z: 91 47.658 2.134 0.766 0.567 0.900 0.589 CB 1.389 51 residues pruned to eliminate duplicates Z: 10 21.716 2.062 0.710 0.902 1.000 0.556 CB 1.465 10 residues pruned to eliminate duplicates Z: 14 16.684 1.736 1.158 0.628 0.846 0.692 CB 1.295 14 residues pruned to eliminate duplicates Z: 40 30.789 2.089 0.654 0.644 0.923 0.641 CB 1.351 40 residues pruned to eliminate duplicates Z: 39 31.598 2.015 0.742 0.663 0.921 0.737 CB 1.363 39 residues pruned to eliminate duplicates Z: 6 5.706 1.916 -0.280 0.699 1.000 0.800 CB 1.543 Z: 42 27.821 2.079 0.713 0.468 0.951 0.537 CB 1.325 42 residues pruned to eliminate duplicates Z: 27 16.680 1.883 0.567 0.442 0.923 0.423 CB 1.275 27 residues pruned to eliminate duplicates Z: 16 38.893 2.307 0.844 0.934 1.000 0.733 CB 1.647 17 residues pruned to eliminate duplicates Z: 36 38.350 2.224 0.690 0.727 0.943 0.829 CB 1.491 37 residues pruned to eliminate duplicates Z: 51 34.487 2.117 0.761 0.494 0.940 0.600 CB 1.401 51 residues pruned to eliminate duplicates Z: 57 37.219 2.170 0.731 0.540 0.893 0.571 CB 1.426 57 residues pruned to eliminate duplicates Z: 24 37.797 2.168 0.876 0.943 0.957 0.783 CB 1.403 24 residues pruned to eliminate duplicates Z: 39 31.139 2.067 0.779 0.553 0.947 0.605 CB 1.377 39 residues pruned to eliminate duplicates Z: 24 34.331 2.158 0.682 0.934 0.957 0.522 CB 1.438 24 residues pruned to eliminate duplicates Z: 26 50.542 2.191 1.205 0.947 0.960 0.600 CB 1.507 26 residues pruned to eliminate duplicates Z: 61 37.473 2.103 0.731 0.557 0.917 0.650 CB 1.371 47 residues pruned to eliminate duplicates Z: 30 20.815 1.963 0.654 0.429 0.931 0.517 CB 1.376 30 residues pruned to eliminate duplicates Z: 19 21.187 2.061 0.344 0.917 1.000 0.778 CB 1.272 19 residues pruned to eliminate duplicates Z: 53 30.914 2.048 0.763 0.489 0.904 0.404 CB 1.329 53 residues pruned to eliminate duplicates Z: 51 41.471 2.086 1.025 0.593 0.920 0.560 CB 1.381 51 residues pruned to eliminate duplicates Z: 37 35.890 2.152 0.755 0.680 0.944 0.750 CB 1.420 16 residues pruned to eliminate duplicates Z: 25 42.832 2.307 1.143 0.608 0.958 0.750 CB 1.665 25 residues pruned to eliminate duplicates Z: 32 29.383 2.053 0.767 0.563 0.968 0.581 CB 1.413 32 residues pruned to eliminate duplicates Z: 38 29.857 2.048 0.640 0.669 0.919 0.676 CB 1.361 38 residues pruned to eliminate duplicates Z: 47 29.473 1.959 0.758 0.499 0.891 0.587 CB 1.417 47 residues pruned to eliminate duplicates Z: 43 38.189 2.213 0.675 0.611 0.952 0.595 CB 1.503 43 residues pruned to eliminate duplicates Z: 46 31.149 2.046 0.829 0.527 0.911 0.578 CB 1.327 46 residues pruned to eliminate duplicates Z: 9 8.292 2.013 1.031 0.415 0.625 0.500 CA 1.255 Z: 9 10.541 1.759 1.150 0.450 0.750 0.500 CB 1.382 9 residues pruned to eliminate duplicates Z: 16 19.719 2.104 0.774 0.578 0.867 0.733 CB 1.460 16 residues pruned to eliminate duplicates Z: 20 30.133 2.098 0.676 0.877 0.947 0.632 CB 1.508 20 residues pruned to eliminate duplicates Z: 54 54.965 2.253 1.206 0.602 0.925 0.604 CB 1.491 54 residues pruned to eliminate duplicates Z: 25 20.973 2.170 0.629 0.462 0.875 0.625 CB 1.439 25 residues pruned to eliminate duplicates Z: 12 11.332 1.999 0.477 0.431 1.000 0.545 CB 1.242 12 residues pruned to eliminate duplicates Z: 7 7.151 1.806 0.412 0.762 0.833 0.333 CA 1.089 Z: 26 28.353 2.114 0.294 0.944 1.000 1.000 CB 1.436 26 residues pruned to eliminate duplicates Z: 43 34.166 2.137 0.790 0.612 0.905 0.595 CB 1.369 86 residues pruned to eliminate duplicates Z: 25 47.453 2.219 1.211 0.936 0.958 0.667 CB 1.435 25 residues pruned to eliminate duplicates Z: 56 43.603 2.178 0.757 0.580 0.964 0.709 CB 1.476 56 residues pruned to eliminate duplicates Z: 16 34.009 2.337 0.727 0.903 1.000 0.867 CB 1.551 16 residues pruned to eliminate duplicates Z: 42 27.466 2.054 0.727 0.449 0.902 0.537 CB 1.412 42 residues pruned to eliminate duplicates Z: 24 19.927 2.002 0.610 0.585 0.957 0.522 CB 1.242 24 residues pruned to eliminate duplicates Z: 41 17.478 1.861 0.648 0.405 0.850 0.475 CB 1.171 41 residues pruned to eliminate duplicates Z: 60 32.399 2.051 0.746 0.557 0.898 0.610 CB 1.241 75 residues pruned to eliminate duplicates Z: 26 31.959 2.295 0.835 0.464 1.000 0.560 CB 1.574 26 residues pruned to eliminate duplicates Z: 9 14.818 2.027 0.546 0.853 0.875 0.625 CB 1.412 9 residues pruned to eliminate duplicates Z: 42 39.118 2.224 0.847 0.643 0.902 0.683 CB 1.441 42 residues pruned to eliminate duplicates Z: 48 37.044 2.176 0.718 0.612 0.915 0.617 CB 1.420 48 residues pruned to eliminate duplicates Z: 34 29.702 1.934 0.900 0.559 1.000 0.515 CB 1.329 34 residues pruned to eliminate duplicates Z: 19 28.323 2.230 0.747 0.918 0.889 0.722 CB 1.360 19 residues pruned to eliminate duplicates Z: 17 39.324 2.331 1.003 0.915 1.000 0.750 CB 1.488 17 residues pruned to eliminate duplicates Z: 39 38.131 2.119 0.996 0.709 0.895 0.526 CB 1.352 48 residues pruned to eliminate duplicates Z: 10 12.242 2.007 0.973 0.664 0.667 0.667 CB 1.328 10 residues pruned to eliminate duplicates Z: 6 13.428 1.901 0.638 0.809 1.000 0.800 CA 1.473 7 residues pruned to eliminate duplicates Z: 19 33.541 2.187 0.604 0.904 1.000 0.778 CB 1.605 Z: 24 35.888 2.279 0.624 0.930 0.957 0.826 CB 1.479 24 residues pruned to eliminate duplicates Z: 24 58.267 2.292 1.456 0.962 1.000 0.435 CB 1.476 24 residues pruned to eliminate duplicates Z: 18 10.587 1.905 0.731 0.301 0.824 0.353 CB 1.180 18 residues pruned to eliminate duplicates Z: 95 44.274 2.076 0.668 0.527 0.926 0.628 CB 1.388 95 residues pruned to eliminate duplicates Z: 43 25.828 1.918 0.750 0.463 0.929 0.619 CB 1.327 43 residues pruned to eliminate duplicates Z: 42 27.515 1.978 0.738 0.488 0.927 0.488 CB 1.365 42 residues pruned to eliminate duplicates Z: 8 4.207 1.394 0.158 0.688 0.714 0.429 CB 1.161 7 residues pruned to eliminate duplicates Z: 47 43.325 2.175 1.099 0.617 0.891 0.543 CB 1.406 47 residues pruned to eliminate duplicates Z: 9 15.140 2.135 1.001 0.502 0.875 0.750 CB 1.429 9 residues pruned to eliminate duplicates Z: 17 26.605 2.143 0.560 0.917 0.938 0.750 CB 1.498 17 residues pruned to eliminate duplicates Z: 8 5.593 1.617 0.032 0.602 0.857 0.714 C 1.341 Z: 11 22.485 1.917 0.891 0.889 1.000 0.800 CA 1.412 11 residues pruned to eliminate duplicates Z: 110 55.370 2.089 0.841 0.534 0.917 0.550 CB 1.454 110 residues pruned to eliminate duplicates Z: 7 2.273 1.868 -0.122 0.675 0.833 0.500 CB 0.578 Z: 19 26.892 2.242 0.422 0.954 1.000 1.000 CB 1.368 19 residues pruned to eliminate duplicates 6 1.533 1.454 0.077 0.298 0.800 0.400 N 0.686 ? Z: 6 7.418 1.834 0.337 0.463 1.000 1.000 CB 1.405 Z: 10 5.373 1.780 -0.089 0.359 1.000 0.333 CB 1.285 7 residues pruned to eliminate duplicates Z: 10 4.386 1.741 0.466 0.158 0.778 0.444 CA 1.118 Z: 44 24.809 2.064 0.563 0.449 0.884 0.535 CB 1.399 44 residues pruned to eliminate duplicates Z: 9 6.061 1.708 0.008 0.527 0.875 0.625 CB 1.385 Z: 8 5.491 1.816 0.193 0.517 0.857 0.571 CB 1.100 8 residues pruned to eliminate duplicates Z: 51 40.919 2.223 0.754 0.597 0.940 0.700 CB 1.438 51 residues pruned to eliminate duplicates Z: 7 5.813 1.937 -0.169 0.394 1.000 0.667 O 1.648 6 residues pruned to eliminate duplicates Z: 25 22.245 2.230 0.651 0.404 0.875 0.500 CB 1.559 25 residues pruned to eliminate duplicates Z: 40 20.794 1.883 0.671 0.466 0.949 0.513 CB 1.155 40 residues pruned to eliminate duplicates Z: 10 16.293 1.948 0.345 0.924 1.000 1.000 CB 1.457 10 residues pruned to eliminate duplicates Z: 6 9.754 1.780 0.920 0.702 1.000 1.000 CB 1.062 Z: 25 36.504 2.100 1.091 0.913 0.917 0.333 CB 1.310 25 residues pruned to eliminate duplicates Z: 24 49.127 2.176 1.328 0.963 1.000 0.739 CB 1.382 24 residues pruned to eliminate duplicates Z: 23 22.465 2.018 0.692 0.635 0.955 0.591 CB 1.294 23 residues pruned to eliminate duplicates Z: 60 50.568 2.250 0.789 0.590 0.949 0.695 CB 1.581 79 residues pruned to eliminate duplicates Z: 92 48.945 2.133 0.750 0.550 0.923 0.571 CB 1.418 92 residues pruned to eliminate duplicates Z: 8 14.256 1.836 0.989 0.789 1.000 0.857 CA 1.144 Z: 9 18.524 2.016 0.921 0.713 0.875 0.875 CA 1.593 10 residues pruned to eliminate duplicates Z: 16 16.771 2.016 0.827 0.512 0.867 0.733 CB 1.341 16 residues pruned to eliminate duplicates Z: 13 26.042 2.218 0.919 0.607 1.000 0.750 CB 1.595 13 residues pruned to eliminate duplicates Z: 20 31.683 2.257 0.707 0.856 0.947 0.632 CB 1.469 20 residues pruned to eliminate duplicates Z: 9 2.882 1.529 0.991 0.234 0.625 0.250 CB 0.730 9 residues pruned to eliminate duplicates Z: 62 53.462 2.271 0.919 0.590 0.918 0.672 CB 1.569 72 residues pruned to eliminate duplicates 6 1.744 1.886 0.076 0.584 0.800 0.400 CB 0.443 ? Z: 34 28.886 2.134 0.603 0.548 0.909 0.636 CB 1.543 Z: 11 19.878 2.090 0.798 0.528 1.000 0.700 CA 1.628 11 residues pruned to eliminate duplicates Z: 25 58.568 2.288 1.506 0.953 0.958 0.583 CB 1.497 25 residues pruned to eliminate duplicates Z: 19 28.483 2.189 0.537 0.857 1.000 0.722 CB 1.471 22 residues pruned to eliminate duplicates Z: 10 5.535 1.758 0.209 0.560 0.889 0.667 CB 0.922 10 residues pruned to eliminate duplicates Z: 17 34.675 2.176 0.806 0.908 1.000 0.812 CB 1.566 16 residues pruned to eliminate duplicates Z: 20 17.385 2.007 0.250 0.850 0.895 0.684 CB 1.316 20 residues pruned to eliminate duplicates Z: 49 33.075 2.102 0.760 0.509 0.958 0.521 CB 1.335 49 residues pruned to eliminate duplicates Z: 38 34.230 2.102 0.886 0.572 0.946 0.676 CB 1.400 38 residues pruned to eliminate duplicates Z: 11 19.288 1.987 0.692 0.896 0.900 0.600 CB 1.443 11 residues pruned to eliminate duplicates Z: 11 15.635 1.942 0.183 0.794 1.000 0.600 CB 1.662 11 residues pruned to eliminate duplicates Z: 49 38.089 2.054 0.995 0.581 0.917 0.562 CB 1.354 49 residues pruned to eliminate duplicates Z: 15 27.513 2.172 0.594 0.917 1.000 0.857 CB 1.499 15 residues pruned to eliminate duplicates Z: 8 3.952 1.796 0.092 0.424 0.714 0.429 CB 1.153 9 residues pruned to eliminate duplicates Z: 44 33.494 2.076 0.754 0.524 0.953 0.535 CB 1.436 44 residues pruned to eliminate duplicates Z: 38 28.261 1.962 0.674 0.565 0.973 0.649 CB 1.365 38 residues pruned to eliminate duplicates Z: 6 3.972 1.704 0.449 0.787 0.800 0.200 CB 0.699 6 residues pruned to eliminate duplicates Z: 27 20.456 1.910 0.791 0.536 0.885 0.577 CB 1.280 27 residues pruned to eliminate duplicates Z: 16 41.600 2.284 1.099 0.905 1.000 0.800 CB 1.594 16 residues pruned to eliminate duplicates Z: 25 18.890 1.759 0.766 0.586 0.958 0.583 CB 1.193 25 residues pruned to eliminate duplicates Z: 9 22.752 2.058 1.206 0.883 0.875 0.750 CB 1.463 9 residues pruned to eliminate duplicates Z: 9 5.736 1.779 0.450 0.508 0.625 0.625 CA 1.248 9 residues pruned to eliminate duplicates Z: 23 18.224 1.947 0.734 0.638 0.909 0.636 CB 1.113 23 residues pruned to eliminate duplicates Z: 21 10.314 1.862 0.700 0.260 0.850 0.450 CB 1.127 21 residues pruned to eliminate duplicates Z: 40 40.295 2.256 0.816 0.671 0.923 0.718 CB 1.457 40 residues pruned to eliminate duplicates Z: 24 39.163 2.138 1.098 0.951 0.957 0.522 CB 1.311 24 residues pruned to eliminate duplicates Z: 8 5.679 1.698 0.131 0.607 0.857 0.857 CB 1.178 8 residues pruned to eliminate duplicates Z: 33 19.469 1.929 0.664 0.463 0.938 0.469 CB 1.187 33 residues pruned to eliminate duplicates Z: 12 6.660 1.810 0.560 0.490 0.727 0.545 CB 0.987 Z: 47 48.651 2.327 0.870 0.599 0.935 0.696 CB 1.605 47 residues pruned to eliminate duplicates Z: 27 38.298 2.091 0.845 0.895 1.000 0.692 CB 1.396 27 residues pruned to eliminate duplicates Z: 25 40.448 2.247 0.652 0.914 1.000 0.875 CB 1.574 25 residues pruned to eliminate duplicates Z: 10 9.356 1.860 0.584 0.395 0.889 0.444 CB 1.331 10 residues pruned to eliminate duplicates Z: 63 55.427 2.260 0.815 0.619 0.984 0.742 CB 1.558 95 residues pruned to eliminate duplicates Z: 9 7.406 1.719 -0.038 0.718 0.875 0.875 O 1.485 Z: 25 25.271 2.234 0.685 0.485 0.875 0.625 CA 1.590 25 residues pruned to eliminate duplicates Z: 55 42.756 2.133 0.860 0.543 0.944 0.611 CB 1.489 49 residues pruned to eliminate duplicates Z: 40 17.281 1.892 0.484 0.465 0.897 0.462 CB 1.138 40 residues pruned to eliminate duplicates Z: 89 52.060 2.234 0.756 0.612 0.898 0.625 CB 1.418 165 residues pruned to eliminate duplicates Z: 6 6.454 1.700 0.725 0.452 0.800 0.600 CA 1.292 6 residues pruned to eliminate duplicates Z: 45 29.467 1.949 0.730 0.461 0.932 0.568 CB 1.472 45 residues pruned to eliminate duplicates 8 1.589 1.353 0.605 0.300 0.571 0.429 CA 0.605 ? Z: 19 27.716 2.241 0.299 0.910 1.000 0.944 CB 1.591 Z: 19 30.457 2.235 0.629 0.854 1.000 0.556 CB 1.455 19 residues pruned to eliminate duplicates Z: 40 28.467 2.011 0.657 0.608 0.949 0.615 CA 1.301 40 residues pruned to eliminate duplicates Z: 40 23.753 1.990 0.657 0.525 0.923 0.564 CB 1.219 40 residues pruned to eliminate duplicates Z: 41 33.462 2.193 0.659 0.640 0.875 0.700 CB 1.458 32 residues pruned to eliminate duplicates Z: 7 14.359 2.252 1.407 0.596 1.000 0.833 CB 0.986 Z: 47 46.339 2.204 1.151 0.608 0.913 0.565 CB 1.424 47 residues pruned to eliminate duplicates Z: 9 12.884 1.974 0.635 0.860 0.875 0.750 CB 1.186 Z: 8 4.407 1.756 -0.255 0.527 0.857 0.714 O 1.445 Z: 37 27.022 1.964 0.904 0.469 0.917 0.528 CB 1.356 46 residues pruned to eliminate duplicates Z: 10 8.155 1.755 0.599 0.452 0.889 0.333 CA 1.145 10 residues pruned to eliminate duplicates Z: 23 22.977 2.101 0.248 0.934 1.000 0.909 CB 1.303 23 residues pruned to eliminate duplicates Z: 16 31.963 2.161 0.754 0.878 1.000 0.800 CB 1.581 16 residues pruned to eliminate duplicates Z: 38 37.983 2.208 0.807 0.678 0.946 0.703 CB 1.405 38 residues pruned to eliminate duplicates Z: 43 33.117 1.945 0.852 0.490 0.952 0.571 CB 1.504 43 residues pruned to eliminate duplicates Z: 46 47.851 2.216 1.203 0.589 0.911 0.444 CB 1.473 46 residues pruned to eliminate duplicates Z: 26 46.891 2.180 1.251 0.925 0.960 0.440 CB 1.397 26 residues pruned to eliminate duplicates Z: 23 11.150 1.703 0.750 0.360 0.773 0.364 CB 1.200 Z: 23 27.036 2.210 0.530 0.778 0.909 0.773 CB 1.468 23 residues pruned to eliminate duplicates Z: 10 11.509 1.884 0.404 0.840 0.889 0.222 CB 1.217 10 residues pruned to eliminate duplicates Z: 7 2.154 1.675 0.810 0.232 0.500 0.333 CB 0.793 7 residues pruned to eliminate duplicates Z: 14 20.215 2.204 0.940 0.461 0.846 0.615 CB 1.612 Z: 49 38.920 2.096 0.906 0.545 0.958 0.542 CB 1.405 49 residues pruned to eliminate duplicates Z: 11 21.877 2.091 0.977 0.702 0.900 0.900 CB 1.548 11 residues pruned to eliminate duplicates Z: 48 31.876 2.091 0.620 0.518 0.936 0.574 CB 1.440 48 residues pruned to eliminate duplicates 7 1.662 1.350 -0.106 0.559 0.667 0.500 CB 0.796 ? Z: 11 15.304 1.976 0.660 0.542 1.000 0.500 CA 1.416 Z: 16 11.515 1.824 0.636 0.447 0.867 0.667 CB 1.214 16 residues pruned to eliminate duplicates Z: 52 27.154 2.004 0.616 0.469 0.902 0.510 CB 1.344 52 residues pruned to eliminate duplicates Z: 7 5.023 1.544 0.324 0.813 1.000 0.667 CB 0.763 Z: 16 24.321 2.042 1.026 0.856 0.933 0.133 CB 1.199 16 residues pruned to eliminate duplicates Z: 6 2.854 1.388 0.954 0.440 0.600 0.600 N 0.834 Z: 42 41.146 2.150 1.207 0.647 0.854 0.439 CB 1.382 42 residues pruned to eliminate duplicates Z: 21 15.911 2.177 0.795 0.343 0.850 0.400 CB 1.270 21 residues pruned to eliminate duplicates Z: 7 4.992 1.678 0.123 0.482 1.000 0.667 CB 1.102 7 residues pruned to eliminate duplicates Z: 6 5.197 1.881 -0.200 0.626 1.000 0.600 N 1.371 7 residues pruned to eliminate duplicates Z: 8 9.634 1.827 0.431 0.844 1.000 0.857 CB 1.036 8 residues pruned to eliminate duplicates Z: 13 12.321 1.798 0.505 0.587 1.000 0.583 CB 1.209 13 residues pruned to eliminate duplicates Z: 8 4.795 1.530 0.645 0.388 0.857 0.714 CB 0.946 Z: 8 22.203 2.149 0.945 0.908 1.000 0.857 CB 1.426 8 residues pruned to eliminate duplicates Z: 30 28.449 2.033 0.553 0.695 0.931 0.655 CB 1.504 30 residues pruned to eliminate duplicates Z: 17 31.823 2.261 0.491 0.890 1.000 0.812 CB 1.698 40 residues pruned to eliminate duplicates Z: 16 20.517 2.074 0.784 0.537 0.933 0.600 CB 1.480 16 residues pruned to eliminate duplicates Z: 16 14.120 1.845 0.899 0.368 0.867 0.667 CA 1.383 16 residues pruned to eliminate duplicates 412 residues left after pruning, divided into chains as follows: A: 199 B: 8 C: 7 D: 40 E: 9 F: 149 CC for partial structure against native data = 39.48 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.486, Connect. = 0.733 for dens.mod. cycle 1 = 0.300, Contrast = 0.573, Connect. = 0.766 for dens.mod. cycle 2 = 0.300, Contrast = 0.698, Connect. = 0.796 for dens.mod. cycle 3 = 0.300, Contrast = 0.721, Connect. = 0.799 for dens.mod. cycle 4 = 0.300, Contrast = 0.742, Connect. = 0.802 for dens.mod. cycle 5 = 0.300, Contrast = 0.751, Connect. = 0.803 for dens.mod. cycle 6 = 0.300, Contrast = 0.760, Connect. = 0.805 for dens.mod. cycle 7 = 0.300, Contrast = 0.764, Connect. = 0.806 for dens.mod. cycle 8 = 0.300, Contrast = 0.769, Connect. = 0.807 for dens.mod. cycle 9 = 0.300, Contrast = 0.770, Connect. = 0.807 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2239 peaks > 0.5 sigma used to seed fragment search Space for about 608 unique residues taking solvent into account 537 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 39.262 2.361 0.711 0.866 0.947 0.842 CB 1.723 B: 40 35.240 2.158 0.689 0.527 1.000 0.615 CB 1.507 C: 63 43.205 2.233 0.638 0.549 0.952 0.629 CB 1.503 D: 35 34.126 2.075 0.666 0.699 0.971 0.676 CB 1.455 E: 26 35.381 2.253 1.043 0.507 0.960 0.680 CB 1.590 F: 20 51.415 2.459 1.087 0.943 1.000 0.737 CB 1.592 G: 26 32.704 2.308 0.709 0.518 0.960 0.640 CA 1.696 25 residues pruned to eliminate duplicates H: 62 43.861 2.244 0.647 0.546 0.967 0.689 CB 1.503 71 residues pruned to eliminate duplicates I: 40 30.532 2.131 0.589 0.481 1.000 0.564 CB 1.472 40 residues pruned to eliminate duplicates J: 20 27.543 2.216 0.523 0.883 0.947 0.842 CB 1.429 20 residues pruned to eliminate duplicates K: 21 39.596 2.288 0.951 0.915 0.900 0.700 CB 1.557 21 residues pruned to eliminate duplicates L: 13 19.007 2.350 0.721 0.514 0.833 0.750 CB 1.606 13 residues pruned to eliminate duplicates M: 19 38.287 2.353 0.769 0.878 1.000 0.722 CB 1.573 20 residues pruned to eliminate duplicates N: 51 41.930 2.134 0.873 0.536 0.960 0.580 CB 1.491 26 residues pruned to eliminate duplicates O: 24 50.146 2.399 0.971 0.954 0.957 0.652 CB 1.590 19 residues pruned to eliminate duplicates P: 24 46.923 2.322 0.873 0.942 1.000 0.478 CB 1.560 Q: 42 29.101 2.139 0.523 0.455 0.976 0.585 CB 1.497 42 residues pruned to eliminate duplicates R: 9 19.917 2.305 0.547 0.687 1.000 1.000 CB 1.663 S: 26 44.118 2.245 0.814 0.940 0.960 0.600 CB 1.568 26 residues pruned to eliminate duplicates T: 26 35.553 2.254 0.422 0.942 1.000 0.800 CB 1.538 26 residues pruned to eliminate duplicates U: 42 34.147 2.077 0.766 0.636 0.902 0.683 CB 1.418 44 residues pruned to eliminate duplicates V: 29 29.262 2.296 0.749 0.450 0.964 0.679 CB 1.503 29 residues pruned to eliminate duplicates W: 23 27.964 2.384 0.775 0.432 0.864 0.591 CB 1.750 23 residues pruned to eliminate duplicates X: 53 48.309 2.353 0.759 0.569 0.923 0.577 CB 1.641 67 residues pruned to eliminate duplicates Y: 8 17.317 2.191 0.618 0.877 0.857 0.714 CB 1.565 Z: 15 29.179 2.523 0.735 0.506 1.000 0.714 CB 1.770 15 residues pruned to eliminate duplicates Z: 9 21.276 2.190 0.708 0.871 1.000 0.750 CB 1.467 8 residues pruned to eliminate duplicates Z: 25 56.277 2.354 0.984 0.925 1.000 0.708 CA 1.726 24 residues pruned to eliminate duplicates Z: 26 45.744 2.294 0.749 0.930 1.000 0.960 CB 1.595 25 residues pruned to eliminate duplicates Z: 25 33.424 2.165 0.641 0.893 0.958 0.792 CB 1.438 Z: 19 22.296 2.005 0.816 0.574 0.889 0.667 CB 1.512 17 residues pruned to eliminate duplicates Z: 24 33.392 2.229 0.463 0.930 1.000 0.826 CB 1.493 24 residues pruned to eliminate duplicates Z: 9 19.463 2.199 0.403 0.891 1.000 0.750 CB 1.604 9 residues pruned to eliminate duplicates Z: 25 51.836 2.337 1.077 0.959 0.958 0.458 CB 1.558 26 residues pruned to eliminate duplicates Z: 24 44.753 2.342 0.877 0.951 1.000 0.913 CB 1.463 25 residues pruned to eliminate duplicates Z: 16 27.128 2.173 0.497 0.921 0.933 0.800 CB 1.622 16 residues pruned to eliminate duplicates Z: 24 55.721 2.385 1.060 0.949 1.000 0.783 CB 1.632 24 residues pruned to eliminate duplicates Z: 16 30.194 2.222 0.505 0.923 1.000 0.800 CA 1.638 16 residues pruned to eliminate duplicates Z: 20 36.711 2.336 0.608 0.882 1.000 0.789 CB 1.623 20 residues pruned to eliminate duplicates Z: 20 34.953 2.332 0.587 0.861 0.947 0.737 CB 1.681 20 residues pruned to eliminate duplicates Z: 20 37.814 2.234 0.746 0.902 0.947 0.737 CB 1.674 20 residues pruned to eliminate duplicates Z: 13 30.297 2.455 0.592 0.926 1.000 0.917 CB 1.569 13 residues pruned to eliminate duplicates Z: 33 29.493 2.174 0.864 0.462 0.906 0.594 CB 1.476 34 residues pruned to eliminate duplicates Z: 25 32.152 2.282 0.279 0.920 1.000 0.875 CA 1.582 25 residues pruned to eliminate duplicates Z: 26 49.261 2.282 0.923 0.933 1.000 0.560 CB 1.567 24 residues pruned to eliminate duplicates Z: 19 25.247 2.021 0.610 0.845 0.889 0.722 CB 1.530 19 residues pruned to eliminate duplicates Z: 25 51.267 2.376 0.786 0.944 1.000 0.875 CB 1.708 25 residues pruned to eliminate duplicates Z: 26 51.087 2.253 1.069 0.932 0.960 0.760 CB 1.594 26 residues pruned to eliminate duplicates Z: 53 33.789 2.119 0.723 0.487 0.923 0.538 CB 1.409 Z: 81 49.345 2.130 0.843 0.558 0.887 0.550 CB 1.497 89 residues pruned to eliminate duplicates Z: 26 36.305 2.352 0.936 0.557 0.960 0.680 CB 1.572 26 residues pruned to eliminate duplicates Z: 9 17.960 2.158 0.539 0.886 1.000 0.750 CB 1.379 9 residues pruned to eliminate duplicates Z: 73 40.349 2.156 0.733 0.461 0.917 0.500 CB 1.444 35 residues pruned to eliminate duplicates Z: 51 33.503 2.113 0.657 0.572 0.860 0.660 CB 1.468 51 residues pruned to eliminate duplicates Z: 10 21.959 2.128 0.600 0.913 1.000 0.778 CB 1.521 10 residues pruned to eliminate duplicates Z: 121 52.926 2.144 0.741 0.547 0.883 0.617 CB 1.400 110 residues pruned to eliminate duplicates Z: 25 37.754 2.303 0.486 0.942 1.000 0.875 CB 1.561 25 residues pruned to eliminate duplicates Z: 25 48.238 2.308 0.915 0.936 1.000 0.792 CB 1.551 25 residues pruned to eliminate duplicates Z: 24 37.799 2.203 0.781 0.943 0.957 0.826 CB 1.456 24 residues pruned to eliminate duplicates Z: 14 17.453 2.390 0.614 0.458 0.769 0.615 CA 1.704 14 residues pruned to eliminate duplicates Z: 45 21.866 1.906 0.617 0.450 0.886 0.523 CB 1.270 45 residues pruned to eliminate duplicates Z: 23 52.647 2.378 0.974 0.939 1.000 0.864 CB 1.661 23 residues pruned to eliminate duplicates Z: 40 30.159 2.116 0.662 0.465 0.974 0.590 CB 1.460 40 residues pruned to eliminate duplicates Z: 18 25.298 2.134 0.515 0.862 0.941 0.941 CB 1.481 Z: 10 24.965 2.095 0.900 0.911 1.000 0.778 CB 1.483 13 residues pruned to eliminate duplicates Z: 25 52.182 2.269 1.210 0.907 0.958 0.417 CB 1.575 26 residues pruned to eliminate duplicates Z: 62 44.764 2.321 0.733 0.562 0.902 0.590 CB 1.488 62 residues pruned to eliminate duplicates Z: 10 15.336 2.003 0.379 0.844 1.000 0.667 CB 1.376 10 residues pruned to eliminate duplicates Z: 24 27.839 2.170 0.511 0.893 0.913 0.826 CB 1.392 24 residues pruned to eliminate duplicates Z: 31 24.734 2.194 0.785 0.429 0.833 0.667 CB 1.490 31 residues pruned to eliminate duplicates Z: 19 23.077 2.073 0.320 0.877 1.000 0.722 CB 1.443 19 residues pruned to eliminate duplicates Z: 20 35.041 2.386 0.579 0.956 1.000 1.000 CB 1.465 20 residues pruned to eliminate duplicates Z: 25 35.759 2.149 0.686 0.930 1.000 0.792 CB 1.409 25 residues pruned to eliminate duplicates Z: 24 56.244 2.400 1.025 0.958 1.000 0.478 CB 1.656 24 residues pruned to eliminate duplicates Z: 21 27.822 2.358 0.865 0.422 0.950 0.700 CB 1.616 21 residues pruned to eliminate duplicates Z: 10 20.321 2.085 0.573 0.909 1.000 0.667 CB 1.466 10 residues pruned to eliminate duplicates Z: 25 48.937 2.343 0.805 0.931 0.958 0.625 CB 1.723 25 residues pruned to eliminate duplicates Z: 16 41.709 2.463 1.027 0.940 0.933 0.800 CB 1.604 16 residues pruned to eliminate duplicates Z: 18 33.908 2.361 0.517 0.903 1.000 0.706 CB 1.636 18 residues pruned to eliminate duplicates Z: 48 35.866 2.146 0.799 0.481 0.936 0.511 CB 1.474 48 residues pruned to eliminate duplicates Z: 58 42.151 2.226 0.719 0.555 0.895 0.667 CB 1.546 58 residues pruned to eliminate duplicates Z: 20 33.924 2.334 0.569 0.895 0.947 0.842 CB 1.608 20 residues pruned to eliminate duplicates Z: 96 51.317 2.181 0.673 0.568 0.926 0.653 CB 1.459 88 residues pruned to eliminate duplicates Z: 21 25.977 2.117 0.506 0.811 0.950 0.800 CA 1.463 21 residues pruned to eliminate duplicates Z: 17 32.921 2.316 0.788 0.892 0.938 0.750 CB 1.523 17 residues pruned to eliminate duplicates Z: 21 54.450 2.359 1.302 0.940 1.000 0.500 CB 1.557 21 residues pruned to eliminate duplicates Z: 10 17.127 2.069 0.364 0.868 1.000 0.556 CB 1.479 10 residues pruned to eliminate duplicates Z: 48 29.647 2.081 0.601 0.443 0.915 0.468 CB 1.504 48 residues pruned to eliminate duplicates Z: 46 33.813 2.120 0.609 0.604 0.911 0.733 CB 1.469 46 residues pruned to eliminate duplicates Z: 10 23.364 2.114 0.798 0.856 1.000 0.667 CB 1.510 10 residues pruned to eliminate duplicates Z: 50 31.751 2.076 0.664 0.433 0.918 0.531 CB 1.533 50 residues pruned to eliminate duplicates Z: 9 15.350 1.990 0.935 0.599 1.000 0.875 CA 1.283 9 residues pruned to eliminate duplicates Z: 27 27.869 2.241 0.882 0.449 0.885 0.615 CB 1.543 27 residues pruned to eliminate duplicates Z: 63 45.653 2.225 0.709 0.533 0.952 0.661 CB 1.552 63 residues pruned to eliminate duplicates Z: 18 23.594 2.063 0.421 0.854 0.941 0.765 CB 1.532 18 residues pruned to eliminate duplicates Z: 24 24.194 2.297 0.638 0.454 0.913 0.565 CB 1.540 24 residues pruned to eliminate duplicates Z: 40 43.278 2.253 0.951 0.635 0.923 0.615 CB 1.505 40 residues pruned to eliminate duplicates Z: 25 45.588 2.198 1.050 0.957 1.000 0.542 CB 1.417 25 residues pruned to eliminate duplicates Z: 82 52.386 2.236 0.676 0.594 0.951 0.654 CB 1.494 82 residues pruned to eliminate duplicates Z: 15 30.924 2.298 0.854 0.934 1.000 0.786 CB 1.353 15 residues pruned to eliminate duplicates Z: 21 29.892 2.215 0.569 0.863 0.950 0.850 CB 1.485 21 residues pruned to eliminate duplicates Z: 27 27.989 2.258 1.051 0.429 0.808 0.808 CB 1.580 27 residues pruned to eliminate duplicates Z: 63 42.983 2.183 0.593 0.558 0.968 0.677 CB 1.534 81 residues pruned to eliminate duplicates Z: 11 11.797 1.898 0.805 0.468 0.800 0.700 CB 1.406 11 residues pruned to eliminate duplicates Z: 23 47.278 2.268 1.086 0.955 1.000 0.591 CB 1.465 23 residues pruned to eliminate duplicates Z: 17 29.581 2.179 0.539 0.915 1.000 0.938 CB 1.559 Z: 46 17.340 1.915 0.531 0.381 0.822 0.422 CB 1.217 46 residues pruned to eliminate duplicates Z: 25 43.027 2.145 1.042 0.923 0.958 0.583 CB 1.470 25 residues pruned to eliminate duplicates Z: 12 18.310 2.274 0.188 0.889 0.909 0.818 CB 1.618 12 residues pruned to eliminate duplicates Z: 15 28.947 2.239 0.803 0.924 0.929 0.500 CB 1.450 15 residues pruned to eliminate duplicates Z: 10 19.232 2.015 0.798 0.872 0.889 0.778 CB 1.451 10 residues pruned to eliminate duplicates Z: 46 41.413 2.233 0.663 0.605 0.956 0.667 CB 1.574 46 residues pruned to eliminate duplicates Z: 22 40.015 2.267 0.769 0.955 1.000 0.905 CB 1.496 22 residues pruned to eliminate duplicates Z: 60 45.601 2.207 0.629 0.611 0.966 0.780 CB 1.538 60 residues pruned to eliminate duplicates Z: 26 58.664 2.273 1.257 0.955 1.000 0.480 CB 1.572 26 residues pruned to eliminate duplicates Z: 21 24.400 2.202 0.355 0.853 0.950 0.700 CB 1.423 21 residues pruned to eliminate duplicates Z: 20 21.548 2.248 0.850 0.432 0.895 0.684 CB 1.426 20 residues pruned to eliminate duplicates Z: 17 29.475 2.147 0.625 0.913 0.938 0.938 CB 1.595 17 residues pruned to eliminate duplicates Z: 25 40.226 2.440 0.851 0.498 1.000 0.667 CB 1.822 25 residues pruned to eliminate duplicates Z: 38 27.504 2.020 0.632 0.435 0.946 0.459 CB 1.551 38 residues pruned to eliminate duplicates Z: 11 19.053 1.982 0.614 0.849 1.000 0.600 CA 1.396 11 residues pruned to eliminate duplicates Z: 26 45.776 2.277 1.007 0.947 0.920 0.440 CB 1.505 26 residues pruned to eliminate duplicates Z: 94 53.665 2.201 0.785 0.548 0.914 0.570 CB 1.478 94 residues pruned to eliminate duplicates Z: 59 48.530 2.237 0.674 0.586 0.966 0.655 CB 1.623 76 residues pruned to eliminate duplicates Z: 25 34.315 2.287 0.521 0.945 0.958 0.792 CB 1.455 25 residues pruned to eliminate duplicates Z: 32 19.845 1.937 0.550 0.537 0.871 0.452 CB 1.315 32 residues pruned to eliminate duplicates Z: 56 36.452 2.140 0.588 0.558 0.927 0.655 CB 1.473 56 residues pruned to eliminate duplicates Z: 39 31.522 2.085 0.808 0.508 0.947 0.526 CB 1.420 39 residues pruned to eliminate duplicates Z: 40 20.175 1.956 0.573 0.439 0.872 0.410 CB 1.283 40 residues pruned to eliminate duplicates Z: 56 49.467 2.351 0.833 0.561 0.927 0.564 CB 1.573 56 residues pruned to eliminate duplicates Z: 27 13.834 1.832 0.390 0.443 0.923 0.615 CB 1.224 27 residues pruned to eliminate duplicates Z: 47 38.826 2.114 0.809 0.534 0.957 0.609 CB 1.513 47 residues pruned to eliminate duplicates Z: 17 30.768 2.210 0.480 0.919 1.000 0.938 CB 1.657 Z: 17 23.824 2.052 0.451 0.896 1.000 0.625 CB 1.433 17 residues pruned to eliminate duplicates Z: 17 12.052 1.906 0.479 0.467 0.938 0.688 CB 1.179 17 residues pruned to eliminate duplicates Z: 20 39.421 2.372 0.671 0.892 1.000 0.684 CB 1.639 20 residues pruned to eliminate duplicates Z: 11 14.194 1.920 0.576 0.611 0.900 0.800 CA 1.484 11 residues pruned to eliminate duplicates Z: 23 27.835 2.185 0.398 0.926 0.955 0.682 CB 1.427 23 residues pruned to eliminate duplicates Z: 23 34.947 2.214 0.756 0.939 0.955 0.773 CB 1.395 23 residues pruned to eliminate duplicates Z: 19 31.126 2.330 0.510 0.847 0.944 0.722 CB 1.639 19 residues pruned to eliminate duplicates Z: 26 40.273 2.335 0.892 0.538 1.000 0.640 CB 1.756 26 residues pruned to eliminate duplicates Z: 24 40.905 2.345 0.554 0.931 1.000 0.783 CB 1.636 24 residues pruned to eliminate duplicates Z: 10 16.551 2.101 0.320 0.906 1.000 1.000 CA 1.416 10 residues pruned to eliminate duplicates Z: 17 33.537 2.157 0.762 0.941 0.938 0.812 CA 1.632 17 residues pruned to eliminate duplicates Z: 17 29.505 2.170 0.661 0.878 0.938 0.812 CB 1.585 16 residues pruned to eliminate duplicates Z: 18 27.380 2.135 0.608 0.889 0.941 0.882 CB 1.479 18 residues pruned to eliminate duplicates Z: 25 34.556 2.271 0.437 0.933 1.000 0.917 CB 1.508 25 residues pruned to eliminate duplicates Z: 84 56.182 2.191 0.835 0.601 0.952 0.663 CB 1.464 84 residues pruned to eliminate duplicates Z: 38 31.619 2.079 0.685 0.524 0.973 0.432 CB 1.490 37 residues pruned to eliminate duplicates Z: 10 7.964 2.099 0.113 0.798 0.889 0.556 CB 0.984 10 residues pruned to eliminate duplicates Z: 26 43.738 2.273 0.863 0.940 0.920 0.400 CB 1.559 26 residues pruned to eliminate duplicates Z: 24 30.230 2.210 0.278 0.951 1.000 0.870 CB 1.539 24 residues pruned to eliminate duplicates Z: 35 37.694 2.347 0.703 0.644 0.941 0.588 CB 1.502 35 residues pruned to eliminate duplicates Z: 46 49.348 2.288 1.090 0.613 0.889 0.467 CB 1.555 46 residues pruned to eliminate duplicates Z: 14 12.503 1.769 0.758 0.426 0.923 0.846 CB 1.303 14 residues pruned to eliminate duplicates Z: 24 39.549 2.168 0.927 0.946 0.957 0.391 CB 1.427 24 residues pruned to eliminate duplicates Z: 51 31.933 2.015 0.865 0.559 0.860 0.500 CB 1.320 42 residues pruned to eliminate duplicates Z: 95 47.731 2.172 0.661 0.559 0.883 0.585 CB 1.460 95 residues pruned to eliminate duplicates Z: 26 31.370 2.315 0.819 0.487 0.920 0.560 CB 1.640 26 residues pruned to eliminate duplicates Z: 25 13.948 1.730 0.482 0.640 0.958 0.625 CB 1.016 Z: 12 12.017 1.865 0.368 0.813 0.818 0.364 CB 1.322 12 residues pruned to eliminate duplicates Z: 17 27.998 2.174 0.439 0.914 1.000 0.875 CB 1.582 17 residues pruned to eliminate duplicates Z: 38 31.903 2.024 0.774 0.681 0.946 0.649 CB 1.308 38 residues pruned to eliminate duplicates Z: 6 4.396 1.527 0.211 0.712 0.800 0.400 CA 1.097 6 residues pruned to eliminate duplicates Z: 123 65.977 2.216 0.724 0.603 0.918 0.623 CB 1.544 123 residues pruned to eliminate duplicates Z: 40 31.005 2.091 0.696 0.514 0.949 0.538 CB 1.455 40 residues pruned to eliminate duplicates Z: 60 56.786 2.311 0.892 0.577 0.949 0.559 CB 1.655 60 residues pruned to eliminate duplicates Z: 8 12.568 2.026 0.064 0.882 1.000 1.000 CA 1.596 8 residues pruned to eliminate duplicates Z: 24 26.904 2.179 0.301 0.953 1.000 1.000 CB 1.362 24 residues pruned to eliminate duplicates Z: 24 40.177 2.248 0.778 0.955 0.957 0.783 CB 1.506 24 residues pruned to eliminate duplicates Z: 24 42.750 2.213 1.060 0.960 0.957 0.435 CB 1.400 24 residues pruned to eliminate duplicates Z: 64 50.612 2.238 0.894 0.590 0.937 0.730 CB 1.473 64 residues pruned to eliminate duplicates Z: 62 28.901 2.072 0.524 0.542 0.836 0.623 CB 1.345 62 residues pruned to eliminate duplicates Z: 46 24.704 1.931 0.683 0.519 0.911 0.467 CB 1.220 70 residues pruned to eliminate duplicates Z: 25 40.167 2.311 0.579 0.916 0.958 0.875 CA 1.657 25 residues pruned to eliminate duplicates Z: 12 16.207 2.084 0.494 0.623 1.000 0.818 CB 1.398 Z: 44 27.303 1.980 0.687 0.486 0.953 0.488 CB 1.327 44 residues pruned to eliminate duplicates Z: 10 17.967 2.105 0.550 0.894 0.889 0.556 CA 1.480 10 residues pruned to eliminate duplicates Z: 10 16.533 2.090 0.529 0.875 0.889 0.556 CB 1.412 10 residues pruned to eliminate duplicates Z: 26 18.741 2.051 0.570 0.412 0.840 0.560 CB 1.519 26 residues pruned to eliminate duplicates Z: 20 34.062 2.335 0.635 0.871 0.947 0.684 CB 1.576 20 residues pruned to eliminate duplicates Z: 14 21.091 2.129 1.064 0.623 0.923 0.769 CB 1.284 14 residues pruned to eliminate duplicates Z: 12 8.743 1.879 0.451 0.538 0.818 0.636 CB 1.138 11 residues pruned to eliminate duplicates Z: 10 11.420 1.926 0.304 0.840 0.889 0.778 CB 1.273 10 residues pruned to eliminate duplicates Z: 60 37.500 2.170 0.734 0.503 0.915 0.661 CB 1.413 60 residues pruned to eliminate duplicates Z: 23 21.584 2.016 0.474 0.781 0.909 0.682 CB 1.331 23 residues pruned to eliminate duplicates Z: 23 38.347 2.231 0.818 0.953 1.000 0.636 CB 1.387 23 residues pruned to eliminate duplicates Z: 13 19.336 2.293 0.771 0.502 0.833 0.667 CB 1.646 13 residues pruned to eliminate duplicates Z: 32 25.077 2.022 0.619 0.481 1.000 0.645 CB 1.403 32 residues pruned to eliminate duplicates Z: 51 42.608 2.171 0.789 0.555 0.980 0.680 CB 1.501 51 residues pruned to eliminate duplicates Z: 39 21.603 2.054 0.554 0.403 0.816 0.447 CB 1.491 39 residues pruned to eliminate duplicates Z: 19 21.817 2.009 0.405 0.867 0.944 0.778 CB 1.411 19 residues pruned to eliminate duplicates Z: 40 33.547 2.076 0.715 0.501 0.974 0.564 CB 1.547 40 residues pruned to eliminate duplicates Z: 17 28.736 2.177 0.565 0.911 0.938 0.625 CB 1.594 17 residues pruned to eliminate duplicates Z: 36 26.169 1.984 0.704 0.518 0.914 0.543 CB 1.405 36 residues pruned to eliminate duplicates Z: 17 12.415 1.931 0.573 0.493 0.938 0.500 CB 1.098 17 residues pruned to eliminate duplicates Z: 40 32.557 2.083 0.710 0.508 0.974 0.590 CB 1.491 40 residues pruned to eliminate duplicates Z: 37 29.414 2.082 0.387 0.692 0.944 0.722 CB 1.508 37 residues pruned to eliminate duplicates Z: 48 32.657 2.066 0.707 0.498 0.915 0.553 CB 1.480 48 residues pruned to eliminate duplicates Z: 20 23.035 2.183 0.741 0.737 0.842 0.789 CB 1.335 20 residues pruned to eliminate duplicates Z: 130 64.453 2.238 0.831 0.564 0.884 0.527 CB 1.472 92 residues pruned to eliminate duplicates Z: 53 32.956 2.101 0.619 0.496 0.904 0.481 CB 1.493 53 residues pruned to eliminate duplicates Z: 63 46.091 2.226 0.628 0.590 0.968 0.726 CB 1.531 81 residues pruned to eliminate duplicates Z: 20 28.456 2.342 0.237 0.876 0.947 0.684 CB 1.729 20 residues pruned to eliminate duplicates Z: 7 11.378 1.717 0.877 0.629 1.000 0.500 CA 1.277 7 residues pruned to eliminate duplicates Z: 24 38.050 2.284 0.623 0.962 1.000 1.000 CB 1.464 24 residues pruned to eliminate duplicates Z: 10 15.867 2.036 0.459 0.893 1.000 0.778 CB 1.278 10 residues pruned to eliminate duplicates Z: 42 38.319 2.220 0.747 0.629 0.927 0.610 CB 1.474 42 residues pruned to eliminate duplicates Z: 29 19.050 2.092 0.643 0.418 0.821 0.571 CB 1.388 29 residues pruned to eliminate duplicates Z: 26 51.347 2.256 1.137 0.933 0.960 0.440 CB 1.548 26 residues pruned to eliminate duplicates Z: 24 54.091 2.265 1.365 0.957 0.913 0.478 CB 1.583 24 residues pruned to eliminate duplicates Z: 9 17.543 2.087 0.529 0.838 1.000 0.625 CB 1.453 9 residues pruned to eliminate duplicates Z: 27 29.338 2.113 0.684 0.590 1.000 0.538 CB 1.483 27 residues pruned to eliminate duplicates Z: 34 19.929 1.961 0.613 0.476 0.909 0.545 CB 1.236 34 residues pruned to eliminate duplicates Z: 20 38.494 2.349 0.746 0.841 0.947 0.737 CB 1.694 20 residues pruned to eliminate duplicates Z: 17 31.549 2.210 0.521 0.934 1.000 0.750 CB 1.637 Z: 28 26.053 2.180 0.842 0.441 0.889 0.370 CB 1.493 28 residues pruned to eliminate duplicates Z: 34 41.404 2.258 0.777 0.716 0.909 0.758 CB 1.624 34 residues pruned to eliminate duplicates Z: 40 31.446 2.120 0.650 0.536 0.949 0.641 CB 1.465 40 residues pruned to eliminate duplicates Z: 41 33.472 2.088 0.663 0.667 0.975 0.675 CB 1.340 41 residues pruned to eliminate duplicates Z: 12 15.426 2.059 0.727 0.486 0.909 0.545 CB 1.459 12 residues pruned to eliminate duplicates Z: 66 45.157 2.207 0.752 0.587 0.892 0.631 CB 1.493 66 residues pruned to eliminate duplicates Z: 10 7.616 1.898 0.661 0.399 0.778 0.444 CB 1.152 10 residues pruned to eliminate duplicates Z: 9 6.592 1.875 0.439 0.371 0.750 0.625 CB 1.322 9 residues pruned to eliminate duplicates Z: 25 51.350 2.312 1.226 0.957 0.958 0.500 CB 1.458 25 residues pruned to eliminate duplicates Z: 17 30.607 2.152 0.667 0.886 0.938 0.625 CB 1.642 17 residues pruned to eliminate duplicates Z: 19 26.751 2.170 0.453 0.837 0.944 0.611 CB 1.583 19 residues pruned to eliminate duplicates Z: 10 3.665 1.715 -0.251 0.473 0.778 0.778 N 1.257 Z: 11 17.564 1.938 0.912 0.854 0.800 0.700 CB 1.384 11 residues pruned to eliminate duplicates Z: 47 34.372 2.111 0.643 0.517 0.935 0.587 CB 1.537 47 residues pruned to eliminate duplicates Z: 15 32.862 2.212 1.142 0.914 0.929 0.429 CB 1.412 15 residues pruned to eliminate duplicates Z: 85 56.492 2.191 0.811 0.609 0.929 0.464 CB 1.509 85 residues pruned to eliminate duplicates Z: 7 4.441 1.827 -0.289 0.372 1.000 0.333 O 1.601 Z: 24 38.046 2.235 0.750 0.926 0.957 0.652 CB 1.487 24 residues pruned to eliminate duplicates Z: 28 31.203 2.174 0.619 0.685 0.889 0.778 CB 1.620 25 residues pruned to eliminate duplicates Z: 63 46.359 2.225 0.691 0.583 0.935 0.613 CB 1.544 63 residues pruned to eliminate duplicates Z: 19 24.154 2.054 0.369 0.874 1.000 0.667 CB 1.473 19 residues pruned to eliminate duplicates Z: 18 29.645 2.109 0.758 0.919 0.941 0.706 CB 1.452 18 residues pruned to eliminate duplicates Z: 51 32.524 2.137 0.605 0.491 0.900 0.560 CB 1.504 51 residues pruned to eliminate duplicates Z: 58 34.690 2.129 0.663 0.485 0.930 0.579 CB 1.417 58 residues pruned to eliminate duplicates Z: 20 28.868 2.159 0.530 0.865 0.947 0.737 CB 1.550 20 residues pruned to eliminate duplicates Z: 18 21.502 2.051 0.903 0.533 0.941 0.706 CB 1.375 18 residues pruned to eliminate duplicates Z: 26 26.320 2.169 0.811 0.402 0.840 0.560 CB 1.768 26 residues pruned to eliminate duplicates Z: 10 6.199 1.877 0.490 0.225 0.667 0.333 CA 1.528 10 residues pruned to eliminate duplicates Z: 8 3.381 1.616 0.308 0.271 0.857 0.571 CB 0.914 8 residues pruned to eliminate duplicates Z: 25 33.696 2.265 0.391 0.941 0.958 0.917 CB 1.582 25 residues pruned to eliminate duplicates Z: 20 30.926 2.351 0.331 0.952 1.000 1.000 CB 1.561 20 residues pruned to eliminate duplicates Z: 16 26.990 2.121 0.506 0.915 1.000 0.800 CB 1.541 16 residues pruned to eliminate duplicates Z: 30 22.845 2.213 0.548 0.432 0.862 0.552 CB 1.541 30 residues pruned to eliminate duplicates Z: 7 7.584 2.131 0.381 0.461 0.833 0.500 CB 1.314 7 residues pruned to eliminate duplicates Z: 24 27.842 2.308 0.861 0.459 0.870 0.696 CB 1.621 24 residues pruned to eliminate duplicates Z: 52 34.086 2.109 0.659 0.490 0.941 0.549 CB 1.465 52 residues pruned to eliminate duplicates Z: 22 36.530 2.237 0.687 0.953 1.000 0.667 CB 1.454 22 residues pruned to eliminate duplicates Z: 23 22.002 2.237 0.552 0.399 0.955 0.500 CB 1.575 23 residues pruned to eliminate duplicates Z: 26 49.505 2.234 1.248 0.922 0.960 0.440 CB 1.444 26 residues pruned to eliminate duplicates Z: 23 24.564 2.064 0.653 0.621 1.000 0.545 CB 1.369 23 residues pruned to eliminate duplicates Z: 46 30.721 2.118 0.641 0.449 0.933 0.556 CB 1.488 46 residues pruned to eliminate duplicates Z: 22 14.556 1.867 0.446 0.538 1.000 0.571 CB 1.134 22 residues pruned to eliminate duplicates Z: 13 18.488 2.216 0.740 0.509 0.917 0.833 CB 1.496 13 residues pruned to eliminate duplicates Z: 21 36.732 2.215 0.975 0.922 0.900 0.500 CB 1.466 21 residues pruned to eliminate duplicates Z: 10 25.169 2.106 0.889 0.907 1.000 0.667 CB 1.500 10 residues pruned to eliminate duplicates Z: 25 39.396 2.320 0.469 0.928 1.000 0.958 CA 1.652 25 residues pruned to eliminate duplicates Z: 42 39.066 2.298 0.710 0.644 0.927 0.610 CB 1.464 42 residues pruned to eliminate duplicates Z: 40 28.688 2.026 0.670 0.533 0.923 0.615 CB 1.424 40 residues pruned to eliminate duplicates Z: 35 25.255 2.141 0.648 0.442 0.941 0.559 CB 1.385 35 residues pruned to eliminate duplicates Z: 20 24.979 2.123 0.547 0.825 0.842 0.737 CB 1.563 20 residues pruned to eliminate duplicates Z: 16 29.156 2.181 0.658 0.928 0.933 0.733 CB 1.562 16 residues pruned to eliminate duplicates Z: 20 46.212 2.215 1.147 0.939 0.947 0.526 CB 1.635 20 residues pruned to eliminate duplicates Z: 20 35.799 2.345 0.563 0.870 1.000 0.684 CB 1.636 20 residues pruned to eliminate duplicates Z: 15 20.251 2.242 0.616 0.894 0.786 0.429 CB 1.364 15 residues pruned to eliminate duplicates Z: 29 42.821 2.398 0.888 0.728 0.929 0.679 CB 1.568 29 residues pruned to eliminate duplicates Z: 21 22.177 2.099 0.453 0.815 0.900 0.500 CB 1.375 21 residues pruned to eliminate duplicates Z: 52 35.383 2.140 0.718 0.477 0.922 0.510 CB 1.497 52 residues pruned to eliminate duplicates Z: 44 28.172 2.094 0.490 0.568 0.907 0.535 CB 1.422 43 residues pruned to eliminate duplicates Z: 14 10.547 2.117 0.664 0.439 0.692 0.538 CB 1.277 14 residues pruned to eliminate duplicates Z: 43 35.771 2.140 0.640 0.640 0.952 0.714 CB 1.449 77 residues pruned to eliminate duplicates Z: 13 6.105 1.703 0.344 0.382 0.750 0.500 CA 1.163 13 residues pruned to eliminate duplicates Z: 6 3.315 1.975 -0.536 0.685 1.000 0.600 CB 1.366 Z: 10 20.858 2.091 0.492 0.918 1.000 1.000 CB 1.571 10 residues pruned to eliminate duplicates Z: 12 8.860 1.889 0.413 0.324 1.000 0.364 CB 1.215 12 residues pruned to eliminate duplicates Z: 6 4.669 1.861 -0.279 0.744 1.000 0.800 O 1.252 Z: 81 49.287 2.265 0.666 0.625 0.887 0.550 CB 1.462 64 residues pruned to eliminate duplicates Z: 67 44.553 2.242 0.730 0.531 0.924 0.561 CB 1.484 67 residues pruned to eliminate duplicates Z: 60 44.755 2.273 0.765 0.554 0.864 0.593 CB 1.594 60 residues pruned to eliminate duplicates Z: 16 26.083 2.010 0.725 0.888 0.933 0.667 CA 1.498 16 residues pruned to eliminate duplicates Z: 10 13.353 2.282 0.061 0.885 1.000 0.889 CB 1.328 10 residues pruned to eliminate duplicates Z: 47 30.576 2.065 0.741 0.485 0.891 0.543 CB 1.428 47 residues pruned to eliminate duplicates Z: 24 45.867 2.227 1.122 0.951 0.957 0.478 CB 1.459 24 residues pruned to eliminate duplicates Z: 39 39.506 2.242 0.709 0.664 0.947 0.605 CB 1.517 39 residues pruned to eliminate duplicates Z: 19 25.980 2.022 0.594 0.844 0.944 0.778 CB 1.497 19 residues pruned to eliminate duplicates Z: 31 29.030 2.067 0.665 0.575 0.967 0.700 CB 1.483 31 residues pruned to eliminate duplicates Z: 19 34.383 2.343 0.509 0.911 1.000 0.722 CB 1.624 19 residues pruned to eliminate duplicates Z: 14 15.463 2.149 0.700 0.528 0.846 0.769 CB 1.350 14 residues pruned to eliminate duplicates Z: 44 32.602 2.156 0.619 0.487 0.930 0.465 CB 1.550 44 residues pruned to eliminate duplicates Z: 20 24.652 1.993 0.642 0.843 0.947 0.737 CB 1.358 Z: 12 14.794 1.975 0.361 0.726 0.909 0.727 CB 1.490 12 residues pruned to eliminate duplicates Z: 18 29.327 2.316 0.269 0.897 1.000 0.824 CA 1.732 18 residues pruned to eliminate duplicates Z: 9 5.712 1.846 -0.002 0.535 0.875 0.625 CB 1.210 Z: 11 14.229 1.925 1.012 0.457 0.900 0.400 CB 1.348 11 residues pruned to eliminate duplicates Z: 13 19.283 2.096 0.611 0.622 1.000 0.667 CB 1.469 Z: 7 6.739 1.813 -0.225 0.786 1.000 0.833 CB 1.522 7 residues pruned to eliminate duplicates Z: 11 19.044 1.955 1.161 0.617 0.900 0.700 CB 1.418 Z: 14 30.352 2.090 1.003 0.887 0.923 0.615 CB 1.572 14 residues pruned to eliminate duplicates Z: 23 52.813 2.365 1.159 0.940 0.955 0.409 CB 1.604 23 residues pruned to eliminate duplicates Z: 24 17.355 2.065 0.648 0.355 0.913 0.435 CB 1.362 35 residues pruned to eliminate duplicates Z: 8 3.074 1.529 -0.135 0.454 0.857 0.571 N 1.074 Z: 26 32.335 2.301 0.783 0.524 0.920 0.720 CB 1.673 26 residues pruned to eliminate duplicates Z: 43 30.673 2.020 0.681 0.492 0.929 0.595 CB 1.513 50 residues pruned to eliminate duplicates Z: 22 24.139 2.049 0.455 0.790 0.952 0.762 CB 1.438 22 residues pruned to eliminate duplicates Z: 16 31.317 2.191 0.786 0.896 0.933 0.733 CB 1.587 16 residues pruned to eliminate duplicates Z: 25 27.200 2.101 0.392 0.911 0.958 0.708 CB 1.404 25 residues pruned to eliminate duplicates Z: 10 27.547 2.155 0.975 0.910 1.000 0.556 CB 1.530 10 residues pruned to eliminate duplicates Z: 21 19.635 2.109 0.725 0.535 0.850 0.550 CB 1.372 21 residues pruned to eliminate duplicates Z: 24 45.052 2.232 1.106 0.934 0.957 0.261 CB 1.457 24 residues pruned to eliminate duplicates Z: 7 3.478 1.459 0.237 0.363 0.833 0.333 C 1.093 Z: 25 35.608 2.454 0.591 0.521 1.000 0.542 CB 1.823 25 residues pruned to eliminate duplicates Z: 14 9.858 1.860 0.320 0.428 0.846 0.692 CB 1.418 14 residues pruned to eliminate duplicates Z: 12 23.837 2.333 0.779 0.442 1.000 0.545 C 1.838 12 residues pruned to eliminate duplicates Z: 32 15.182 1.823 0.608 0.434 0.839 0.581 CB 1.187 32 residues pruned to eliminate duplicates Z: 13 28.060 2.392 0.838 0.574 1.000 0.750 CB 1.716 Z: 9 3.881 1.666 0.137 0.473 0.750 0.500 CB 0.992 Z: 6 11.906 2.080 0.896 0.765 1.000 0.800 CB 1.068 Z: 92 56.507 2.215 0.854 0.574 0.912 0.516 CB 1.473 84 residues pruned to eliminate duplicates Z: 6 8.292 1.877 0.710 0.437 0.800 0.600 CA 1.541 6 residues pruned to eliminate duplicates Z: 63 43.572 2.184 0.706 0.592 0.919 0.726 CB 1.479 83 residues pruned to eliminate duplicates Z: 37 28.881 2.085 0.572 0.633 0.972 0.694 CB 1.333 37 residues pruned to eliminate duplicates Z: 16 31.094 2.245 0.818 0.898 0.933 0.533 CB 1.508 16 residues pruned to eliminate duplicates Z: 10 20.405 2.025 0.816 0.898 0.889 0.667 CA 1.489 10 residues pruned to eliminate duplicates Z: 38 30.983 2.049 0.752 0.501 0.973 0.514 CB 1.458 38 residues pruned to eliminate duplicates Z: 7 5.788 1.818 -0.049 0.664 0.833 0.667 CB 1.409 8 residues pruned to eliminate duplicates Z: 72 38.424 2.093 0.640 0.552 0.915 0.592 CB 1.380 38 residues pruned to eliminate duplicates Z: 19 12.862 1.973 0.565 0.363 0.889 0.611 CB 1.280 19 residues pruned to eliminate duplicates Z: 6 2.938 1.721 0.101 0.558 0.800 0.600 CB 0.819 Z: 15 11.476 1.790 0.402 0.566 1.000 0.786 CB 1.146 Z: 18 28.987 2.031 0.875 0.887 0.941 0.588 CB 1.414 18 residues pruned to eliminate duplicates Z: 17 30.644 2.176 0.611 0.908 1.000 0.875 CA 1.552 Z: 7 6.013 1.374 0.696 0.692 0.833 0.333 C 1.061 7 residues pruned to eliminate duplicates Z: 6 7.835 1.898 0.908 0.843 0.800 0.400 CA 0.901 6 residues pruned to eliminate duplicates Z: 20 14.092 1.906 0.454 0.478 0.947 0.474 CB 1.260 13 residues pruned to eliminate duplicates Z: 20 50.481 2.421 1.064 0.940 1.000 0.526 CB 1.610 20 residues pruned to eliminate duplicates Z: 43 22.430 1.894 0.670 0.506 0.929 0.452 CB 1.171 65 residues pruned to eliminate duplicates Z: 92 42.731 2.183 0.665 0.513 0.868 0.571 CB 1.402 92 residues pruned to eliminate duplicates Z: 20 27.472 2.313 0.342 0.865 0.947 0.684 CB 1.570 20 residues pruned to eliminate duplicates Z: 109 61.930 2.232 0.952 0.596 0.870 0.546 CB 1.434 122 residues pruned to eliminate duplicates Z: 8 7.549 1.512 0.507 0.896 1.000 1.000 CB 0.897 Z: 8 10.875 1.909 0.733 0.697 0.857 0.714 CB 1.211 Z: 44 26.633 2.078 0.586 0.416 0.884 0.419 CB 1.523 44 residues pruned to eliminate duplicates Z: 6 10.034 1.776 0.581 0.819 1.000 0.600 CA 1.212 6 residues pruned to eliminate duplicates Z: 8 5.750 1.780 0.153 0.312 0.857 0.571 N 1.521 Z: 7 4.482 1.753 -0.073 0.658 0.833 0.667 CB 1.168 7 residues pruned to eliminate duplicates Z: 40 27.103 2.037 0.506 0.545 0.897 0.564 CA 1.508 40 residues pruned to eliminate duplicates Z: 6 7.421 1.564 0.601 0.797 1.000 0.800 CA 1.022 6 residues pruned to eliminate duplicates Z: 23 20.041 1.894 0.733 0.620 0.864 0.545 CB 1.346 23 residues pruned to eliminate duplicates Z: 7 5.756 1.590 0.527 0.814 0.833 0.500 CB 0.884 7 residues pruned to eliminate duplicates Z: 16 21.137 2.085 0.820 0.516 1.000 0.733 CB 1.415 13 residues pruned to eliminate duplicates Z: 15 26.416 2.117 0.524 0.923 1.000 0.929 CB 1.539 15 residues pruned to eliminate duplicates Z: 54 39.544 2.133 0.864 0.628 0.887 0.491 CB 1.366 31 residues pruned to eliminate duplicates Z: 7 9.508 1.749 0.720 0.558 1.000 0.833 CA 1.219 Z: 39 37.131 2.175 0.635 0.653 0.947 0.737 CB 1.550 39 residues pruned to eliminate duplicates Z: 30 18.517 1.998 0.861 0.408 0.793 0.552 CB 1.284 30 residues pruned to eliminate duplicates Z: 9 13.042 2.003 0.772 0.865 0.875 0.500 CB 1.088 9 residues pruned to eliminate duplicates Z: 24 40.286 2.307 1.125 0.536 1.000 0.739 CB 1.654 7 residues pruned to eliminate duplicates Z: 6 5.599 1.702 0.275 0.564 0.800 0.600 CB 1.356 Z: 28 8.169 1.475 0.454 0.405 0.852 0.407 CB 0.951 8 residues pruned to eliminate duplicates Z: 48 38.293 2.124 0.845 0.621 0.872 0.468 CB 1.458 53 residues pruned to eliminate duplicates Z: 30 21.310 2.031 0.607 0.471 0.862 0.621 CB 1.449 30 residues pruned to eliminate duplicates Z: 48 39.323 2.203 0.757 0.592 0.915 0.681 CB 1.483 48 residues pruned to eliminate duplicates Z: 6 2.921 1.589 -0.221 0.469 1.000 0.600 N 1.089 Z: 6 2.597 1.975 0.677 0.726 1.000 0.800 CB 0.286 Z: 7 5.013 1.743 -0.298 0.783 1.000 0.833 O 1.304 Z: 27 21.006 2.116 0.503 0.409 0.885 0.615 CB 1.611 27 residues pruned to eliminate duplicates Z: 8 4.415 1.608 0.008 0.651 1.000 0.714 CB 0.894 10 residues pruned to eliminate duplicates Z: 8 4.819 1.675 -0.339 0.598 1.000 0.714 N 1.498 Z: 16 12.771 1.697 0.499 0.568 0.933 0.467 CB 1.299 16 residues pruned to eliminate duplicates Z: 9 4.572 1.660 -0.037 0.481 0.875 0.625 CB 1.178 7 residues pruned to eliminate duplicates Z: 8 8.235 1.588 0.411 0.843 1.000 0.429 CB 1.034 8 residues pruned to eliminate duplicates Z: 36 33.709 2.210 0.789 0.614 0.886 0.686 CB 1.461 36 residues pruned to eliminate duplicates Z: 20 29.844 2.166 0.543 0.860 0.947 0.684 CB 1.590 17 residues pruned to eliminate duplicates Z: 8 12.905 1.960 1.265 0.408 0.857 0.714 CB 1.412 8 residues pruned to eliminate duplicates Z: 41 23.494 2.036 0.603 0.445 0.900 0.525 CB 1.338 41 residues pruned to eliminate duplicates Z: 10 9.715 1.637 0.585 0.530 1.000 0.667 CB 1.211 10 residues pruned to eliminate duplicates Z: 8 2.802 1.629 0.416 0.101 0.714 0.143 CB 1.069 8 residues pruned to eliminate duplicates Z: 40 27.523 1.992 0.689 0.481 0.923 0.590 CB 1.446 40 residues pruned to eliminate duplicates Z: 12 7.037 1.580 0.372 0.679 1.000 0.727 CB 0.830 12 residues pruned to eliminate duplicates Z: 29 22.844 2.213 0.597 0.396 0.857 0.464 CB 1.590 29 residues pruned to eliminate duplicates Z: 27 15.462 2.016 0.490 0.373 0.846 0.500 CB 1.366 27 residues pruned to eliminate duplicates Z: 17 38.301 2.266 1.262 0.922 0.938 0.312 CB 1.401 17 residues pruned to eliminate duplicates 6 1.918 1.299 0.419 0.626 0.800 0.600 CB 0.517 ? Z: 7 2.636 1.745 0.068 0.220 0.667 0.667 CA 1.203 7 residues pruned to eliminate duplicates Z: 19 48.194 2.345 1.334 0.886 0.944 0.444 CB 1.586 19 residues pruned to eliminate duplicates Z: 9 26.411 2.184 1.148 0.923 0.875 0.750 CB 1.599 9 residues pruned to eliminate duplicates Z: 10 12.791 2.082 0.614 0.627 0.889 0.778 CB 1.267 10 residues pruned to eliminate duplicates Z: 6 7.755 1.519 0.975 0.892 1.000 1.000 CB 0.831 6 residues pruned to eliminate duplicates Z: 23 26.547 2.146 0.801 0.473 0.955 0.636 CB 1.577 23 residues pruned to eliminate duplicates Z: 9 17.984 2.121 0.472 0.918 1.000 1.000 CA 1.437 9 residues pruned to eliminate duplicates Z: 10 7.744 1.791 0.483 0.314 0.889 0.667 CB 1.343 10 residues pruned to eliminate duplicates Z: 6 12.219 1.885 1.106 0.707 0.800 0.400 CA 1.425 6 residues pruned to eliminate duplicates Z: 39 31.890 2.126 0.693 0.593 0.921 0.632 CB 1.427 25 residues pruned to eliminate duplicates Z: 6 4.074 1.785 0.652 0.296 0.800 0.600 CB 0.971 Z: 39 23.069 1.962 0.577 0.509 0.921 0.500 CB 1.301 39 residues pruned to eliminate duplicates Z: 40 42.753 2.205 1.062 0.674 0.872 0.359 CB 1.471 40 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 5.537 1.429 0.949 0.383 1.000 0.500 CA 0.919 7 residues pruned to eliminate duplicates Z: 84 50.880 2.200 0.772 0.582 0.916 0.687 CB 1.446 84 residues pruned to eliminate duplicates Z: 61 40.456 2.246 0.688 0.584 0.883 0.617 CB 1.438 61 residues pruned to eliminate duplicates Z: 37 43.813 2.340 0.817 0.682 0.944 0.694 CB 1.539 37 residues pruned to eliminate duplicates Z: 32 39.231 2.382 0.818 0.641 0.903 0.710 CB 1.578 32 residues pruned to eliminate duplicates Z: 75 50.363 2.233 0.760 0.557 0.919 0.568 CB 1.535 75 residues pruned to eliminate duplicates Z: 77 48.895 2.233 0.756 0.572 0.908 0.553 CB 1.470 77 residues pruned to eliminate duplicates Z: 32 39.826 2.381 0.836 0.659 0.903 0.645 CB 1.563 32 residues pruned to eliminate duplicates Z: 35 38.499 2.354 0.777 0.654 0.941 0.765 CB 1.454 35 residues pruned to eliminate duplicates Z: 46 43.046 2.308 0.779 0.612 0.911 0.733 CB 1.543 46 residues pruned to eliminate duplicates Z: 50 34.409 2.251 0.613 0.563 0.878 0.633 CB 1.451 50 residues pruned to eliminate duplicates Z: 130 71.471 2.232 0.881 0.597 0.907 0.612 CB 1.507 130 residues pruned to eliminate duplicates Z: 53 41.746 2.306 0.687 0.571 0.904 0.654 CB 1.538 53 residues pruned to eliminate duplicates Z: 54 45.104 2.295 0.835 0.603 0.887 0.679 CB 1.505 54 residues pruned to eliminate duplicates Z: 114 53.586 2.177 0.741 0.523 0.876 0.522 CB 1.484 223 residues pruned to eliminate duplicates Z: 25 43.470 2.301 0.741 0.938 1.000 0.958 CB 1.540 25 residues pruned to eliminate duplicates Z: 91 50.300 2.208 0.721 0.537 0.889 0.600 CB 1.513 91 residues pruned to eliminate duplicates Z: 38 47.441 2.337 0.925 0.673 0.946 0.649 CB 1.563 38 residues pruned to eliminate duplicates Z: 50 45.225 2.252 0.874 0.581 0.878 0.510 CB 1.613 50 residues pruned to eliminate duplicates Z: 51 41.902 2.246 0.846 0.565 0.880 0.520 CB 1.526 51 residues pruned to eliminate duplicates Z: 98 54.163 2.197 0.821 0.540 0.887 0.515 CB 1.491 98 residues pruned to eliminate duplicates Z: 30 47.797 2.356 1.076 0.685 0.931 0.448 CB 1.645 30 residues pruned to eliminate duplicates Z: 117 69.641 2.227 0.951 0.617 0.914 0.483 CB 1.457 117 residues pruned to eliminate duplicates Z: 84 56.180 2.208 0.870 0.585 0.928 0.554 CB 1.484 84 residues pruned to eliminate duplicates Z: 93 53.559 2.208 0.867 0.549 0.870 0.500 CB 1.485 93 residues pruned to eliminate duplicates Z: 55 49.895 2.264 1.006 0.630 0.907 0.537 CB 1.459 55 residues pruned to eliminate duplicates Z: 55 44.321 2.279 0.913 0.586 0.870 0.444 CB 1.463 55 residues pruned to eliminate duplicates Z: 48 39.979 2.250 0.833 0.604 0.851 0.404 CB 1.505 48 residues pruned to eliminate duplicates Z: 39 48.593 2.307 1.023 0.680 0.947 0.474 CB 1.511 39 residues pruned to eliminate duplicates Z: 92 49.733 2.169 0.781 0.538 0.890 0.484 CB 1.461 92 residues pruned to eliminate duplicates Z: 38 48.626 2.295 1.055 0.668 0.946 0.514 CB 1.534 38 residues pruned to eliminate duplicates Z: 61 51.133 2.248 1.029 0.586 0.900 0.500 CB 1.482 61 residues pruned to eliminate duplicates Z: 55 50.055 2.304 0.952 0.589 0.907 0.537 CB 1.532 55 residues pruned to eliminate duplicates Z: 56 45.820 2.272 0.895 0.573 0.891 0.527 CB 1.502 56 residues pruned to eliminate duplicates Z: 40 43.417 2.297 0.946 0.643 0.897 0.462 CB 1.517 40 residues pruned to eliminate duplicates Z: 63 49.044 2.219 0.942 0.572 0.903 0.484 CB 1.493 63 residues pruned to eliminate duplicates Z: 28 33.116 2.151 0.846 0.615 0.926 0.370 CB 1.555 28 residues pruned to eliminate duplicates Z: 60 43.707 2.253 0.873 0.568 0.898 0.542 CB 1.406 60 residues pruned to eliminate duplicates Z: 87 52.997 2.145 0.840 0.624 0.907 0.488 CB 1.421 87 residues pruned to eliminate duplicates Z: 28 26.611 2.158 0.704 0.627 0.852 0.519 CB 1.451 28 residues pruned to eliminate duplicates Z: 48 44.831 2.276 0.912 0.586 0.915 0.404 CB 1.513 48 residues pruned to eliminate duplicates Z: 46 49.576 2.294 1.025 0.631 0.889 0.533 CB 1.582 46 residues pruned to eliminate duplicates Z: 6 4.488 1.772 0.716 0.166 0.800 0.200 CA 1.240 6 residues pruned to eliminate duplicates Z: 101 55.774 2.248 0.890 0.485 0.910 0.460 CB 1.464 101 residues pruned to eliminate duplicates Z: 25 27.821 2.352 0.592 0.444 0.917 0.625 CA 1.753 25 residues pruned to eliminate duplicates Z: 27 33.952 2.387 0.723 0.500 0.962 0.692 CB 1.683 27 residues pruned to eliminate duplicates Z: 16 21.343 2.220 0.735 0.492 0.933 0.733 CB 1.545 16 residues pruned to eliminate duplicates Z: 75 37.136 2.174 0.566 0.441 0.892 0.595 CB 1.511 75 residues pruned to eliminate duplicates Z: 42 27.907 2.090 0.623 0.465 0.951 0.537 CB 1.399 70 residues pruned to eliminate duplicates Z: 63 40.898 2.240 0.603 0.514 0.903 0.565 CB 1.579 63 residues pruned to eliminate duplicates Z: 27 30.728 2.301 0.712 0.489 0.962 0.538 CB 1.609 27 residues pruned to eliminate duplicates Z: 108 63.833 2.243 0.852 0.576 0.907 0.514 CB 1.522 108 residues pruned to eliminate duplicates Z: 6 5.797 2.070 0.411 0.417 0.800 0.600 CA 1.209 6 residues pruned to eliminate duplicates Z: 69 43.574 2.227 0.550 0.504 0.941 0.559 CB 1.619 25 residues pruned to eliminate duplicates Z: 6 2.244 1.678 0.513 0.108 0.600 0.400 CB 1.083 6 residues pruned to eliminate duplicates Z: 62 46.276 2.266 0.709 0.547 0.934 0.672 CB 1.565 62 residues pruned to eliminate duplicates Z: 111 49.999 2.185 0.574 0.516 0.900 0.627 CB 1.517 111 residues pruned to eliminate duplicates Z: 14 13.603 2.234 0.512 0.336 0.923 0.308 CB 1.447 14 residues pruned to eliminate duplicates Z: 37 24.733 2.057 0.615 0.484 0.917 0.639 CB 1.375 37 residues pruned to eliminate duplicates Z: 26 32.971 2.413 0.657 0.440 1.000 0.560 CB 1.756 26 residues pruned to eliminate duplicates Z: 25 27.118 2.273 0.728 0.425 0.958 0.583 CB 1.590 25 residues pruned to eliminate duplicates Z: 63 42.494 2.243 0.673 0.551 0.919 0.613 CB 1.489 63 residues pruned to eliminate duplicates Z: 26 36.975 2.398 0.875 0.484 0.960 0.680 CB 1.741 26 residues pruned to eliminate duplicates Z: 45 30.950 2.059 0.741 0.510 0.955 0.545 CB 1.351 45 residues pruned to eliminate duplicates Z: 63 39.357 2.189 0.699 0.458 0.887 0.581 CB 1.581 63 residues pruned to eliminate duplicates Z: 114 55.870 2.179 0.715 0.528 0.912 0.558 CB 1.501 107 residues pruned to eliminate duplicates Z: 9 16.573 2.220 0.187 0.789 1.000 0.875 CB 1.725 9 residues pruned to eliminate duplicates Z: 57 37.565 2.102 0.678 0.484 0.946 0.554 CB 1.529 57 residues pruned to eliminate duplicates Z: 43 34.518 2.178 0.599 0.519 0.952 0.500 CB 1.576 43 residues pruned to eliminate duplicates Z: 11 23.884 2.168 0.792 0.719 1.000 0.700 CA 1.595 11 residues pruned to eliminate duplicates Z: 42 33.458 2.119 0.662 0.533 0.927 0.610 CB 1.549 42 residues pruned to eliminate duplicates Z: 46 32.261 2.120 0.659 0.503 0.911 0.556 CB 1.497 46 residues pruned to eliminate duplicates Z: 52 36.192 2.153 0.688 0.480 0.941 0.490 CB 1.511 52 residues pruned to eliminate duplicates Z: 49 33.971 2.131 0.678 0.486 0.917 0.500 CB 1.517 49 residues pruned to eliminate duplicates Z: 48 33.302 2.151 0.647 0.486 0.915 0.489 CB 1.520 48 residues pruned to eliminate duplicates Z: 57 29.930 2.062 0.613 0.463 0.875 0.464 CB 1.427 57 residues pruned to eliminate duplicates Z: 49 31.895 2.098 0.626 0.466 0.938 0.542 CB 1.490 49 residues pruned to eliminate duplicates Z: 62 36.733 2.115 0.662 0.463 0.918 0.541 CB 1.512 77 residues pruned to eliminate duplicates Z: 6 2.702 1.758 0.203 0.177 0.800 0.200 CB 1.055 6 residues pruned to eliminate duplicates Z: 49 31.436 2.072 0.640 0.467 0.938 0.542 CB 1.473 49 residues pruned to eliminate duplicates Z: 49 30.237 2.070 0.691 0.417 0.917 0.417 CB 1.484 49 residues pruned to eliminate duplicates Z: 40 29.729 2.092 0.660 0.501 0.923 0.538 CB 1.483 40 residues pruned to eliminate duplicates Z: 64 35.807 2.084 0.721 0.459 0.921 0.540 CB 1.425 64 residues pruned to eliminate duplicates Z: 50 33.250 2.092 0.621 0.482 0.959 0.449 CB 1.487 50 residues pruned to eliminate duplicates Z: 29 26.394 2.054 0.679 0.471 0.964 0.750 CB 1.544 29 residues pruned to eliminate duplicates Z: 51 35.083 2.140 0.721 0.466 0.940 0.480 CB 1.483 51 residues pruned to eliminate duplicates Z: 51 32.193 2.084 0.665 0.435 0.920 0.520 CB 1.526 51 residues pruned to eliminate duplicates Z: 52 36.473 2.145 0.702 0.486 0.941 0.549 CB 1.507 52 residues pruned to eliminate duplicates Z: 51 33.022 2.132 0.684 0.482 0.920 0.640 CB 1.440 51 residues pruned to eliminate duplicates Z: 47 28.529 2.089 0.576 0.486 0.848 0.565 CB 1.529 47 residues pruned to eliminate duplicates Z: 39 31.874 2.076 0.777 0.521 0.895 0.553 CB 1.534 39 residues pruned to eliminate duplicates Z: 116 72.879 2.265 0.894 0.509 0.948 0.617 CB 1.656 116 residues pruned to eliminate duplicates Z: 40 28.620 2.054 0.751 0.485 0.897 0.462 CB 1.442 40 residues pruned to eliminate duplicates Z: 51 33.857 2.136 0.670 0.459 0.940 0.600 CB 1.489 51 residues pruned to eliminate duplicates Z: 49 32.705 2.105 0.675 0.456 0.938 0.479 CB 1.494 49 residues pruned to eliminate duplicates Z: 52 30.872 2.080 0.705 0.465 0.902 0.549 CB 1.402 52 residues pruned to eliminate duplicates Z: 16 11.521 2.087 0.628 0.368 0.800 0.467 CB 1.261 16 residues pruned to eliminate duplicates Z: 80 47.312 2.180 0.756 0.541 0.899 0.608 CB 1.486 80 residues pruned to eliminate duplicates Z: 16 8.710 2.028 0.566 0.264 0.733 0.333 CB 1.263 16 residues pruned to eliminate duplicates Z: 16 7.232 1.791 0.403 0.241 0.667 0.333 CB 1.504 16 residues pruned to eliminate duplicates Z: 49 37.375 2.158 0.727 0.501 0.958 0.583 CB 1.509 49 residues pruned to eliminate duplicates Z: 60 39.742 2.119 0.739 0.501 0.915 0.525 CB 1.532 60 residues pruned to eliminate duplicates Z: 53 37.404 2.100 0.693 0.522 0.962 0.577 CB 1.485 53 residues pruned to eliminate duplicates Z: 8 4.887 1.645 0.537 0.212 0.857 0.429 CB 1.198 8 residues pruned to eliminate duplicates Z: 8 8.127 1.715 0.811 0.201 1.000 0.571 C 1.410 8 residues pruned to eliminate duplicates Z: 83 56.000 2.213 0.780 0.601 0.939 0.671 CB 1.519 83 residues pruned to eliminate duplicates Z: 57 40.773 2.245 0.695 0.593 0.875 0.714 CB 1.497 57 residues pruned to eliminate duplicates Z: 72 50.433 2.188 0.831 0.545 0.944 0.577 CB 1.515 72 residues pruned to eliminate duplicates Z: 70 44.456 2.209 0.829 0.556 0.855 0.667 CB 1.466 70 residues pruned to eliminate duplicates Z: 31 47.400 2.375 0.834 0.764 0.967 0.767 CB 1.626 31 residues pruned to eliminate duplicates Z: 84 45.956 2.182 0.831 0.480 0.867 0.578 CB 1.486 78 residues pruned to eliminate duplicates Z: 8 7.807 1.548 0.555 0.590 0.857 0.571 C 1.312 8 residues pruned to eliminate duplicates Z: 46 40.484 2.227 0.727 0.637 0.911 0.733 CB 1.515 46 residues pruned to eliminate duplicates Z: 41 41.442 2.267 0.759 0.668 0.925 0.725 CB 1.521 41 residues pruned to eliminate duplicates Z: 73 45.208 2.199 0.751 0.544 0.889 0.653 CB 1.491 61 residues pruned to eliminate duplicates Z: 20 37.857 2.348 0.756 0.942 1.000 0.895 CB 1.461 17 residues pruned to eliminate duplicates Z: 23 52.541 2.400 0.958 0.946 1.000 0.864 CB 1.648 19 residues pruned to eliminate duplicates Z: 17 43.222 2.394 0.948 0.911 1.000 0.688 CA 1.642 17 residues pruned to eliminate duplicates Z: 88 66.726 2.302 0.825 0.644 0.920 0.621 CB 1.618 35 residues pruned to eliminate duplicates Z: 22 51.214 2.413 0.909 0.956 1.000 0.667 CB 1.667 22 residues pruned to eliminate duplicates Z: 80 70.618 2.315 0.864 0.681 0.949 0.684 CB 1.642 80 residues pruned to eliminate duplicates Z: 91 51.335 2.166 0.765 0.573 0.922 0.578 CB 1.430 91 residues pruned to eliminate duplicates Z: 82 57.468 2.221 0.837 0.601 0.938 0.531 CB 1.514 49 residues pruned to eliminate duplicates Z: 15 49.811 2.445 1.274 0.944 1.000 0.357 CB 1.658 15 residues pruned to eliminate duplicates Z: 51 38.867 2.204 0.849 0.567 0.860 0.480 CB 1.470 51 residues pruned to eliminate duplicates Z: 67 55.928 2.326 0.975 0.586 0.879 0.530 CB 1.571 67 residues pruned to eliminate duplicates Z: 46 47.617 2.210 1.034 0.657 0.889 0.467 CB 1.536 46 residues pruned to eliminate duplicates Z: 102 60.841 2.199 0.850 0.570 0.931 0.584 CB 1.494 101 residues pruned to eliminate duplicates Z: 22 54.769 2.404 1.048 0.947 1.000 0.381 CB 1.677 22 residues pruned to eliminate duplicates Z: 87 60.213 2.266 0.865 0.608 0.907 0.593 CB 1.529 87 residues pruned to eliminate duplicates Z: 94 56.750 2.173 0.934 0.557 0.903 0.505 CB 1.466 94 residues pruned to eliminate duplicates Z: 78 67.283 2.300 0.956 0.671 0.935 0.558 CB 1.556 78 residues pruned to eliminate duplicates Z: 45 48.830 2.281 1.107 0.622 0.909 0.523 CB 1.501 45 residues pruned to eliminate duplicates Z: 47 45.460 2.233 1.043 0.599 0.891 0.391 CB 1.500 47 residues pruned to eliminate duplicates Z: 52 49.648 2.261 1.081 0.633 0.882 0.569 CB 1.478 52 residues pruned to eliminate duplicates Z: 89 56.678 2.201 0.926 0.554 0.909 0.489 CB 1.488 89 residues pruned to eliminate duplicates Z: 62 53.088 2.187 0.995 0.634 0.934 0.639 CB 1.470 62 residues pruned to eliminate duplicates Z: 83 51.880 2.162 0.820 0.548 0.927 0.622 CB 1.499 83 residues pruned to eliminate duplicates Z: 134 64.080 2.201 0.783 0.559 0.902 0.564 CB 1.482 134 residues pruned to eliminate duplicates Z: 51 27.697 2.076 0.586 0.474 0.860 0.560 CB 1.421 51 residues pruned to eliminate duplicates Z: 125 60.675 2.161 0.820 0.537 0.919 0.484 CB 1.453 125 residues pruned to eliminate duplicates Z: 25 19.952 1.978 0.586 0.556 0.917 0.625 CB 1.342 25 residues pruned to eliminate duplicates Z: 78 47.280 2.218 0.682 0.562 0.922 0.636 CB 1.475 78 residues pruned to eliminate duplicates Z: 94 50.333 2.191 0.717 0.529 0.903 0.634 CB 1.493 94 residues pruned to eliminate duplicates Z: 23 20.902 1.934 0.685 0.636 0.864 0.636 CB 1.393 23 residues pruned to eliminate duplicates Z: 39 32.738 2.116 0.793 0.524 0.895 0.632 CB 1.529 39 residues pruned to eliminate duplicates Z: 106 53.104 2.197 0.681 0.560 0.895 0.629 CB 1.479 106 residues pruned to eliminate duplicates Z: 52 34.043 2.146 0.627 0.471 0.941 0.490 CB 1.495 52 residues pruned to eliminate duplicates Z: 53 33.099 2.110 0.679 0.466 0.923 0.538 CB 1.452 53 residues pruned to eliminate duplicates Z: 53 34.158 2.138 0.672 0.481 0.923 0.481 CB 1.463 53 residues pruned to eliminate duplicates Z: 93 56.435 2.240 0.715 0.567 0.946 0.609 CB 1.518 93 residues pruned to eliminate duplicates Z: 46 32.766 2.131 0.725 0.503 0.889 0.622 CB 1.492 46 residues pruned to eliminate duplicates Z: 43 22.057 2.044 0.452 0.422 0.857 0.452 CB 1.451 43 residues pruned to eliminate duplicates Z: 39 34.951 2.110 0.834 0.530 0.947 0.605 CB 1.502 39 residues pruned to eliminate duplicates Z: 23 24.000 1.920 0.762 0.633 0.955 0.636 CB 1.398 23 residues pruned to eliminate duplicates Z: 40 29.560 2.118 0.755 0.536 0.872 0.462 CB 1.410 40 residues pruned to eliminate duplicates Z: 99 46.840 2.172 0.629 0.526 0.888 0.531 CB 1.469 99 residues pruned to eliminate duplicates Z: 39 36.178 2.148 0.912 0.539 0.921 0.553 CB 1.493 39 residues pruned to eliminate duplicates Z: 41 28.517 2.043 0.728 0.517 0.900 0.500 CB 1.394 41 residues pruned to eliminate duplicates Z: 41 30.875 2.031 0.759 0.475 0.950 0.425 CB 1.475 41 residues pruned to eliminate duplicates Z: 46 33.528 2.103 0.721 0.502 0.911 0.467 CB 1.512 46 residues pruned to eliminate duplicates Z: 35 24.051 1.977 0.661 0.512 0.882 0.588 CB 1.406 35 residues pruned to eliminate duplicates Z: 84 53.558 2.221 0.748 0.592 0.940 0.651 CB 1.475 84 residues pruned to eliminate duplicates Z: 45 35.915 2.138 0.775 0.506 0.955 0.545 CB 1.485 45 residues pruned to eliminate duplicates Z: 42 33.870 2.077 0.799 0.485 0.976 0.488 CB 1.472 42 residues pruned to eliminate duplicates Z: 42 34.312 2.079 0.816 0.477 0.927 0.488 CB 1.567 42 residues pruned to eliminate duplicates Z: 44 30.813 2.047 0.769 0.483 0.884 0.488 CB 1.493 44 residues pruned to eliminate duplicates Z: 44 21.494 2.050 0.594 0.384 0.837 0.442 CB 1.355 44 residues pruned to eliminate duplicates Z: 96 50.182 2.211 0.667 0.543 0.884 0.632 CB 1.514 96 residues pruned to eliminate duplicates Z: 86 50.503 2.234 0.699 0.556 0.906 0.612 CB 1.509 86 residues pruned to eliminate duplicates Z: 61 34.659 2.076 0.590 0.470 0.933 0.533 CB 1.498 61 residues pruned to eliminate duplicates Z: 9 14.123 2.204 0.859 0.462 0.750 0.625 CA 1.690 9 residues pruned to eliminate duplicates Z: 46 32.878 2.112 0.747 0.464 0.933 0.489 CB 1.476 46 residues pruned to eliminate duplicates Z: 41 30.950 2.072 0.705 0.522 0.950 0.600 CB 1.426 41 residues pruned to eliminate duplicates Z: 93 53.041 2.219 0.732 0.534 0.913 0.554 CB 1.523 93 residues pruned to eliminate duplicates Z: 95 54.098 2.208 0.757 0.535 0.904 0.585 CB 1.537 95 residues pruned to eliminate duplicates Z: 106 54.453 2.195 0.790 0.536 0.914 0.610 CB 1.428 106 residues pruned to eliminate duplicates Z: 37 19.952 2.048 0.583 0.416 0.833 0.417 CB 1.345 37 residues pruned to eliminate duplicates Z: 42 20.246 2.054 0.497 0.419 0.878 0.512 CB 1.274 42 residues pruned to eliminate duplicates Z: 51 37.639 2.266 0.613 0.598 0.900 0.600 CB 1.474 51 residues pruned to eliminate duplicates Z: 11 6.958 2.126 0.163 0.357 0.800 0.500 CB 1.297 11 residues pruned to eliminate duplicates Z: 53 32.205 2.092 0.627 0.514 0.904 0.500 CB 1.431 53 residues pruned to eliminate duplicates Z: 53 41.556 2.271 0.715 0.585 0.885 0.615 CB 1.541 53 residues pruned to eliminate duplicates Z: 12 10.177 1.870 0.816 0.479 0.818 0.545 CB 1.128 6 residues pruned to eliminate duplicates Z: 7 4.474 1.588 0.564 0.305 0.667 0.167 CB 1.370 7 residues pruned to eliminate duplicates Z: 57 49.180 2.259 0.752 0.589 0.982 0.679 CB 1.552 57 residues pruned to eliminate duplicates Z: 64 43.633 2.175 0.700 0.538 0.952 0.587 CB 1.504 64 residues pruned to eliminate duplicates Z: 58 39.841 2.203 0.625 0.543 0.965 0.719 CB 1.464 58 residues pruned to eliminate duplicates Z: 39 48.478 2.339 0.782 0.671 0.974 0.684 CB 1.655 39 residues pruned to eliminate duplicates Z: 43 40.329 2.178 0.700 0.677 0.905 0.714 CB 1.578 43 residues pruned to eliminate duplicates Z: 61 43.260 2.217 0.710 0.558 0.917 0.567 CB 1.518 61 residues pruned to eliminate duplicates Z: 42 36.920 2.181 0.662 0.620 0.976 0.610 CB 1.455 42 residues pruned to eliminate duplicates Z: 62 51.620 2.315 0.777 0.572 0.934 0.639 CB 1.604 50 residues pruned to eliminate duplicates Z: 6 4.895 1.594 0.614 0.354 1.000 0.800 C 0.997 6 residues pruned to eliminate duplicates Z: 45 42.497 2.257 0.736 0.606 0.977 0.614 CB 1.512 45 residues pruned to eliminate duplicates Z: 38 44.501 2.320 0.926 0.612 0.919 0.595 CB 1.603 38 residues pruned to eliminate duplicates Z: 41 45.879 2.353 0.718 0.653 0.975 0.725 CB 1.597 41 residues pruned to eliminate duplicates Z: 42 49.672 2.310 0.853 0.658 0.951 0.683 CB 1.644 42 residues pruned to eliminate duplicates Z: 35 40.450 2.244 0.851 0.592 0.941 0.588 CB 1.625 35 residues pruned to eliminate duplicates Z: 33 40.536 2.334 0.746 0.667 0.969 0.656 CB 1.556 33 residues pruned to eliminate duplicates Z: 37 31.280 2.228 0.626 0.658 0.889 0.556 CB 1.399 37 residues pruned to eliminate duplicates Z: 33 40.528 2.306 0.819 0.615 0.906 0.594 CB 1.691 33 residues pruned to eliminate duplicates Z: 42 39.019 2.300 0.774 0.580 0.878 0.561 CB 1.575 42 residues pruned to eliminate duplicates Z: 50 49.638 2.366 0.827 0.600 0.939 0.633 CB 1.589 50 residues pruned to eliminate duplicates Z: 25 41.108 2.303 0.855 0.686 1.000 0.667 CB 1.656 25 residues pruned to eliminate duplicates Z: 55 46.729 2.305 0.770 0.557 0.944 0.648 CB 1.561 55 residues pruned to eliminate duplicates Z: 41 40.668 2.292 0.833 0.625 0.900 0.550 CB 1.512 41 residues pruned to eliminate duplicates Z: 53 49.698 2.326 0.886 0.540 0.923 0.635 CB 1.637 56 residues pruned to eliminate duplicates Z: 20 33.084 2.350 0.579 0.862 0.895 0.737 CB 1.679 20 residues pruned to eliminate duplicates Z: 42 42.752 2.319 0.772 0.599 0.976 0.634 CB 1.516 42 residues pruned to eliminate duplicates Z: 43 50.815 2.383 0.846 0.600 0.952 0.571 CB 1.701 43 residues pruned to eliminate duplicates Z: 42 34.553 2.193 0.673 0.543 0.902 0.561 CB 1.564 42 residues pruned to eliminate duplicates Z: 38 37.161 2.264 0.781 0.583 0.919 0.568 CB 1.523 38 residues pruned to eliminate duplicates Z: 38 38.334 2.302 0.786 0.612 0.919 0.595 CB 1.499 38 residues pruned to eliminate duplicates Z: 43 42.332 2.283 0.676 0.593 0.952 0.667 CB 1.640 43 residues pruned to eliminate duplicates Z: 43 30.707 2.264 0.626 0.596 0.833 0.500 CB 1.410 43 residues pruned to eliminate duplicates Z: 56 40.253 2.224 0.722 0.512 0.855 0.564 CB 1.639 20 residues pruned to eliminate duplicates Z: 25 33.022 2.322 0.606 0.762 0.917 0.500 CB 1.562 25 residues pruned to eliminate duplicates Z: 41 36.533 2.283 0.586 0.651 0.950 0.650 CB 1.459 41 residues pruned to eliminate duplicates Z: 58 49.747 2.290 0.743 0.543 0.947 0.596 CB 1.670 58 residues pruned to eliminate duplicates Z: 42 37.501 2.307 0.507 0.597 0.951 0.561 CB 1.615 42 residues pruned to eliminate duplicates Z: 85 56.457 2.252 0.803 0.623 0.905 0.512 CB 1.493 85 residues pruned to eliminate duplicates Z: 16 14.389 2.091 0.656 0.345 0.800 0.400 CB 1.586 16 residues pruned to eliminate duplicates Z: 62 49.638 2.310 0.759 0.552 0.951 0.656 CB 1.564 56 residues pruned to eliminate duplicates Z: 6 5.806 1.545 0.916 0.444 1.000 0.800 CA 0.929 6 residues pruned to eliminate duplicates Z: 45 40.138 2.287 0.798 0.570 0.886 0.727 CB 1.552 35 residues pruned to eliminate duplicates Z: 8 5.511 1.575 0.391 0.842 0.857 0.714 CB 0.827 Z: 7 5.980 1.596 0.487 0.814 1.000 0.667 CB 0.783 7 residues pruned to eliminate duplicates Z: 8 7.437 1.597 0.576 0.846 1.000 0.714 CB 0.829 8 residues pruned to eliminate duplicates Z: 7 9.069 1.640 0.870 0.842 1.000 0.667 CB 0.899 8 residues pruned to eliminate duplicates Z: 8 8.800 1.600 0.647 0.834 1.000 0.429 CB 0.946 7 residues pruned to eliminate duplicates Z: 8 7.474 1.577 0.761 0.816 1.000 0.429 CB 0.773 8 residues pruned to eliminate duplicates Z: 8 7.900 1.601 0.841 0.874 1.000 0.429 CB 0.737 8 residues pruned to eliminate duplicates Z: 40 18.946 1.907 0.561 0.422 0.897 0.590 CB 1.232 Z: 6 3.304 1.595 0.808 0.202 0.800 0.600 CA 0.912 6 residues pruned to eliminate duplicates Z: 39 23.099 1.986 0.609 0.475 0.921 0.526 CB 1.306 40 residues pruned to eliminate duplicates Z: 6 10.361 2.122 0.590 0.431 1.000 0.600 CA 1.476 6 residues pruned to eliminate duplicates Z: 42 19.065 1.936 0.652 0.416 0.854 0.585 CB 1.190 42 residues pruned to eliminate duplicates Z: 40 21.193 1.929 0.673 0.453 0.872 0.590 CB 1.266 40 residues pruned to eliminate duplicates Z: 27 19.957 1.972 0.607 0.474 0.962 0.462 CB 1.319 27 residues pruned to eliminate duplicates Z: 6 5.287 1.475 0.441 0.486 1.000 1.000 CA 1.128 6 residues pruned to eliminate duplicates Z: 49 21.224 1.883 0.554 0.484 0.917 0.479 CB 1.160 49 residues pruned to eliminate duplicates Z: 6 5.745 1.655 0.175 0.519 1.000 0.200 C 1.297 Z: 6 4.200 1.611 0.258 0.395 1.000 0.400 CA 1.035 Z: 19 24.635 2.139 0.589 0.791 0.944 0.722 CB 1.401 6 residues pruned to eliminate duplicates Z: 26 31.655 2.157 0.367 0.899 1.000 0.960 CB 1.534 17 residues pruned to eliminate duplicates Z: 20 20.071 2.092 0.300 0.918 1.000 0.947 CB 1.195 20 residues pruned to eliminate duplicates Z: 33 36.672 2.218 0.756 0.633 0.969 0.688 CB 1.517 40 residues pruned to eliminate duplicates Z: 21 26.558 2.091 0.485 0.936 0.950 0.900 CB 1.402 21 residues pruned to eliminate duplicates Z: 50 29.827 2.093 0.508 0.556 0.857 0.653 CB 1.492 38 residues pruned to eliminate duplicates Z: 18 28.194 2.187 0.546 0.918 1.000 0.765 CB 1.426 18 residues pruned to eliminate duplicates Z: 53 27.807 2.077 0.485 0.558 0.865 0.635 CB 1.366 53 residues pruned to eliminate duplicates Z: 59 32.483 2.132 0.607 0.565 0.862 0.690 CB 1.356 59 residues pruned to eliminate duplicates Z: 47 34.059 2.140 0.627 0.572 0.891 0.609 CB 1.509 47 residues pruned to eliminate duplicates Z: 58 38.265 2.116 0.694 0.581 0.895 0.702 CB 1.462 58 residues pruned to eliminate duplicates Z: 108 58.483 2.192 0.684 0.580 0.935 0.626 CB 1.518 81 residues pruned to eliminate duplicates Z: 15 35.767 2.311 1.026 0.951 1.000 0.714 CB 1.407 15 residues pruned to eliminate duplicates Z: 48 36.820 2.131 0.758 0.592 0.915 0.596 CB 1.434 48 residues pruned to eliminate duplicates Z: 47 37.686 2.132 0.839 0.593 0.891 0.500 CB 1.455 47 residues pruned to eliminate duplicates Z: 41 35.720 2.097 0.907 0.628 0.900 0.525 CB 1.392 41 residues pruned to eliminate duplicates Z: 43 32.406 2.119 0.785 0.602 0.857 0.548 CB 1.399 43 residues pruned to eliminate duplicates Z: 40 38.594 2.152 0.971 0.632 0.949 0.641 CB 1.357 40 residues pruned to eliminate duplicates Z: 39 38.068 2.160 0.892 0.642 0.895 0.474 CB 1.479 39 residues pruned to eliminate duplicates Z: 50 40.828 2.087 0.891 0.640 0.939 0.612 CB 1.381 50 residues pruned to eliminate duplicates Z: 99 58.213 2.179 0.792 0.617 0.929 0.633 CB 1.452 99 residues pruned to eliminate duplicates Z: 56 31.659 2.101 0.728 0.554 0.855 0.545 CB 1.306 56 residues pruned to eliminate duplicates Z: 53 35.495 2.039 0.897 0.588 0.865 0.577 CB 1.352 53 residues pruned to eliminate duplicates Z: 51 32.979 2.153 0.754 0.579 0.840 0.460 CB 1.363 51 residues pruned to eliminate duplicates Z: 49 37.729 2.091 0.947 0.570 0.896 0.542 CB 1.395 49 residues pruned to eliminate duplicates Z: 108 57.615 2.170 0.800 0.576 0.925 0.617 CB 1.432 108 residues pruned to eliminate duplicates Z: 47 38.364 2.145 0.890 0.593 0.870 0.565 CB 1.469 47 residues pruned to eliminate duplicates Z: 56 41.195 2.117 0.919 0.594 0.891 0.509 CB 1.403 56 residues pruned to eliminate duplicates Z: 57 39.560 2.079 0.930 0.586 0.893 0.482 CB 1.359 57 residues pruned to eliminate duplicates Z: 14 5.368 1.901 0.211 0.228 0.769 0.462 CB 1.155 14 residues pruned to eliminate duplicates Z: 44 38.372 2.137 0.936 0.600 0.930 0.535 CB 1.382 44 residues pruned to eliminate duplicates Z: 77 51.016 2.158 0.786 0.642 0.908 0.579 CB 1.465 77 residues pruned to eliminate duplicates Z: 74 40.723 2.085 0.664 0.569 0.904 0.534 CB 1.421 74 residues pruned to eliminate duplicates Z: 64 43.228 2.180 0.834 0.589 0.889 0.635 CB 1.408 64 residues pruned to eliminate duplicates Z: 109 59.658 2.193 0.749 0.584 0.917 0.648 CB 1.506 109 residues pruned to eliminate duplicates Z: 83 50.641 2.150 0.798 0.626 0.902 0.549 CB 1.424 83 residues pruned to eliminate duplicates Z: 53 37.930 2.153 0.884 0.568 0.885 0.500 CB 1.373 53 residues pruned to eliminate duplicates Z: 40 32.431 2.095 0.692 0.621 0.897 0.641 CB 1.456 40 residues pruned to eliminate duplicates Z: 40 34.591 2.173 0.599 0.645 0.949 0.769 CB 1.467 40 residues pruned to eliminate duplicates Z: 19 13.641 2.095 0.561 0.440 0.778 0.667 CB 1.344 19 residues pruned to eliminate duplicates Z: 18 19.441 2.144 0.627 0.440 0.941 0.529 CB 1.529 18 residues pruned to eliminate duplicates Z: 52 40.504 2.193 0.691 0.578 0.922 0.745 CB 1.540 52 residues pruned to eliminate duplicates Z: 36 33.044 2.103 0.636 0.654 0.971 0.743 CB 1.448 36 residues pruned to eliminate duplicates Z: 59 44.496 2.228 0.719 0.556 0.948 0.672 CB 1.523 59 residues pruned to eliminate duplicates Z: 33 34.920 2.186 0.588 0.646 1.000 0.688 CB 1.552 33 residues pruned to eliminate duplicates Z: 62 45.166 2.171 0.576 0.582 0.984 0.689 CB 1.589 62 residues pruned to eliminate duplicates Z: 64 45.901 2.243 0.552 0.582 0.968 0.651 CB 1.585 64 residues pruned to eliminate duplicates Z: 42 31.616 2.082 0.645 0.601 0.951 0.732 CB 1.377 42 residues pruned to eliminate duplicates Z: 36 32.986 2.108 0.628 0.658 0.943 0.743 CB 1.488 36 residues pruned to eliminate duplicates Z: 63 46.395 2.239 0.726 0.544 0.952 0.661 CB 1.534 63 residues pruned to eliminate duplicates Z: 20 29.322 2.174 0.548 0.850 0.947 0.632 CB 1.564 20 residues pruned to eliminate duplicates Z: 42 39.794 2.149 0.680 0.660 0.976 0.683 CB 1.521 42 residues pruned to eliminate duplicates Z: 34 29.070 2.049 0.640 0.593 0.939 0.667 CB 1.467 34 residues pruned to eliminate duplicates Z: 42 38.507 2.258 0.656 0.579 0.902 0.634 CB 1.653 42 residues pruned to eliminate duplicates Z: 36 30.709 2.123 0.563 0.589 0.914 0.657 CB 1.572 36 residues pruned to eliminate duplicates Z: 33 36.370 2.288 0.628 0.642 0.906 0.688 CB 1.668 33 residues pruned to eliminate duplicates Z: 64 45.975 2.208 0.643 0.575 0.968 0.667 CB 1.533 64 residues pruned to eliminate duplicates Z: 62 45.320 2.243 0.620 0.546 0.984 0.689 CB 1.553 62 residues pruned to eliminate duplicates Z: 62 45.839 2.231 0.598 0.598 0.967 0.672 CB 1.550 61 residues pruned to eliminate duplicates Z: 21 25.648 2.131 0.548 0.826 0.900 0.750 CB 1.457 21 residues pruned to eliminate duplicates Z: 35 34.097 2.149 0.726 0.626 0.971 0.618 CB 1.443 35 residues pruned to eliminate duplicates Z: 53 39.417 2.194 0.574 0.605 0.942 0.731 CB 1.520 53 residues pruned to eliminate duplicates Z: 107 61.887 2.214 0.791 0.577 0.925 0.557 CB 1.523 107 residues pruned to eliminate duplicates Z: 46 40.190 2.235 0.575 0.578 0.978 0.600 CB 1.615 46 residues pruned to eliminate duplicates Z: 59 42.610 2.224 0.669 0.572 0.931 0.690 CB 1.511 59 residues pruned to eliminate duplicates Z: 10 5.522 1.866 0.277 0.389 0.889 0.333 CB 0.977 10 residues pruned to eliminate duplicates Z: 37 32.374 2.137 0.680 0.615 0.944 0.667 CB 1.427 37 residues pruned to eliminate duplicates Z: 23 26.366 2.143 0.525 0.705 0.909 0.682 CB 1.570 23 residues pruned to eliminate duplicates Z: 46 36.166 2.175 0.575 0.524 0.956 0.600 CB 1.609 46 residues pruned to eliminate duplicates Z: 63 48.381 2.252 0.627 0.593 0.968 0.710 CB 1.586 63 residues pruned to eliminate duplicates Z: 65 46.207 2.179 0.693 0.579 0.938 0.641 CB 1.547 29 residues pruned to eliminate duplicates Z: 6 5.368 1.695 1.035 0.291 0.800 0.400 CA 1.099 6 residues pruned to eliminate duplicates Z: 12 24.144 2.326 0.846 0.556 0.909 0.818 CA 1.766 12 residues pruned to eliminate duplicates Z: 30 27.986 2.257 0.584 0.461 0.966 0.586 CB 1.567 30 residues pruned to eliminate duplicates Z: 58 42.797 2.229 0.668 0.547 0.965 0.702 CB 1.509 58 residues pruned to eliminate duplicates Z: 26 25.760 2.233 0.695 0.442 0.960 0.680 CB 1.505 26 residues pruned to eliminate duplicates Z: 63 44.355 2.197 0.656 0.559 0.952 0.629 CB 1.536 63 residues pruned to eliminate duplicates Z: 60 42.167 2.251 0.589 0.563 0.932 0.644 CB 1.549 60 residues pruned to eliminate duplicates Z: 23 23.590 2.211 0.602 0.414 0.955 0.591 CB 1.626 23 residues pruned to eliminate duplicates Z: 24 21.665 2.299 0.530 0.424 0.870 0.478 CB 1.598 24 residues pruned to eliminate duplicates Z: 15 15.835 2.083 0.461 0.407 1.000 0.643 CB 1.532 15 residues pruned to eliminate duplicates Z: 46 37.071 2.220 0.525 0.571 0.956 0.644 CB 1.596 46 residues pruned to eliminate duplicates Z: 15 17.839 2.219 0.599 0.402 1.000 0.429 CB 1.489 15 residues pruned to eliminate duplicates Z: 58 47.913 2.262 0.757 0.564 0.965 0.632 CB 1.556 29 residues pruned to eliminate duplicates Z: 7 4.836 1.752 0.668 0.354 0.667 0.333 CA 1.187 7 residues pruned to eliminate duplicates Z: 26 33.231 2.342 0.628 0.531 0.960 0.720 CB 1.761 25 residues pruned to eliminate duplicates Z: 6 4.074 1.616 0.700 0.349 0.800 0.400 CA 0.976 6 residues pruned to eliminate duplicates Z: 9 15.816 1.983 0.732 0.639 1.000 0.875 CB 1.429 9 residues pruned to eliminate duplicates Z: 6 5.246 1.504 0.818 0.369 1.000 0.600 CA 0.987 6 residues pruned to eliminate duplicates Z: 26 33.809 2.286 0.846 0.520 0.920 0.680 CB 1.708 26 residues pruned to eliminate duplicates Z: 6 4.041 1.482 0.260 0.456 1.000 1.000 CA 1.012 6 residues pruned to eliminate duplicates 443 residues left after pruning, divided into chains as follows: A: 37 B: 237 C: 20 D: 149 CC for partial structure against native data = 42.96 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.500, Connect. = 0.740 for dens.mod. cycle 1 = 0.300, Contrast = 0.579, Connect. = 0.770 for dens.mod. cycle 2 = 0.300, Contrast = 0.705, Connect. = 0.798 for dens.mod. cycle 3 = 0.300, Contrast = 0.724, Connect. = 0.800 for dens.mod. cycle 4 = 0.300, Contrast = 0.742, Connect. = 0.802 for dens.mod. cycle 5 = 0.300, Contrast = 0.750, Connect. = 0.804 for dens.mod. cycle 6 = 0.300, Contrast = 0.758, Connect. = 0.805 for dens.mod. cycle 7 = 0.300, Contrast = 0.762, Connect. = 0.806 for dens.mod. cycle 8 = 0.300, Contrast = 0.766, Connect. = 0.806 for dens.mod. cycle 9 = 0.300, Contrast = 0.767, Connect. = 0.807 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2285 peaks > 0.5 sigma used to seed fragment search Space for about 608 unique residues taking solvent into account 540 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 53 33.209 2.051 0.749 0.472 0.923 0.577 CB 1.431 B: 17 30.521 2.406 0.513 0.919 0.875 0.750 CB 1.688 C: 20 29.291 2.312 0.237 0.886 1.000 0.789 CB 1.695 17 residues pruned to eliminate duplicates D: 19 26.978 2.263 0.416 0.846 0.944 0.611 CB 1.561 E: 63 43.947 2.180 0.682 0.544 0.935 0.661 CB 1.558 F: 19 32.416 2.273 0.614 0.858 0.944 0.611 CB 1.624 19 residues pruned to eliminate duplicates G: 62 47.518 2.254 0.611 0.568 0.984 0.639 CB 1.594 63 residues pruned to eliminate duplicates H: 91 55.416 2.230 0.817 0.617 0.900 0.533 CB 1.434 19 residues pruned to eliminate duplicates I: 88 40.204 2.096 0.589 0.487 0.931 0.598 CB 1.409 J: 18 27.801 2.297 0.420 0.891 0.882 0.765 CB 1.684 18 residues pruned to eliminate duplicates K: 18 31.611 2.257 0.500 0.891 0.941 0.882 CB 1.729 18 residues pruned to eliminate duplicates L: 41 29.666 2.128 0.681 0.482 0.950 0.550 CB 1.406 42 residues pruned to eliminate duplicates M: 25 48.030 2.340 0.834 0.957 1.000 0.667 CB 1.568 N: 53 51.796 2.334 0.753 0.567 0.981 0.596 CB 1.677 70 residues pruned to eliminate duplicates O: 64 50.492 2.314 0.667 0.578 0.952 0.714 CB 1.606 80 residues pruned to eliminate duplicates P: 20 25.715 2.029 0.572 0.859 0.895 0.842 CB 1.521 20 residues pruned to eliminate duplicates Q: 19 27.815 2.335 0.449 0.871 0.889 0.556 CB 1.589 19 residues pruned to eliminate duplicates R: 26 26.612 2.341 0.631 0.432 0.920 0.680 CB 1.625 26 residues pruned to eliminate duplicates S: 22 52.670 2.411 0.975 0.948 1.000 0.762 CB 1.666 25 residues pruned to eliminate duplicates T: 24 48.279 2.363 0.879 0.930 1.000 0.783 CB 1.586 24 residues pruned to eliminate duplicates U: 28 34.982 2.216 0.762 0.522 0.963 0.815 CB 1.751 27 residues pruned to eliminate duplicates V: 76 34.904 2.056 0.602 0.494 0.933 0.587 CB 1.319 76 residues pruned to eliminate duplicates W: 20 34.062 2.299 0.580 0.846 0.947 0.789 CB 1.687 20 residues pruned to eliminate duplicates X: 53 39.070 2.103 0.787 0.502 0.962 0.596 CB 1.496 52 residues pruned to eliminate duplicates Y: 54 30.678 2.062 0.690 0.457 0.887 0.528 CB 1.425 15 residues pruned to eliminate duplicates Z: 23 51.268 2.406 0.910 0.958 0.955 0.727 CB 1.709 23 residues pruned to eliminate duplicates Z: 27 46.204 2.165 1.023 0.922 0.962 0.385 CB 1.514 27 residues pruned to eliminate duplicates Z: 19 31.834 2.262 0.594 0.871 0.944 0.833 CB 1.608 19 residues pruned to eliminate duplicates Z: 16 24.135 2.195 0.897 0.568 0.933 0.667 CB 1.501 16 residues pruned to eliminate duplicates Z: 26 44.330 2.206 0.898 0.950 1.000 0.800 CB 1.460 26 residues pruned to eliminate duplicates Z: 18 26.992 2.396 0.765 0.466 0.941 0.765 CB 1.703 18 residues pruned to eliminate duplicates Z: 24 40.585 2.204 0.759 0.940 1.000 0.826 CB 1.515 Z: 26 46.928 2.233 1.028 0.940 1.000 0.840 CB 1.440 26 residues pruned to eliminate duplicates Z: 25 41.174 2.352 0.575 0.931 0.958 0.958 CB 1.655 24 residues pruned to eliminate duplicates Z: 25 51.951 2.310 0.948 0.941 1.000 0.667 CB 1.635 24 residues pruned to eliminate duplicates Z: 76 43.024 2.148 0.653 0.497 0.933 0.587 CB 1.504 64 residues pruned to eliminate duplicates Z: 24 37.913 2.337 0.609 0.949 1.000 0.870 CB 1.450 24 residues pruned to eliminate duplicates Z: 25 47.296 2.309 0.949 0.929 0.917 0.583 CB 1.638 23 residues pruned to eliminate duplicates Z: 23 45.619 2.435 0.695 0.946 0.955 0.773 CB 1.708 23 residues pruned to eliminate duplicates Z: 22 36.361 2.361 0.564 0.955 1.000 0.952 CB 1.476 22 residues pruned to eliminate duplicates Z: 50 37.094 2.119 0.650 0.508 0.980 0.653 CB 1.535 50 residues pruned to eliminate duplicates Z: 21 16.334 2.081 0.489 0.436 0.950 0.550 CB 1.326 21 residues pruned to eliminate duplicates Z: 51 53.762 2.240 1.171 0.619 0.940 0.520 CB 1.486 34 residues pruned to eliminate duplicates Z: 24 59.255 2.396 1.090 0.957 1.000 0.783 CB 1.694 24 residues pruned to eliminate duplicates Z: 15 33.984 2.448 0.692 0.948 0.929 0.786 CB 1.631 15 residues pruned to eliminate duplicates Z: 17 31.893 2.255 0.560 0.918 0.938 0.750 CB 1.704 17 residues pruned to eliminate duplicates Z: 20 43.359 2.375 0.884 0.952 1.000 0.579 CB 1.531 20 residues pruned to eliminate duplicates Z: 19 33.288 2.325 0.594 0.894 0.944 0.722 CB 1.608 19 residues pruned to eliminate duplicates Z: 36 24.075 2.058 0.563 0.421 0.971 0.571 CB 1.414 36 residues pruned to eliminate duplicates Z: 38 35.719 2.126 0.855 0.540 0.946 0.568 CB 1.512 38 residues pruned to eliminate duplicates Z: 9 16.523 2.180 0.953 0.663 0.875 0.875 CB 1.348 9 residues pruned to eliminate duplicates Z: 24 40.524 2.406 0.933 0.558 0.957 0.652 CB 1.795 24 residues pruned to eliminate duplicates Z: 18 25.331 2.209 0.471 0.930 0.941 0.882 CB 1.404 18 residues pruned to eliminate duplicates Z: 25 47.202 2.310 0.881 0.911 0.958 0.750 CB 1.640 25 residues pruned to eliminate duplicates Z: 24 27.703 2.350 0.724 0.433 0.913 0.609 CB 1.674 24 residues pruned to eliminate duplicates Z: 52 32.383 2.106 0.676 0.491 0.902 0.588 CB 1.438 52 residues pruned to eliminate duplicates Z: 25 40.538 2.290 0.637 0.941 1.000 0.750 CB 1.532 25 residues pruned to eliminate duplicates Z: 24 43.644 2.402 0.637 0.948 0.957 0.826 CB 1.671 24 residues pruned to eliminate duplicates Z: 20 28.856 2.060 0.817 0.852 1.000 0.632 CB 1.308 19 residues pruned to eliminate duplicates Z: 10 14.144 2.177 0.713 0.638 0.778 0.667 CB 1.429 10 residues pruned to eliminate duplicates Z: 46 39.530 2.170 0.868 0.511 1.000 0.511 CB 1.438 46 residues pruned to eliminate duplicates Z: 25 25.826 2.248 0.630 0.436 0.917 0.667 CB 1.676 25 residues pruned to eliminate duplicates Z: 9 14.193 1.990 0.814 0.831 0.750 0.625 CB 1.393 9 residues pruned to eliminate duplicates Z: 16 29.532 2.213 0.641 0.883 0.933 0.867 CA 1.626 16 residues pruned to eliminate duplicates Z: 19 28.845 2.187 0.434 0.875 1.000 0.778 CB 1.576 19 residues pruned to eliminate duplicates Z: 26 34.176 2.316 0.797 0.490 0.960 0.720 CB 1.729 26 residues pruned to eliminate duplicates Z: 20 29.689 2.312 0.393 0.881 0.947 0.684 CB 1.617 20 residues pruned to eliminate duplicates Z: 10 18.994 1.997 0.570 0.874 1.000 0.889 CA 1.469 10 residues pruned to eliminate duplicates Z: 19 35.964 2.054 0.823 0.915 1.000 0.889 CB 1.601 19 residues pruned to eliminate duplicates Z: 19 31.909 2.201 0.703 0.934 1.000 0.667 CB 1.399 19 residues pruned to eliminate duplicates Z: 55 29.218 2.082 0.660 0.424 0.870 0.407 CB 1.431 55 residues pruned to eliminate duplicates Z: 10 9.445 1.858 0.287 0.737 0.778 0.222 CA 1.368 10 residues pruned to eliminate duplicates Z: 26 30.687 2.334 0.794 0.456 0.920 0.480 CB 1.667 26 residues pruned to eliminate duplicates Z: 16 22.566 2.097 0.578 0.899 0.933 0.733 CB 1.348 16 residues pruned to eliminate duplicates Z: 24 30.215 2.345 0.812 0.507 0.957 0.652 CB 1.539 24 residues pruned to eliminate duplicates Z: 24 56.717 2.416 1.120 0.944 0.957 0.522 CB 1.672 24 residues pruned to eliminate duplicates Z: 10 21.154 2.109 0.796 0.909 0.889 0.778 CB 1.487 10 residues pruned to eliminate duplicates Z: 9 6.099 1.817 0.657 0.463 0.625 0.375 CB 1.190 9 residues pruned to eliminate duplicates Z: 58 49.828 2.343 0.747 0.556 0.947 0.649 CB 1.611 58 residues pruned to eliminate duplicates Z: 20 25.610 2.222 0.387 0.939 0.947 0.947 CB 1.398 20 residues pruned to eliminate duplicates Z: 23 34.894 2.205 0.569 0.931 1.000 0.818 CB 1.502 23 residues pruned to eliminate duplicates Z: 51 36.693 2.196 0.657 0.553 0.940 0.640 CB 1.440 51 residues pruned to eliminate duplicates Z: 25 41.947 2.261 0.780 0.953 1.000 0.958 CB 1.465 25 residues pruned to eliminate duplicates Z: 10 25.107 2.142 0.764 0.906 1.000 0.667 CA 1.575 10 residues pruned to eliminate duplicates Z: 20 50.510 2.407 1.134 0.919 0.947 0.474 CB 1.678 20 residues pruned to eliminate duplicates Z: 24 48.413 2.360 0.764 0.955 1.000 0.826 CB 1.666 24 residues pruned to eliminate duplicates Z: 24 37.843 2.213 0.592 0.947 1.000 0.870 CB 1.548 24 residues pruned to eliminate duplicates Z: 18 30.575 2.234 0.515 0.908 1.000 0.647 CB 1.556 18 residues pruned to eliminate duplicates Z: 10 17.962 2.093 0.567 0.853 0.889 0.778 CA 1.519 10 residues pruned to eliminate duplicates Z: 50 43.472 2.216 0.717 0.539 1.000 0.551 CB 1.570 50 residues pruned to eliminate duplicates Z: 25 43.195 2.286 0.900 0.939 0.958 0.375 CB 1.472 25 residues pruned to eliminate duplicates Z: 24 44.276 2.274 0.797 0.935 1.000 0.609 CB 1.574 24 residues pruned to eliminate duplicates Z: 14 20.682 2.438 0.562 0.453 0.923 0.846 CB 1.712 14 residues pruned to eliminate duplicates Z: 8 6.425 1.985 0.524 0.441 1.000 0.429 CB 0.853 8 residues pruned to eliminate duplicates Z: 30 28.893 2.087 0.373 0.887 0.931 0.897 CB 1.450 30 residues pruned to eliminate duplicates Z: 40 24.803 1.999 0.646 0.484 0.897 0.487 CB 1.366 40 residues pruned to eliminate duplicates Z: 93 52.312 2.179 0.697 0.537 0.946 0.554 CB 1.505 94 residues pruned to eliminate duplicates Z: 36 20.094 1.974 0.551 0.457 0.914 0.486 CB 1.267 30 residues pruned to eliminate duplicates Z: 25 56.792 2.345 1.287 0.917 0.917 0.542 CB 1.664 25 residues pruned to eliminate duplicates Z: 59 46.872 2.246 0.596 0.575 0.983 0.724 CB 1.626 59 residues pruned to eliminate duplicates Z: 10 18.697 2.110 0.553 0.882 0.889 0.667 CB 1.548 10 residues pruned to eliminate duplicates Z: 9 12.877 1.962 0.598 0.818 0.750 0.750 CA 1.469 9 residues pruned to eliminate duplicates Z: 29 25.584 2.116 0.785 0.486 0.893 0.571 CB 1.455 29 residues pruned to eliminate duplicates Z: 24 47.776 2.370 0.951 0.961 0.957 0.739 CB 1.542 24 residues pruned to eliminate duplicates Z: 25 54.223 2.350 1.075 0.924 0.958 0.458 CB 1.663 25 residues pruned to eliminate duplicates Z: 11 24.124 2.191 0.676 0.911 0.900 0.800 CB 1.636 11 residues pruned to eliminate duplicates Z: 20 23.075 2.121 0.523 0.820 0.895 0.579 CB 1.388 20 residues pruned to eliminate duplicates Z: 24 41.893 2.377 0.962 0.572 1.000 0.739 CB 1.747 24 residues pruned to eliminate duplicates Z: 14 14.854 1.862 0.556 0.597 0.923 0.846 CA 1.404 14 residues pruned to eliminate duplicates Z: 6 8.949 1.908 0.755 0.643 1.000 0.600 CB 1.045 6 residues pruned to eliminate duplicates Z: 12 11.088 2.020 -0.013 0.803 0.909 0.636 CB 1.415 12 residues pruned to eliminate duplicates Z: 19 26.318 2.257 0.548 0.880 0.833 0.722 CB 1.544 19 residues pruned to eliminate duplicates Z: 25 39.160 2.152 0.791 0.914 1.000 0.792 CB 1.467 25 residues pruned to eliminate duplicates Z: 20 45.564 2.231 1.102 0.921 0.947 0.737 CB 1.657 20 residues pruned to eliminate duplicates Z: 39 20.134 1.981 0.506 0.469 0.895 0.395 CB 1.263 39 residues pruned to eliminate duplicates Z: 25 54.831 2.322 1.163 0.939 0.958 0.500 CB 1.616 25 residues pruned to eliminate duplicates Z: 19 35.337 2.332 0.794 0.894 0.944 0.611 CB 1.512 19 residues pruned to eliminate duplicates Z: 19 32.918 2.367 0.503 0.873 0.944 0.611 CB 1.682 19 residues pruned to eliminate duplicates Z: 53 30.287 2.062 0.544 0.503 0.923 0.538 CB 1.425 53 residues pruned to eliminate duplicates Z: 64 55.999 2.320 0.845 0.578 0.937 0.635 CB 1.632 64 residues pruned to eliminate duplicates Z: 24 47.292 2.215 1.066 0.945 1.000 0.739 CB 1.492 24 residues pruned to eliminate duplicates Z: 19 30.966 2.199 0.573 0.875 0.944 0.667 CB 1.624 19 residues pruned to eliminate duplicates Z: 20 27.678 2.155 0.482 0.842 0.947 0.579 CB 1.565 20 residues pruned to eliminate duplicates Z: 117 61.119 2.220 0.795 0.529 0.922 0.612 CB 1.500 115 residues pruned to eliminate duplicates Z: 24 63.884 2.420 1.243 0.963 1.000 0.783 CB 1.678 24 residues pruned to eliminate duplicates Z: 25 18.196 1.968 0.560 0.483 0.917 0.333 CB 1.342 25 residues pruned to eliminate duplicates Z: 49 40.896 2.232 0.679 0.629 0.896 0.646 CB 1.557 49 residues pruned to eliminate duplicates Z: 20 35.368 2.317 0.615 0.865 0.947 0.789 CB 1.677 20 residues pruned to eliminate duplicates Z: 20 29.976 2.281 0.562 0.873 0.947 0.579 CB 1.484 20 residues pruned to eliminate duplicates Z: 8 14.729 1.989 0.403 0.877 1.000 1.000 CA 1.448 8 residues pruned to eliminate duplicates Z: 10 23.907 2.037 0.837 0.892 1.000 0.778 CB 1.530 10 residues pruned to eliminate duplicates Z: 24 36.165 2.199 0.772 0.918 0.913 0.783 CB 1.495 24 residues pruned to eliminate duplicates Z: 30 18.544 1.915 0.698 0.477 0.897 0.552 CB 1.209 30 residues pruned to eliminate duplicates Z: 44 34.251 2.063 0.577 0.669 0.953 0.674 CB 1.440 44 residues pruned to eliminate duplicates Z: 7 5.985 1.885 0.603 0.560 0.500 0.167 CA 1.526 7 residues pruned to eliminate duplicates Z: 20 28.022 2.133 0.509 0.865 0.947 0.789 CB 1.544 20 residues pruned to eliminate duplicates Z: 26 32.518 2.196 0.428 0.936 0.960 0.960 CB 1.504 26 residues pruned to eliminate duplicates Z: 22 38.347 2.386 0.488 0.906 1.000 0.952 CA 1.676 22 residues pruned to eliminate duplicates Z: 92 52.653 2.181 0.763 0.565 0.901 0.527 CB 1.496 92 residues pruned to eliminate duplicates Z: 23 38.922 2.230 0.927 0.943 0.955 0.500 CB 1.402 23 residues pruned to eliminate duplicates Z: 22 26.571 2.316 0.757 0.422 0.952 0.714 CB 1.623 22 residues pruned to eliminate duplicates Z: 8 17.281 2.127 0.389 0.895 1.000 0.857 CA 1.585 8 residues pruned to eliminate duplicates Z: 24 71.286 2.396 1.579 0.959 1.000 0.565 CB 1.649 24 residues pruned to eliminate duplicates Z: 9 17.304 2.081 0.515 0.897 1.000 0.875 CB 1.389 9 residues pruned to eliminate duplicates Z: 22 30.511 2.177 0.563 0.944 0.952 0.714 CB 1.423 22 residues pruned to eliminate duplicates Z: 51 32.288 2.056 0.722 0.456 0.940 0.560 CB 1.434 51 residues pruned to eliminate duplicates Z: 18 28.277 2.274 0.436 0.886 0.941 0.706 CB 1.611 18 residues pruned to eliminate duplicates Z: 20 30.842 2.322 0.473 0.843 0.895 0.737 CB 1.722 20 residues pruned to eliminate duplicates Z: 6 12.507 1.955 0.816 0.705 1.000 0.600 CB 1.307 6 residues pruned to eliminate duplicates Z: 19 50.754 2.420 1.071 0.940 1.000 0.500 CB 1.658 19 residues pruned to eliminate duplicates Z: 62 46.163 2.207 0.668 0.572 0.951 0.639 CB 1.575 62 residues pruned to eliminate duplicates Z: 24 46.849 2.321 1.099 0.948 0.957 0.783 CB 1.447 24 residues pruned to eliminate duplicates Z: 19 32.306 2.279 0.684 0.884 0.889 0.722 CB 1.613 19 residues pruned to eliminate duplicates Z: 14 18.228 2.040 0.897 0.474 0.846 0.615 CB 1.586 14 residues pruned to eliminate duplicates Z: 84 48.663 2.185 0.656 0.604 0.916 0.651 CB 1.461 84 residues pruned to eliminate duplicates Z: 24 39.345 2.219 0.781 0.952 0.957 0.652 CB 1.494 24 residues pruned to eliminate duplicates Z: 25 44.766 2.234 0.923 0.929 1.000 0.875 CB 1.489 25 residues pruned to eliminate duplicates Z: 111 60.176 2.272 0.734 0.570 0.909 0.600 CB 1.497 111 residues pruned to eliminate duplicates Z: 20 31.566 2.341 0.624 0.865 0.895 0.684 CB 1.559 20 residues pruned to eliminate duplicates Z: 25 52.551 2.304 1.307 0.944 0.917 0.375 CB 1.525 25 residues pruned to eliminate duplicates Z: 27 24.675 2.236 0.697 0.438 0.885 0.577 CB 1.538 27 residues pruned to eliminate duplicates Z: 131 59.663 2.199 0.761 0.547 0.892 0.531 CB 1.447 131 residues pruned to eliminate duplicates Z: 25 40.924 2.215 0.939 0.928 1.000 0.708 CB 1.361 25 residues pruned to eliminate duplicates Z: 17 31.823 2.386 0.521 0.921 0.938 0.875 CB 1.646 17 residues pruned to eliminate duplicates Z: 40 17.527 1.954 0.458 0.372 0.897 0.410 CB 1.259 38 residues pruned to eliminate duplicates Z: 33 21.755 2.001 0.657 0.469 0.969 0.594 CB 1.235 33 residues pruned to eliminate duplicates Z: 19 40.791 2.357 0.829 0.883 1.000 0.778 CB 1.613 19 residues pruned to eliminate duplicates Z: 23 25.445 2.250 0.408 0.777 0.909 0.591 CB 1.474 23 residues pruned to eliminate duplicates Z: 18 34.579 2.327 0.821 0.851 0.882 0.706 CB 1.660 18 residues pruned to eliminate duplicates Z: 39 30.402 2.065 0.694 0.493 0.974 0.500 CB 1.458 39 residues pruned to eliminate duplicates Z: 89 64.772 2.230 0.871 0.655 0.920 0.625 CB 1.556 89 residues pruned to eliminate duplicates Z: 24 43.337 2.233 0.785 0.946 1.000 0.739 CB 1.568 24 residues pruned to eliminate duplicates Z: 19 25.276 2.260 0.360 0.889 0.889 0.667 CB 1.571 19 residues pruned to eliminate duplicates Z: 30 19.149 2.001 0.642 0.436 0.793 0.379 CB 1.459 30 residues pruned to eliminate duplicates Z: 24 25.441 2.097 0.332 0.908 0.957 0.783 CB 1.409 24 residues pruned to eliminate duplicates Z: 21 22.758 2.223 0.718 0.379 0.900 0.700 CA 1.684 21 residues pruned to eliminate duplicates Z: 43 32.043 2.051 0.690 0.446 0.952 0.405 CA 1.584 43 residues pruned to eliminate duplicates Z: 27 19.131 2.086 0.605 0.438 0.846 0.538 CB 1.412 27 residues pruned to eliminate duplicates Z: 17 14.907 2.009 0.760 0.426 0.812 0.562 CB 1.402 17 residues pruned to eliminate duplicates Z: 25 50.577 2.314 0.985 0.955 1.000 0.667 CB 1.545 25 residues pruned to eliminate duplicates Z: 25 41.490 2.185 0.849 0.938 1.000 0.708 CB 1.458 25 residues pruned to eliminate duplicates Z: 16 30.026 2.389 0.551 0.918 0.933 0.667 CB 1.581 16 residues pruned to eliminate duplicates Z: 103 54.002 2.228 0.676 0.578 0.922 0.588 CB 1.442 103 residues pruned to eliminate duplicates Z: 45 34.803 2.110 0.776 0.505 0.955 0.500 CB 1.460 45 residues pruned to eliminate duplicates Z: 53 47.689 2.263 0.990 0.626 0.885 0.500 CB 1.474 53 residues pruned to eliminate duplicates Z: 11 13.720 1.959 0.402 0.847 0.900 0.500 CA 1.303 11 residues pruned to eliminate duplicates Z: 22 11.494 1.954 0.593 0.420 0.810 0.524 CB 1.082 22 residues pruned to eliminate duplicates Z: 41 29.292 2.071 0.661 0.497 0.925 0.625 CB 1.459 41 residues pruned to eliminate duplicates Z: 25 29.268 2.337 0.772 0.480 0.917 0.625 CB 1.607 25 residues pruned to eliminate duplicates Z: 78 52.103 2.205 0.714 0.600 0.948 0.597 CB 1.507 78 residues pruned to eliminate duplicates Z: 25 41.553 2.177 0.818 0.948 1.000 0.542 CB 1.480 25 residues pruned to eliminate duplicates Z: 18 8.725 1.833 0.501 0.366 0.824 0.412 CB 1.079 18 residues pruned to eliminate duplicates Z: 15 27.907 2.268 0.615 0.901 1.000 0.643 CB 1.453 15 residues pruned to eliminate duplicates Z: 19 35.834 2.360 0.652 0.909 0.944 0.778 CB 1.628 19 residues pruned to eliminate duplicates Z: 13 24.072 2.143 0.888 0.693 0.917 0.833 CB 1.571 13 residues pruned to eliminate duplicates Z: 26 59.769 2.256 1.465 0.960 1.000 0.560 CB 1.472 26 residues pruned to eliminate duplicates Z: 37 19.871 1.944 0.539 0.450 0.917 0.500 CB 1.271 37 residues pruned to eliminate duplicates Z: 22 32.050 2.300 1.011 0.486 0.952 0.762 CB 1.610 22 residues pruned to eliminate duplicates Z: 16 16.920 2.082 0.926 0.579 0.867 0.667 CB 1.165 16 residues pruned to eliminate duplicates Z: 8 13.595 1.923 0.338 0.837 1.000 0.857 CB 1.492 8 residues pruned to eliminate duplicates Z: 28 13.490 1.982 0.561 0.312 0.815 0.370 CB 1.268 28 residues pruned to eliminate duplicates Z: 50 28.043 2.056 0.505 0.480 0.939 0.469 CB 1.407 50 residues pruned to eliminate duplicates Z: 21 23.822 2.138 0.210 0.918 0.950 0.900 CB 1.528 21 residues pruned to eliminate duplicates Z: 16 38.628 2.422 0.829 0.927 1.000 0.667 CB 1.578 16 residues pruned to eliminate duplicates Z: 17 27.012 2.234 0.332 0.939 1.000 0.875 CB 1.576 17 residues pruned to eliminate duplicates Z: 42 25.056 2.081 0.426 0.592 0.878 0.659 CB 1.375 40 residues pruned to eliminate duplicates Z: 50 32.078 2.069 0.629 0.513 0.918 0.531 CB 1.461 50 residues pruned to eliminate duplicates Z: 13 9.765 1.983 0.576 0.447 0.833 0.750 CB 1.142 13 residues pruned to eliminate duplicates Z: 25 54.683 2.350 1.085 0.960 1.000 0.583 CB 1.560 25 residues pruned to eliminate duplicates Z: 46 32.292 2.038 0.752 0.455 0.978 0.578 CB 1.444 46 residues pruned to eliminate duplicates Z: 19 34.401 2.344 0.579 0.900 0.944 0.778 CB 1.656 19 residues pruned to eliminate duplicates Z: 45 31.144 2.042 0.567 0.614 0.955 0.614 CB 1.379 45 residues pruned to eliminate duplicates Z: 34 22.063 2.062 0.503 0.430 0.909 0.515 CB 1.466 34 residues pruned to eliminate duplicates Z: 14 28.340 2.499 0.553 0.533 1.000 0.769 CA 1.959 14 residues pruned to eliminate duplicates Z: 73 59.144 2.246 0.904 0.678 0.903 0.542 CB 1.532 73 residues pruned to eliminate duplicates Z: 20 27.867 2.131 0.444 0.876 1.000 0.684 CB 1.509 20 residues pruned to eliminate duplicates Z: 13 15.432 1.957 0.279 0.772 1.000 0.417 CB 1.399 13 residues pruned to eliminate duplicates Z: 23 39.235 2.249 0.854 0.939 0.955 0.591 CB 1.461 23 residues pruned to eliminate duplicates Z: 47 28.650 2.053 0.612 0.457 0.913 0.413 CB 1.461 47 residues pruned to eliminate duplicates Z: 12 10.110 1.854 0.246 0.617 1.000 0.636 CB 1.182 Z: 47 31.565 2.062 0.693 0.521 0.913 0.565 CB 1.430 47 residues pruned to eliminate duplicates Z: 40 25.518 2.018 0.598 0.488 0.923 0.487 CB 1.390 40 residues pruned to eliminate duplicates Z: 32 14.217 1.754 0.267 0.482 0.935 0.516 CB 1.251 32 residues pruned to eliminate duplicates Z: 28 24.276 1.959 0.765 0.519 0.963 0.444 CB 1.377 28 residues pruned to eliminate duplicates Z: 41 27.811 2.049 0.588 0.499 0.950 0.500 CB 1.425 41 residues pruned to eliminate duplicates Z: 19 24.763 2.175 0.256 0.897 1.000 0.889 CB 1.530 19 residues pruned to eliminate duplicates Z: 10 15.948 1.911 0.512 0.858 1.000 0.778 CB 1.355 10 residues pruned to eliminate duplicates Z: 24 44.595 2.206 1.087 0.944 0.957 0.652 CB 1.463 24 residues pruned to eliminate duplicates Z: 63 35.716 2.101 0.799 0.527 0.855 0.597 CB 1.367 63 residues pruned to eliminate duplicates Z: 8 16.597 2.126 0.374 0.914 1.000 1.000 CB 1.519 8 residues pruned to eliminate duplicates Z: 40 24.536 2.053 0.630 0.510 0.846 0.590 CB 1.373 40 residues pruned to eliminate duplicates Z: 34 22.661 1.988 0.526 0.438 0.939 0.515 CB 1.475 34 residues pruned to eliminate duplicates Z: 51 30.503 2.090 0.616 0.498 0.920 0.580 CB 1.390 51 residues pruned to eliminate duplicates Z: 7 9.924 1.819 0.642 0.694 0.833 0.500 CB 1.363 7 residues pruned to eliminate duplicates Z: 10 22.847 2.266 0.856 0.520 1.000 0.556 CB 1.775 10 residues pruned to eliminate duplicates Z: 113 47.463 2.185 0.597 0.486 0.920 0.482 CB 1.417 113 residues pruned to eliminate duplicates Z: 13 19.636 2.318 0.655 0.519 0.833 0.667 CB 1.740 13 residues pruned to eliminate duplicates Z: 10 11.764 2.020 0.563 0.584 0.889 0.778 CB 1.289 10 residues pruned to eliminate duplicates Z: 41 39.215 2.281 0.713 0.654 0.925 0.700 CB 1.487 41 residues pruned to eliminate duplicates Z: 19 30.669 2.254 0.637 0.869 0.889 0.611 CB 1.609 19 residues pruned to eliminate duplicates Z: 63 48.479 2.199 0.654 0.587 0.984 0.645 CB 1.582 63 residues pruned to eliminate duplicates Z: 48 30.912 2.111 0.574 0.518 0.915 0.553 CB 1.457 48 residues pruned to eliminate duplicates Z: 14 15.516 2.208 0.330 0.515 0.923 0.615 CB 1.564 14 residues pruned to eliminate duplicates Z: 45 33.546 2.123 0.738 0.488 0.932 0.545 CB 1.488 45 residues pruned to eliminate duplicates Z: 17 26.174 2.074 0.548 0.906 1.000 0.750 CA 1.449 17 residues pruned to eliminate duplicates Z: 35 34.229 2.144 0.675 0.666 0.912 0.647 CB 1.537 35 residues pruned to eliminate duplicates Z: 16 32.252 2.130 0.771 0.909 1.000 0.733 CB 1.567 16 residues pruned to eliminate duplicates Z: 42 28.386 1.931 0.853 0.493 0.878 0.512 CB 1.421 42 residues pruned to eliminate duplicates Z: 45 21.702 1.908 0.522 0.455 0.909 0.500 CB 1.298 45 residues pruned to eliminate duplicates Z: 6 10.553 1.992 0.505 0.753 0.800 0.600 CB 1.570 6 residues pruned to eliminate duplicates Z: 24 46.580 2.214 1.183 0.950 0.957 0.478 CB 1.450 24 residues pruned to eliminate duplicates Z: 47 24.002 2.018 0.502 0.441 0.891 0.522 CB 1.393 47 residues pruned to eliminate duplicates Z: 16 32.436 2.136 1.009 0.921 0.933 0.533 CB 1.472 16 residues pruned to eliminate duplicates Z: 30 25.899 2.039 0.745 0.488 0.931 0.517 CB 1.470 30 residues pruned to eliminate duplicates Z: 16 20.102 2.299 0.588 0.488 0.867 0.733 CA 1.661 16 residues pruned to eliminate duplicates Z: 23 41.416 2.219 0.993 0.940 0.955 0.773 CB 1.453 23 residues pruned to eliminate duplicates Z: 46 26.628 2.041 0.538 0.450 0.933 0.511 CB 1.425 46 residues pruned to eliminate duplicates Z: 73 42.938 2.152 0.685 0.530 0.903 0.472 CB 1.501 73 residues pruned to eliminate duplicates Z: 23 46.578 2.258 1.079 0.958 1.000 0.818 CB 1.451 23 residues pruned to eliminate duplicates Z: 39 29.139 2.053 0.739 0.525 0.947 0.526 CB 1.364 39 residues pruned to eliminate duplicates Z: 86 59.939 2.220 0.968 0.607 0.894 0.518 CB 1.504 90 residues pruned to eliminate duplicates Z: 39 34.758 2.190 0.662 0.638 0.895 0.526 CB 1.522 39 residues pruned to eliminate duplicates Z: 17 27.808 2.096 0.583 0.925 0.938 0.750 CB 1.569 17 residues pruned to eliminate duplicates Z: 47 23.904 2.169 0.665 0.398 0.804 0.543 CB 1.352 47 residues pruned to eliminate duplicates Z: 38 20.111 1.972 0.599 0.467 0.865 0.568 CB 1.254 38 residues pruned to eliminate duplicates Z: 16 35.295 2.335 0.718 0.913 1.000 0.800 CB 1.608 16 residues pruned to eliminate duplicates Z: 10 3.144 1.442 -0.299 0.529 0.889 0.556 N 1.133 Z: 13 20.601 2.305 0.673 0.586 0.917 0.917 CA 1.549 13 residues pruned to eliminate duplicates Z: 33 46.798 2.322 0.874 0.715 0.969 0.781 CB 1.615 33 residues pruned to eliminate duplicates Z: 52 22.558 2.009 0.465 0.405 0.843 0.510 CB 1.407 52 residues pruned to eliminate duplicates Z: 8 4.307 1.805 -0.271 0.414 1.000 0.429 CB 1.353 Z: 24 30.665 2.272 0.286 0.921 1.000 0.913 CB 1.540 24 residues pruned to eliminate duplicates Z: 24 33.844 2.269 0.348 0.953 1.000 1.000 CB 1.588 24 residues pruned to eliminate duplicates Z: 43 18.412 1.804 0.600 0.394 0.905 0.429 CB 1.218 43 residues pruned to eliminate duplicates Z: 19 28.872 2.217 0.655 0.876 0.889 0.667 CB 1.516 19 residues pruned to eliminate duplicates Z: 19 8.998 1.789 0.476 0.470 0.778 0.444 CB 1.064 19 residues pruned to eliminate duplicates Z: 84 51.395 2.175 0.876 0.563 0.892 0.458 CB 1.460 85 residues pruned to eliminate duplicates Z: 21 31.073 2.331 0.329 0.910 1.000 0.900 CA 1.591 21 residues pruned to eliminate duplicates Z: 18 24.417 2.190 0.429 0.879 0.941 0.706 CB 1.457 18 residues pruned to eliminate duplicates Z: 18 30.542 2.266 0.696 0.874 0.882 0.647 CB 1.589 18 residues pruned to eliminate duplicates Z: 63 35.156 2.028 0.619 0.488 0.903 0.484 CB 1.523 63 residues pruned to eliminate duplicates Z: 19 25.493 2.180 0.459 0.872 0.944 0.667 CB 1.458 19 residues pruned to eliminate duplicates Z: 18 8.287 1.846 0.325 0.317 0.882 0.471 CB 1.140 18 residues pruned to eliminate duplicates Z: 19 12.216 1.842 0.432 0.421 0.944 0.556 CB 1.255 19 residues pruned to eliminate duplicates Z: 15 20.353 2.259 0.119 0.948 1.000 0.929 CB 1.486 15 residues pruned to eliminate duplicates Z: 17 26.688 2.169 0.500 0.909 0.938 0.812 CA 1.552 17 residues pruned to eliminate duplicates Z: 25 47.620 2.174 1.203 0.950 1.000 0.542 CB 1.399 25 residues pruned to eliminate duplicates Z: 23 23.287 2.179 0.053 0.941 1.000 1.000 CB 1.502 23 residues pruned to eliminate duplicates Z: 20 29.186 2.118 0.719 0.860 0.895 0.632 CB 1.512 20 residues pruned to eliminate duplicates Z: 8 7.628 1.700 0.720 0.538 0.714 0.571 CB 1.330 8 residues pruned to eliminate duplicates Z: 10 19.958 2.022 0.825 0.910 0.889 0.444 CB 1.438 10 residues pruned to eliminate duplicates Z: 52 30.045 2.084 0.620 0.466 0.922 0.431 CB 1.400 52 residues pruned to eliminate duplicates Z: 18 28.063 2.025 0.911 0.861 0.882 0.471 CB 1.464 18 residues pruned to eliminate duplicates Z: 20 30.456 2.158 0.592 0.829 1.000 0.579 CA 1.531 20 residues pruned to eliminate duplicates 9 1.984 1.577 0.374 0.362 0.500 0.500 CB 0.751 ? Z: 15 19.930 2.122 0.759 0.566 0.929 0.786 CB 1.442 15 residues pruned to eliminate duplicates Z: 8 17.527 1.940 1.086 0.679 0.857 0.714 N 1.619 9 residues pruned to eliminate duplicates Z: 19 33.663 2.094 0.807 0.899 1.000 0.722 CB 1.499 19 residues pruned to eliminate duplicates Z: 19 16.318 1.964 0.633 0.422 0.889 0.444 CB 1.462 19 residues pruned to eliminate duplicates Z: 27 40.650 2.177 0.663 0.935 1.000 0.769 CB 1.535 27 residues pruned to eliminate duplicates Z: 52 26.692 2.058 0.604 0.475 0.863 0.451 CB 1.346 52 residues pruned to eliminate duplicates Z: 23 33.847 2.369 0.298 0.945 1.000 0.955 CB 1.625 23 residues pruned to eliminate duplicates Z: 68 31.972 2.034 0.632 0.502 0.881 0.612 CB 1.335 64 residues pruned to eliminate duplicates Z: 6 11.081 1.965 0.762 0.703 0.800 0.800 CB 1.487 6 residues pruned to eliminate duplicates Z: 22 13.579 1.881 0.337 0.546 0.857 0.286 CB 1.314 22 residues pruned to eliminate duplicates Z: 46 31.392 2.089 0.716 0.503 0.889 0.533 CB 1.464 45 residues pruned to eliminate duplicates Z: 8 7.460 1.903 0.673 0.770 1.000 0.714 CB 0.697 Z: 40 43.514 2.335 0.696 0.651 0.974 0.692 CB 1.569 40 residues pruned to eliminate duplicates Z: 40 19.800 1.938 0.465 0.415 0.897 0.359 CB 1.360 40 residues pruned to eliminate duplicates Z: 14 14.915 1.967 0.595 0.454 0.923 0.462 CA 1.497 14 residues pruned to eliminate duplicates Z: 11 3.584 1.586 -0.004 0.350 0.700 0.300 O 1.206 Z: 92 52.183 2.193 0.775 0.547 0.912 0.560 CB 1.472 92 residues pruned to eliminate duplicates Z: 8 12.641 2.050 0.525 0.821 0.857 0.571 CB 1.350 8 residues pruned to eliminate duplicates Z: 23 51.401 2.291 1.262 0.939 0.955 0.273 CB 1.539 23 residues pruned to eliminate duplicates Z: 59 42.007 2.190 0.606 0.590 0.931 0.672 CB 1.545 59 residues pruned to eliminate duplicates Z: 23 26.509 2.181 0.267 0.930 1.000 0.955 CB 1.430 23 residues pruned to eliminate duplicates Z: 12 10.555 1.872 0.434 0.474 0.909 0.545 CA 1.339 23 residues pruned to eliminate duplicates Z: 7 4.781 1.775 -0.167 0.670 0.833 0.667 N 1.354 Z: 15 11.348 2.024 0.422 0.342 0.929 0.429 CB 1.347 15 residues pruned to eliminate duplicates Z: 57 44.988 2.217 0.958 0.590 0.875 0.500 CB 1.451 57 residues pruned to eliminate duplicates Z: 24 57.792 2.349 1.318 0.925 1.000 0.609 CB 1.553 24 residues pruned to eliminate duplicates Z: 24 36.340 2.235 0.596 0.945 0.957 0.739 CB 1.537 24 residues pruned to eliminate duplicates Z: 14 18.835 1.999 0.887 0.558 0.923 0.692 CB 1.417 14 residues pruned to eliminate duplicates Z: 6 9.505 2.041 0.097 0.822 1.000 0.800 CB 1.436 6 residues pruned to eliminate duplicates Z: 8 8.656 1.993 0.066 0.821 0.857 0.571 CB 1.359 8 residues pruned to eliminate duplicates Z: 7 6.331 1.775 -0.218 0.824 1.000 1.000 C 1.406 8 residues pruned to eliminate duplicates Z: 8 6.960 1.566 0.238 0.897 1.000 0.857 CB 0.971 Z: 7 3.563 1.692 -0.064 0.451 0.833 0.333 O 1.158 Z: 37 21.059 2.093 0.476 0.536 0.861 0.528 CB 1.273 37 residues pruned to eliminate duplicates Z: 37 24.879 2.071 0.578 0.424 0.917 0.500 CB 1.497 37 residues pruned to eliminate duplicates Z: 9 28.998 2.137 0.960 0.899 1.000 0.750 CB 1.749 9 residues pruned to eliminate duplicates Z: 18 24.650 2.249 0.672 0.459 1.000 0.588 CB 1.658 18 residues pruned to eliminate duplicates Z: 24 41.804 2.216 0.972 0.937 0.957 0.391 CB 1.451 24 residues pruned to eliminate duplicates Z: 6 4.937 1.331 0.783 0.723 0.800 0.600 N 0.951 6 residues pruned to eliminate duplicates Z: 8 7.720 1.870 0.541 0.433 0.857 0.571 CA 1.265 8 residues pruned to eliminate duplicates Z: 34 19.026 1.937 0.533 0.504 0.909 0.545 CB 1.223 34 residues pruned to eliminate duplicates Z: 6 3.489 1.692 0.141 0.577 0.800 0.800 N 0.938 6 residues pruned to eliminate duplicates Z: 87 45.609 2.127 0.570 0.608 0.919 0.640 CB 1.447 40 residues pruned to eliminate duplicates Z: 6 2.314 1.537 -0.257 0.471 0.800 0.600 CB 1.167 Z: 67 38.569 2.215 0.627 0.504 0.909 0.561 CB 1.445 67 residues pruned to eliminate duplicates Z: 46 24.609 2.046 0.523 0.436 0.933 0.556 CB 1.347 46 residues pruned to eliminate duplicates Z: 49 42.862 2.324 0.718 0.606 0.917 0.708 CB 1.528 49 residues pruned to eliminate duplicates Z: 78 46.750 2.189 0.678 0.559 0.922 0.649 CB 1.484 78 residues pruned to eliminate duplicates Z: 53 31.130 2.059 0.539 0.482 0.942 0.558 CB 1.471 53 residues pruned to eliminate duplicates Z: 6 6.490 1.542 0.363 0.760 0.800 0.600 CA 1.369 Z: 10 5.726 1.623 0.338 0.265 0.889 0.444 CA 1.292 10 residues pruned to eliminate duplicates Z: 6 12.967 1.918 0.720 0.770 1.000 0.400 CA 1.384 6 residues pruned to eliminate duplicates Z: 20 27.448 2.075 0.582 0.844 0.947 0.789 CB 1.507 20 residues pruned to eliminate duplicates Z: 8 19.398 2.080 0.814 0.902 1.000 0.714 CB 1.387 8 residues pruned to eliminate duplicates Z: 9 16.644 1.921 0.451 0.856 1.000 0.500 C 1.558 9 residues pruned to eliminate duplicates Z: 17 34.700 2.310 0.688 0.905 1.000 0.875 CB 1.584 17 residues pruned to eliminate duplicates Z: 6 5.231 2.048 0.800 0.822 1.000 1.000 CB 0.480 Z: 8 21.899 2.250 0.813 0.746 1.000 1.000 CB 1.627 8 residues pruned to eliminate duplicates Z: 12 23.387 2.410 0.802 0.530 1.000 0.636 CB 1.577 12 residues pruned to eliminate duplicates Z: 22 22.012 1.934 0.809 0.609 0.905 0.524 CB 1.368 22 residues pruned to eliminate duplicates Z: 46 21.675 2.015 0.485 0.424 0.800 0.467 CB 1.460 46 residues pruned to eliminate duplicates Z: 61 38.408 2.215 0.568 0.554 0.900 0.650 CB 1.505 61 residues pruned to eliminate duplicates Z: 16 18.555 1.777 0.855 0.597 0.933 0.467 CB 1.419 16 residues pruned to eliminate duplicates Z: 42 32.668 2.160 0.618 0.617 0.878 0.659 CB 1.488 42 residues pruned to eliminate duplicates Z: 20 21.929 1.898 0.814 0.599 0.895 0.526 CB 1.486 20 residues pruned to eliminate duplicates Z: 40 42.583 2.167 0.971 0.668 0.949 0.692 CB 1.441 40 residues pruned to eliminate duplicates Z: 7 4.428 1.773 -0.370 0.581 1.000 0.500 CB 1.497 Z: 8 3.518 1.804 -0.230 0.484 0.714 0.429 CB 1.363 6 residues pruned to eliminate duplicates Z: 25 20.486 2.001 0.798 0.502 0.833 0.625 CB 1.392 25 residues pruned to eliminate duplicates Z: 12 4.799 1.467 0.044 0.554 0.818 0.636 CB 1.095 10 residues pruned to eliminate duplicates Z: 10 14.072 1.891 0.551 0.868 0.889 0.333 CB 1.315 10 residues pruned to eliminate duplicates Z: 49 33.326 2.080 0.652 0.529 0.938 0.438 CB 1.451 49 residues pruned to eliminate duplicates Z: 23 50.722 2.325 1.243 0.957 0.955 0.364 CB 1.490 23 residues pruned to eliminate duplicates Z: 81 56.532 2.266 0.716 0.640 0.938 0.700 CB 1.521 81 residues pruned to eliminate duplicates Z: 9 6.032 1.799 -0.088 0.640 0.750 0.625 CB 1.520 Z: 11 8.818 2.014 0.331 0.566 0.800 0.600 CB 1.220 11 residues pruned to eliminate duplicates Z: 90 53.978 2.190 0.773 0.511 0.933 0.562 CB 1.563 90 residues pruned to eliminate duplicates Z: 9 23.837 2.136 1.029 0.893 0.875 0.250 CB 1.595 9 residues pruned to eliminate duplicates Z: 7 9.588 1.532 0.878 0.895 1.000 0.667 CB 0.975 7 residues pruned to eliminate duplicates Z: 6 4.378 1.603 0.305 0.494 0.800 0.600 CA 1.177 Z: 6 5.554 1.899 0.339 0.320 0.800 0.400 CB 1.489 6 residues pruned to eliminate duplicates Z: 14 30.174 2.355 0.403 0.927 1.000 0.846 CB 1.776 14 residues pruned to eliminate duplicates Z: 31 27.236 2.161 0.650 0.536 0.900 0.700 CB 1.496 31 residues pruned to eliminate duplicates Z: 53 28.936 2.079 0.545 0.478 0.885 0.481 CB 1.444 53 residues pruned to eliminate duplicates Z: 32 19.475 1.980 0.623 0.494 0.903 0.516 CB 1.212 32 residues pruned to eliminate duplicates Z: 8 7.177 1.553 0.387 0.855 1.000 0.714 CB 0.930 8 residues pruned to eliminate duplicates Z: 38 30.077 2.096 0.764 0.511 0.919 0.649 CB 1.439 38 residues pruned to eliminate duplicates Z: 44 20.309 1.910 0.412 0.476 0.930 0.488 CB 1.264 44 residues pruned to eliminate duplicates Z: 7 5.366 1.736 -0.156 0.562 1.000 0.833 CB 1.408 6 residues pruned to eliminate duplicates Z: 6 3.650 1.810 -0.136 0.593 0.800 0.800 CB 1.194 6 residues pruned to eliminate duplicates Z: 7 8.344 2.001 0.580 0.342 0.833 0.500 CB 1.535 7 residues pruned to eliminate duplicates Z: 27 17.639 1.949 0.420 0.484 0.923 0.577 CB 1.377 27 residues pruned to eliminate duplicates Z: 18 28.015 2.138 0.495 0.889 0.941 0.941 CB 1.626 18 residues pruned to eliminate duplicates Z: 6 4.627 1.570 0.119 0.492 1.000 0.600 CA 1.187 6 residues pruned to eliminate duplicates Z: 22 27.038 1.933 0.862 0.652 1.000 0.714 CB 1.423 22 residues pruned to eliminate duplicates Z: 23 34.351 2.394 0.812 0.509 0.955 0.773 CB 1.752 23 residues pruned to eliminate duplicates Z: 11 7.338 1.893 0.744 0.381 0.700 0.600 CB 1.139 11 residues pruned to eliminate duplicates Z: 33 18.309 2.027 0.483 0.375 0.875 0.531 CB 1.406 45 residues pruned to eliminate duplicates Z: 39 47.830 2.252 1.057 0.677 0.947 0.553 CB 1.502 39 residues pruned to eliminate duplicates Z: 6 8.471 1.709 0.540 0.815 1.000 0.600 CB 1.094 6 residues pruned to eliminate duplicates Z: 52 34.554 2.102 0.617 0.514 0.961 0.569 CB 1.461 52 residues pruned to eliminate duplicates Z: 22 20.072 2.092 0.629 0.465 0.857 0.619 CB 1.554 22 residues pruned to eliminate duplicates Z: 13 8.255 1.939 0.562 0.281 0.750 0.500 CB 1.344 13 residues pruned to eliminate duplicates Z: 7 3.278 1.570 0.078 0.363 0.667 0.333 CB 1.375 7 1.028 1.342 -0.073 0.249 0.500 0.333 CA 0.901 ? 6 1.912 1.261 0.304 0.265 0.800 0.600 N 0.850 ? Z: 6 4.898 1.761 -0.113 0.521 1.000 0.600 O 1.373 Z: 6 8.118 1.463 0.990 0.786 0.800 0.600 CA 1.212 6 residues pruned to eliminate duplicates Z: 49 46.068 2.236 0.605 0.628 0.979 0.729 CB 1.677 49 residues pruned to eliminate duplicates Z: 15 24.167 2.164 0.945 0.542 1.000 0.857 CB 1.473 15 residues pruned to eliminate duplicates Z: 79 43.192 2.072 0.778 0.568 0.923 0.462 CB 1.346 79 residues pruned to eliminate duplicates Z: 14 24.339 2.091 0.773 0.898 0.846 0.385 CB 1.539 14 residues pruned to eliminate duplicates Z: 31 19.366 2.014 0.562 0.423 0.867 0.600 CB 1.406 31 residues pruned to eliminate duplicates Z: 22 20.293 2.099 0.755 0.491 0.905 0.571 CB 1.341 22 residues pruned to eliminate duplicates Z: 39 31.123 2.057 0.587 0.619 0.947 0.658 CB 1.459 39 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 35 27.970 2.059 0.727 0.497 0.941 0.471 CB 1.438 35 residues pruned to eliminate duplicates Z: 53 30.689 2.088 0.681 0.474 0.865 0.481 CB 1.439 53 residues pruned to eliminate duplicates Z: 41 31.539 2.072 0.740 0.483 0.950 0.525 CB 1.481 41 residues pruned to eliminate duplicates Z: 92 48.230 2.166 0.752 0.528 0.912 0.538 CB 1.421 92 residues pruned to eliminate duplicates Z: 39 34.296 2.091 0.809 0.511 0.974 0.553 CB 1.494 39 residues pruned to eliminate duplicates Z: 51 27.291 2.026 0.643 0.431 0.880 0.540 CB 1.414 51 residues pruned to eliminate duplicates Z: 26 20.682 1.833 0.781 0.548 0.960 0.360 CB 1.260 26 residues pruned to eliminate duplicates Z: 41 33.380 2.076 0.855 0.499 0.900 0.375 CB 1.524 41 residues pruned to eliminate duplicates Z: 52 34.735 2.115 0.743 0.480 0.922 0.471 CB 1.460 52 residues pruned to eliminate duplicates Z: 104 47.873 2.138 0.718 0.539 0.864 0.583 CB 1.431 104 residues pruned to eliminate duplicates Z: 60 37.814 2.115 0.746 0.457 0.949 0.492 CB 1.468 60 residues pruned to eliminate duplicates Z: 47 29.502 2.028 0.624 0.500 0.935 0.543 CB 1.413 48 residues pruned to eliminate duplicates Z: 12 16.068 1.939 0.819 0.635 0.818 0.636 CA 1.479 12 residues pruned to eliminate duplicates Z: 51 36.297 2.054 0.947 0.518 0.900 0.560 CB 1.400 51 residues pruned to eliminate duplicates Z: 41 30.687 2.056 0.799 0.492 0.925 0.550 CB 1.430 41 residues pruned to eliminate duplicates Z: 79 52.203 2.109 0.837 0.559 0.936 0.577 CB 1.540 79 residues pruned to eliminate duplicates Z: 93 51.520 2.208 0.745 0.541 0.913 0.598 CB 1.467 93 residues pruned to eliminate duplicates Z: 45 33.332 2.033 0.754 0.487 0.932 0.500 CB 1.533 45 residues pruned to eliminate duplicates Z: 36 23.744 2.099 0.655 0.430 0.886 0.514 CB 1.402 36 residues pruned to eliminate duplicates Z: 52 33.324 2.104 0.686 0.479 0.902 0.451 CB 1.490 52 residues pruned to eliminate duplicates Z: 36 25.187 1.963 0.698 0.499 0.886 0.429 CB 1.443 36 residues pruned to eliminate duplicates Z: 51 31.741 2.060 0.775 0.471 0.900 0.480 CB 1.405 51 residues pruned to eliminate duplicates Z: 40 34.313 2.085 0.824 0.546 0.949 0.538 CB 1.455 39 residues pruned to eliminate duplicates 6 1.528 1.659 0.007 0.150 0.800 0.200 CB 0.787 ? Z: 7 4.456 1.919 0.639 0.338 0.667 0.500 CA 1.036 7 residues pruned to eliminate duplicates Z: 51 33.282 2.104 0.743 0.486 0.880 0.420 CB 1.479 51 residues pruned to eliminate duplicates Z: 36 23.691 2.087 0.647 0.463 0.857 0.514 CB 1.412 36 residues pruned to eliminate duplicates Z: 92 52.669 2.199 0.750 0.546 0.934 0.549 CB 1.469 93 residues pruned to eliminate duplicates Z: 6 7.809 1.768 0.778 0.463 0.800 0.800 CA 1.442 6 residues pruned to eliminate duplicates Z: 53 31.536 2.088 0.670 0.444 0.885 0.519 CB 1.502 53 residues pruned to eliminate duplicates Z: 35 22.472 1.988 0.714 0.399 0.912 0.618 CB 1.381 35 residues pruned to eliminate duplicates Z: 26 23.366 2.361 0.684 0.408 0.840 0.560 CB 1.540 26 residues pruned to eliminate duplicates Z: 19 21.587 2.278 0.984 0.313 0.833 0.500 CB 1.661 19 residues pruned to eliminate duplicates Z: 25 33.856 2.373 0.775 0.465 0.958 0.583 CB 1.774 25 residues pruned to eliminate duplicates Z: 19 24.428 2.303 0.914 0.391 0.833 0.667 CB 1.760 19 residues pruned to eliminate duplicates Z: 35 24.027 2.043 0.659 0.422 0.971 0.529 CB 1.360 35 residues pruned to eliminate duplicates Z: 105 50.951 2.183 0.643 0.520 0.923 0.587 CB 1.479 105 residues pruned to eliminate duplicates Z: 27 34.564 2.353 0.929 0.493 0.923 0.808 CB 1.629 27 residues pruned to eliminate duplicates Z: 28 30.140 2.274 0.833 0.506 0.926 0.778 CB 1.493 28 residues pruned to eliminate duplicates Z: 65 50.342 2.336 0.674 0.554 0.953 0.609 CB 1.602 65 residues pruned to eliminate duplicates Z: 25 39.822 2.413 0.976 0.553 1.000 0.542 CB 1.620 25 residues pruned to eliminate duplicates Z: 37 22.478 2.048 0.462 0.509 0.889 0.417 CB 1.396 37 residues pruned to eliminate duplicates Z: 64 45.336 2.306 0.631 0.563 0.921 0.556 CB 1.553 64 residues pruned to eliminate duplicates Z: 66 47.397 2.274 0.790 0.569 0.877 0.631 CB 1.541 66 residues pruned to eliminate duplicates Z: 90 34.923 2.033 0.600 0.451 0.899 0.528 CB 1.332 90 residues pruned to eliminate duplicates Z: 51 28.789 2.077 0.577 0.514 0.880 0.560 CB 1.393 51 residues pruned to eliminate duplicates Z: 70 36.566 2.116 0.709 0.446 0.870 0.551 CB 1.480 70 residues pruned to eliminate duplicates Z: 110 53.652 2.217 0.654 0.540 0.927 0.578 CB 1.455 110 residues pruned to eliminate duplicates Z: 49 24.710 2.030 0.546 0.394 0.875 0.396 CB 1.452 49 residues pruned to eliminate duplicates Z: 39 28.180 2.042 0.646 0.513 0.921 0.395 CB 1.457 39 residues pruned to eliminate duplicates Z: 39 28.866 2.036 0.642 0.509 0.947 0.421 CB 1.465 39 residues pruned to eliminate duplicates Z: 38 32.317 2.103 0.698 0.526 0.973 0.595 CB 1.490 38 residues pruned to eliminate duplicates Z: 52 30.656 2.059 0.656 0.458 0.922 0.471 CB 1.426 52 residues pruned to eliminate duplicates Z: 53 28.126 2.056 0.576 0.451 0.885 0.385 CB 1.430 53 residues pruned to eliminate duplicates Z: 52 32.912 2.115 0.641 0.461 0.922 0.431 CB 1.499 52 residues pruned to eliminate duplicates Z: 37 24.995 2.045 0.572 0.467 0.889 0.500 CB 1.507 37 residues pruned to eliminate duplicates Z: 46 31.827 2.116 0.588 0.509 0.933 0.444 CB 1.499 46 residues pruned to eliminate duplicates Z: 43 30.406 2.115 0.554 0.526 0.952 0.524 CB 1.461 43 residues pruned to eliminate duplicates Z: 39 29.740 2.121 0.641 0.534 0.947 0.500 CB 1.415 39 residues pruned to eliminate duplicates Z: 37 22.513 2.074 0.492 0.426 0.889 0.500 CB 1.473 37 residues pruned to eliminate duplicates Z: 50 25.941 2.021 0.613 0.455 0.857 0.469 CB 1.389 50 residues pruned to eliminate duplicates Z: 50 31.751 2.119 0.600 0.482 0.959 0.531 CB 1.420 50 residues pruned to eliminate duplicates Z: 35 26.421 2.102 0.532 0.482 0.941 0.529 CB 1.523 35 residues pruned to eliminate duplicates Z: 96 43.538 2.110 0.557 0.521 0.905 0.568 CB 1.472 96 residues pruned to eliminate duplicates Z: 44 34.561 2.119 0.672 0.525 0.953 0.512 CB 1.522 44 residues pruned to eliminate duplicates Z: 31 21.264 2.011 0.595 0.459 0.900 0.600 CB 1.403 31 residues pruned to eliminate duplicates Z: 46 30.469 2.120 0.587 0.499 0.933 0.533 CB 1.448 46 residues pruned to eliminate duplicates Z: 38 30.357 2.066 0.635 0.545 0.946 0.676 CB 1.495 38 residues pruned to eliminate duplicates Z: 40 28.580 2.072 0.684 0.537 0.897 0.538 CB 1.410 40 residues pruned to eliminate duplicates Z: 46 30.034 2.103 0.625 0.488 0.911 0.489 CB 1.455 46 residues pruned to eliminate duplicates Z: 75 46.329 2.209 0.715 0.556 0.919 0.568 CB 1.465 75 residues pruned to eliminate duplicates Z: 57 29.466 2.074 0.597 0.427 0.911 0.464 CB 1.407 57 residues pruned to eliminate duplicates Z: 100 54.282 2.199 0.688 0.558 0.919 0.606 CB 1.512 100 residues pruned to eliminate duplicates Z: 51 29.493 2.086 0.623 0.463 0.920 0.420 CB 1.390 51 residues pruned to eliminate duplicates Z: 50 26.378 2.076 0.528 0.413 0.878 0.367 CB 1.483 50 residues pruned to eliminate duplicates Z: 36 24.606 2.072 0.535 0.434 0.914 0.429 CB 1.531 36 residues pruned to eliminate duplicates Z: 50 29.100 2.118 0.618 0.470 0.898 0.429 CB 1.393 50 residues pruned to eliminate duplicates Z: 46 31.098 2.118 0.611 0.482 0.933 0.556 CB 1.483 46 residues pruned to eliminate duplicates Z: 52 29.285 2.091 0.571 0.438 0.922 0.431 CB 1.445 52 residues pruned to eliminate duplicates Z: 42 25.182 2.066 0.543 0.455 0.878 0.537 CB 1.472 42 residues pruned to eliminate duplicates Z: 47 28.515 2.075 0.548 0.490 0.891 0.522 CB 1.483 47 residues pruned to eliminate duplicates Z: 50 28.567 2.044 0.657 0.507 0.878 0.531 CB 1.364 50 residues pruned to eliminate duplicates Z: 84 43.402 2.175 0.605 0.553 0.892 0.627 CB 1.453 84 residues pruned to eliminate duplicates Z: 22 9.787 1.970 0.350 0.264 0.810 0.429 CB 1.299 22 residues pruned to eliminate duplicates Z: 42 24.126 2.048 0.498 0.432 0.927 0.512 CB 1.422 42 residues pruned to eliminate duplicates Z: 50 26.608 2.062 0.597 0.455 0.878 0.490 CB 1.377 50 residues pruned to eliminate duplicates Z: 53 29.795 2.083 0.573 0.490 0.923 0.519 CB 1.379 53 residues pruned to eliminate duplicates Z: 52 28.861 2.081 0.641 0.483 0.882 0.529 CB 1.365 52 residues pruned to eliminate duplicates Z: 43 21.212 2.047 0.449 0.412 0.857 0.524 CB 1.411 43 residues pruned to eliminate duplicates Z: 18 13.108 2.104 0.382 0.426 0.765 0.471 CB 1.544 18 residues pruned to eliminate duplicates Z: 9 6.889 1.854 0.647 0.198 0.750 0.375 CB 1.523 9 residues pruned to eliminate duplicates Z: 8 4.775 1.982 0.350 0.224 0.714 0.429 CB 1.304 8 residues pruned to eliminate duplicates Z: 130 60.505 2.188 0.669 0.571 0.915 0.589 CB 1.489 130 residues pruned to eliminate duplicates Z: 80 46.546 2.178 0.624 0.578 0.911 0.620 CB 1.507 80 residues pruned to eliminate duplicates Z: 74 42.272 2.166 0.574 0.583 0.918 0.575 CB 1.459 74 residues pruned to eliminate duplicates Z: 88 52.279 2.213 0.720 0.604 0.885 0.655 CB 1.507 88 residues pruned to eliminate duplicates Z: 26 36.572 2.342 0.512 0.843 0.960 0.920 CA 1.602 26 residues pruned to eliminate duplicates Z: 41 35.133 2.225 0.696 0.610 0.875 0.675 CB 1.516 41 residues pruned to eliminate duplicates Z: 64 57.382 2.295 0.828 0.653 0.952 0.619 CB 1.569 64 residues pruned to eliminate duplicates Z: 46 37.545 2.260 0.732 0.604 0.867 0.689 CB 1.495 46 residues pruned to eliminate duplicates Z: 54 43.502 2.276 0.792 0.606 0.906 0.698 CB 1.463 54 residues pruned to eliminate duplicates Z: 38 37.688 2.249 0.756 0.641 0.892 0.703 CB 1.542 38 residues pruned to eliminate duplicates Z: 34 37.446 2.278 0.843 0.640 0.909 0.697 CB 1.499 34 residues pruned to eliminate duplicates Z: 46 38.259 2.279 0.677 0.601 0.889 0.667 CB 1.525 46 residues pruned to eliminate duplicates Z: 80 54.709 2.247 0.719 0.600 0.962 0.696 CB 1.505 80 residues pruned to eliminate duplicates Z: 38 38.576 2.280 0.738 0.698 0.892 0.649 CB 1.498 38 residues pruned to eliminate duplicates Z: 50 40.332 2.196 0.764 0.525 0.939 0.612 CB 1.545 50 residues pruned to eliminate duplicates Z: 51 43.453 2.263 0.952 0.588 0.880 0.700 CB 1.453 51 residues pruned to eliminate duplicates Z: 37 41.961 2.291 0.866 0.652 0.917 0.583 CB 1.549 37 residues pruned to eliminate duplicates Z: 30 50.239 2.281 1.018 0.799 1.000 0.621 CB 1.561 30 residues pruned to eliminate duplicates Z: 74 40.440 2.159 0.681 0.500 0.877 0.534 CB 1.487 74 residues pruned to eliminate duplicates Z: 37 45.599 2.331 0.858 0.684 0.917 0.472 CB 1.617 37 residues pruned to eliminate duplicates Z: 93 58.027 2.238 0.841 0.590 0.891 0.576 CB 1.511 93 residues pruned to eliminate duplicates Z: 91 58.951 2.241 0.830 0.585 0.922 0.611 CB 1.515 91 residues pruned to eliminate duplicates Z: 66 43.730 2.200 0.803 0.554 0.892 0.462 CB 1.454 66 residues pruned to eliminate duplicates Z: 50 40.704 2.182 0.966 0.547 0.878 0.490 CB 1.475 50 residues pruned to eliminate duplicates Z: 35 48.162 2.327 1.018 0.712 0.882 0.471 CB 1.645 35 residues pruned to eliminate duplicates Z: 39 44.608 2.258 1.031 0.639 0.895 0.500 CB 1.547 39 residues pruned to eliminate duplicates Z: 78 59.664 2.258 0.911 0.626 0.922 0.506 CB 1.518 78 residues pruned to eliminate duplicates Z: 79 58.508 2.289 0.860 0.628 0.910 0.551 CB 1.516 79 residues pruned to eliminate duplicates Z: 90 50.009 2.180 0.776 0.528 0.899 0.461 CB 1.482 90 residues pruned to eliminate duplicates Z: 56 52.644 2.232 1.087 0.594 0.927 0.600 CB 1.502 56 residues pruned to eliminate duplicates Z: 46 46.702 2.286 1.008 0.614 0.911 0.467 CB 1.494 46 residues pruned to eliminate duplicates Z: 93 51.166 2.126 0.849 0.524 0.913 0.457 CB 1.452 93 residues pruned to eliminate duplicates Z: 130 64.891 2.185 0.831 0.565 0.899 0.535 CB 1.490 130 residues pruned to eliminate duplicates Z: 131 66.883 2.226 0.827 0.571 0.915 0.523 CB 1.471 131 residues pruned to eliminate duplicates Z: 99 57.511 2.210 0.833 0.572 0.929 0.571 CB 1.441 99 residues pruned to eliminate duplicates Z: 48 53.481 2.318 1.035 0.659 0.915 0.489 CB 1.561 48 residues pruned to eliminate duplicates Z: 57 43.640 2.220 0.950 0.560 0.875 0.482 CB 1.452 57 residues pruned to eliminate duplicates Z: 147 73.070 2.247 0.805 0.559 0.925 0.521 CB 1.523 147 residues pruned to eliminate duplicates Z: 49 46.693 2.268 0.977 0.641 0.896 0.500 CB 1.471 49 residues pruned to eliminate duplicates Z: 55 49.510 2.268 0.994 0.604 0.889 0.481 CB 1.518 55 residues pruned to eliminate duplicates Z: 55 45.178 2.263 0.844 0.596 0.907 0.500 CB 1.481 55 residues pruned to eliminate duplicates Z: 30 42.592 2.271 0.966 0.715 0.966 0.655 CB 1.509 30 residues pruned to eliminate duplicates Z: 42 39.732 2.263 0.751 0.639 0.902 0.707 CB 1.524 42 residues pruned to eliminate duplicates Z: 63 41.153 2.234 0.743 0.537 0.887 0.597 CB 1.459 51 residues pruned to eliminate duplicates Z: 6 6.539 1.887 0.716 0.306 0.800 0.400 CB 1.400 6 residues pruned to eliminate duplicates Z: 33 42.419 2.307 0.810 0.741 0.938 0.812 CB 1.543 33 residues pruned to eliminate duplicates Z: 32 48.648 2.332 0.879 0.712 1.000 0.710 CB 1.646 32 residues pruned to eliminate duplicates Z: 49 38.560 2.224 0.789 0.497 0.896 0.562 CB 1.566 49 residues pruned to eliminate duplicates Z: 35 43.371 2.284 0.855 0.663 0.971 0.618 CB 1.556 35 residues pruned to eliminate duplicates Z: 39 39.324 2.323 0.670 0.635 0.974 0.684 CB 1.489 39 residues pruned to eliminate duplicates Z: 36 35.626 2.228 0.768 0.577 0.886 0.486 CB 1.602 36 residues pruned to eliminate duplicates Z: 62 49.429 2.323 0.674 0.544 0.967 0.623 CB 1.612 62 residues pruned to eliminate duplicates Z: 40 36.350 2.304 0.642 0.616 0.923 0.590 CB 1.494 40 residues pruned to eliminate duplicates Z: 44 40.455 2.261 0.808 0.601 0.953 0.698 CB 1.438 44 residues pruned to eliminate duplicates Z: 35 40.636 2.280 0.804 0.682 0.912 0.676 CB 1.573 35 residues pruned to eliminate duplicates Z: 32 40.190 2.310 0.840 0.645 0.935 0.774 CB 1.584 32 residues pruned to eliminate duplicates Z: 83 55.424 2.253 0.936 0.588 0.890 0.500 CB 1.449 41 residues pruned to eliminate duplicates Z: 20 37.945 2.327 0.789 0.885 0.947 0.842 CB 1.593 20 residues pruned to eliminate duplicates Z: 133 68.708 2.204 0.891 0.566 0.917 0.500 CB 1.468 82 residues pruned to eliminate duplicates Z: 20 37.038 2.343 0.598 0.886 1.000 0.842 CB 1.637 20 residues pruned to eliminate duplicates Z: 80 56.466 2.215 0.906 0.644 0.886 0.544 CB 1.484 80 residues pruned to eliminate duplicates Z: 42 36.043 2.194 0.635 0.616 0.951 0.537 CB 1.478 42 residues pruned to eliminate duplicates Z: 43 40.051 2.276 0.722 0.639 0.952 0.619 CB 1.453 43 residues pruned to eliminate duplicates Z: 45 34.462 2.199 0.594 0.591 0.886 0.591 CB 1.533 45 residues pruned to eliminate duplicates Z: 58 31.817 2.131 0.640 0.492 0.860 0.491 CB 1.414 58 residues pruned to eliminate duplicates Z: 35 33.229 2.287 0.666 0.474 0.971 0.529 CB 1.583 35 residues pruned to eliminate duplicates Z: 40 40.104 2.308 0.641 0.661 0.949 0.538 CB 1.540 40 residues pruned to eliminate duplicates Z: 64 47.564 2.294 0.687 0.564 0.937 0.571 CB 1.554 64 residues pruned to eliminate duplicates Z: 87 57.214 2.233 0.843 0.615 0.907 0.558 CB 1.483 87 residues pruned to eliminate duplicates Z: 37 39.694 2.282 0.686 0.602 0.944 0.528 CB 1.653 37 residues pruned to eliminate duplicates Z: 102 74.167 2.342 0.857 0.615 0.941 0.505 CB 1.619 102 residues pruned to eliminate duplicates Z: 31 29.348 2.244 0.573 0.628 0.867 0.433 CB 1.553 31 residues pruned to eliminate duplicates Z: 42 33.109 2.242 0.533 0.612 0.902 0.585 CB 1.499 42 residues pruned to eliminate duplicates Z: 55 34.635 2.176 0.699 0.543 0.870 0.556 CB 1.404 55 residues pruned to eliminate duplicates Z: 79 51.286 2.307 0.677 0.613 0.897 0.654 CB 1.502 79 residues pruned to eliminate duplicates Z: 47 43.084 2.255 0.750 0.630 0.957 0.674 CB 1.490 47 residues pruned to eliminate duplicates Z: 56 36.807 2.176 0.586 0.590 0.909 0.564 CB 1.452 56 residues pruned to eliminate duplicates Z: 29 15.297 1.943 0.416 0.430 0.857 0.536 CB 1.318 29 residues pruned to eliminate duplicates Z: 12 10.481 2.123 0.252 0.428 1.000 0.364 CB 1.281 12 residues pruned to eliminate duplicates Z: 13 7.619 2.042 0.250 0.398 0.750 0.333 CB 1.279 13 residues pruned to eliminate duplicates Z: 40 16.398 1.988 0.451 0.399 0.795 0.385 CB 1.274 40 residues pruned to eliminate duplicates Z: 48 29.842 2.072 0.671 0.497 0.894 0.553 CB 1.411 48 residues pruned to eliminate duplicates Z: 77 50.117 2.204 0.833 0.551 0.908 0.592 CB 1.491 77 residues pruned to eliminate duplicates Z: 40 20.827 2.064 0.489 0.429 0.872 0.513 CB 1.340 40 residues pruned to eliminate duplicates Z: 52 31.334 2.063 0.682 0.491 0.882 0.510 CB 1.446 52 residues pruned to eliminate duplicates Z: 28 29.416 2.298 0.873 0.492 0.926 0.556 CB 1.432 28 residues pruned to eliminate duplicates Z: 50 28.127 2.026 0.682 0.467 0.878 0.490 CB 1.390 50 residues pruned to eliminate duplicates Z: 9 4.861 1.748 0.234 0.141 0.875 0.375 CB 1.421 9 residues pruned to eliminate duplicates Z: 47 43.208 2.282 0.862 0.596 0.870 0.717 CB 1.573 47 residues pruned to eliminate duplicates Z: 41 41.351 2.273 0.821 0.658 0.925 0.675 CB 1.475 41 residues pruned to eliminate duplicates Z: 92 46.863 2.147 0.681 0.537 0.879 0.516 CB 1.493 92 residues pruned to eliminate duplicates Z: 49 35.640 2.228 0.612 0.588 0.896 0.625 CB 1.470 49 residues pruned to eliminate duplicates Z: 27 26.547 2.142 0.738 0.607 0.885 0.577 CB 1.428 27 residues pruned to eliminate duplicates Z: 90 49.347 2.197 0.734 0.549 0.899 0.551 CB 1.456 90 residues pruned to eliminate duplicates Z: 62 37.292 2.230 0.621 0.567 0.869 0.574 CB 1.425 62 residues pruned to eliminate duplicates Z: 20 35.436 2.364 0.772 0.810 1.000 0.789 CB 1.481 20 residues pruned to eliminate duplicates Z: 47 43.021 2.284 0.810 0.605 0.891 0.674 CB 1.558 47 residues pruned to eliminate duplicates Z: 40 44.894 2.244 0.860 0.647 0.923 0.667 CB 1.627 40 residues pruned to eliminate duplicates Z: 48 43.168 2.285 0.860 0.583 0.894 0.532 CB 1.531 48 residues pruned to eliminate duplicates Z: 28 43.805 2.294 0.944 0.807 0.926 0.741 CB 1.562 28 residues pruned to eliminate duplicates Z: 65 45.777 2.211 0.879 0.576 0.875 0.672 CB 1.464 65 residues pruned to eliminate duplicates Z: 28 44.743 2.301 0.845 0.812 0.963 0.852 CB 1.606 28 residues pruned to eliminate duplicates Z: 50 43.758 2.282 0.796 0.610 0.918 0.633 CB 1.495 50 residues pruned to eliminate duplicates Z: 52 42.815 2.274 0.851 0.576 0.902 0.451 CB 1.467 52 residues pruned to eliminate duplicates Z: 46 44.346 2.276 0.901 0.597 0.911 0.622 CB 1.529 46 residues pruned to eliminate duplicates Z: 49 39.629 2.201 0.835 0.554 0.917 0.625 CB 1.466 49 residues pruned to eliminate duplicates Z: 50 41.408 2.241 0.884 0.590 0.918 0.612 CB 1.400 50 residues pruned to eliminate duplicates Z: 104 49.558 2.136 0.723 0.532 0.913 0.553 CB 1.408 104 residues pruned to eliminate duplicates Z: 51 46.313 2.259 0.885 0.638 0.900 0.520 CB 1.501 51 residues pruned to eliminate duplicates Z: 48 40.516 2.172 0.897 0.597 0.915 0.574 CB 1.429 48 residues pruned to eliminate duplicates Z: 48 32.818 2.196 0.790 0.565 0.830 0.426 CB 1.377 48 residues pruned to eliminate duplicates Z: 40 42.509 2.276 1.000 0.673 0.897 0.385 CB 1.421 40 residues pruned to eliminate duplicates Z: 39 46.201 2.273 0.996 0.661 0.947 0.421 CB 1.503 39 residues pruned to eliminate duplicates Z: 54 42.810 2.195 0.879 0.594 0.868 0.377 CB 1.501 54 residues pruned to eliminate duplicates Z: 28 29.416 2.153 0.724 0.600 0.889 0.519 CA 1.560 28 residues pruned to eliminate duplicates Z: 43 47.213 2.263 1.062 0.633 0.929 0.548 CB 1.484 43 residues pruned to eliminate duplicates Z: 40 47.031 2.255 1.103 0.636 0.923 0.410 CB 1.515 40 residues pruned to eliminate duplicates Z: 40 47.904 2.201 1.032 0.676 0.949 0.308 CB 1.538 40 residues pruned to eliminate duplicates Z: 25 36.340 2.227 0.902 0.664 0.958 0.542 CB 1.571 25 residues pruned to eliminate duplicates Z: 38 51.100 2.285 1.120 0.700 0.946 0.514 CB 1.527 38 residues pruned to eliminate duplicates Z: 42 41.283 2.219 1.011 0.655 0.878 0.366 CB 1.425 42 residues pruned to eliminate duplicates Z: 37 49.544 2.255 1.109 0.683 0.944 0.500 CB 1.554 37 residues pruned to eliminate duplicates Z: 49 45.374 2.266 0.996 0.578 0.917 0.417 CB 1.464 49 residues pruned to eliminate duplicates Z: 46 39.190 2.166 0.967 0.577 0.889 0.289 CB 1.432 46 residues pruned to eliminate duplicates Z: 52 33.820 2.075 0.773 0.590 0.843 0.451 CB 1.400 52 residues pruned to eliminate duplicates Z: 9 6.726 1.895 0.419 0.515 0.750 0.500 CB 1.162 9 residues pruned to eliminate duplicates Z: 92 59.986 2.223 0.824 0.640 0.901 0.495 CB 1.510 92 residues pruned to eliminate duplicates Z: 19 25.978 2.225 0.711 0.538 0.944 0.556 CB 1.640 19 residues pruned to eliminate duplicates Z: 17 17.051 2.120 0.801 0.543 0.750 0.625 CA 1.428 17 residues pruned to eliminate duplicates Z: 12 15.125 2.101 0.778 0.512 0.818 0.818 CB 1.475 12 residues pruned to eliminate duplicates Z: 18 21.145 2.004 0.754 0.516 1.000 0.824 CB 1.436 18 residues pruned to eliminate duplicates Z: 44 37.464 2.218 0.584 0.641 0.930 0.628 CB 1.532 44 residues pruned to eliminate duplicates Z: 18 25.817 2.162 0.700 0.553 1.000 0.647 CB 1.617 18 residues pruned to eliminate duplicates Z: 41 40.666 2.286 0.753 0.627 0.950 0.650 CB 1.499 41 residues pruned to eliminate duplicates Z: 77 60.304 2.259 0.880 0.669 0.921 0.592 CB 1.513 77 residues pruned to eliminate duplicates Z: 49 48.171 2.228 0.965 0.639 0.938 0.375 CB 1.487 49 residues pruned to eliminate duplicates Z: 88 59.811 2.240 0.892 0.594 0.897 0.506 CB 1.543 88 residues pruned to eliminate duplicates Z: 109 46.828 2.192 0.503 0.500 0.917 0.519 CB 1.492 109 residues pruned to eliminate duplicates Z: 42 32.556 2.223 0.626 0.546 0.902 0.634 CB 1.490 42 residues pruned to eliminate duplicates Z: 65 50.404 2.332 0.587 0.577 0.969 0.672 CB 1.631 65 residues pruned to eliminate duplicates Z: 43 34.543 2.243 0.575 0.594 0.905 0.571 CB 1.525 43 residues pruned to eliminate duplicates Z: 34 32.575 2.220 0.539 0.654 0.970 0.727 CB 1.483 34 residues pruned to eliminate duplicates Z: 42 31.310 2.109 0.542 0.599 0.902 0.610 CB 1.515 42 residues pruned to eliminate duplicates Z: 38 32.612 2.228 0.754 0.576 0.865 0.568 CB 1.474 38 residues pruned to eliminate duplicates Z: 43 40.207 2.267 0.636 0.605 0.976 0.619 CB 1.551 43 residues pruned to eliminate duplicates Z: 38 40.053 2.301 0.649 0.615 0.973 0.622 CB 1.600 38 residues pruned to eliminate duplicates Z: 44 35.826 2.202 0.557 0.621 0.953 0.651 CB 1.491 44 residues pruned to eliminate duplicates Z: 44 32.333 2.189 0.496 0.573 0.953 0.628 CB 1.471 44 residues pruned to eliminate duplicates Z: 91 50.709 2.240 0.628 0.515 0.944 0.500 CB 1.529 91 residues pruned to eliminate duplicates Z: 43 38.072 2.236 0.666 0.630 0.905 0.762 CB 1.542 43 residues pruned to eliminate duplicates Z: 63 39.682 2.276 0.609 0.503 0.903 0.597 CB 1.519 63 residues pruned to eliminate duplicates Z: 42 34.535 2.256 0.531 0.597 0.951 0.634 CB 1.496 42 residues pruned to eliminate duplicates Z: 139 71.357 2.230 0.868 0.579 0.920 0.522 CB 1.469 139 residues pruned to eliminate duplicates Z: 54 38.480 2.258 0.655 0.515 0.925 0.660 CB 1.508 54 residues pruned to eliminate duplicates Z: 42 37.205 2.255 0.725 0.556 0.927 0.561 CB 1.527 42 residues pruned to eliminate duplicates Z: 44 33.521 2.177 0.645 0.593 0.884 0.581 CB 1.478 44 residues pruned to eliminate duplicates Z: 28 26.625 2.221 0.584 0.635 0.926 0.704 CB 1.385 28 residues pruned to eliminate duplicates Z: 49 31.131 2.163 0.513 0.556 0.896 0.542 CB 1.451 49 residues pruned to eliminate duplicates Z: 153 71.743 2.224 0.831 0.563 0.914 0.500 CB 1.469 153 residues pruned to eliminate duplicates Z: 24 24.312 2.233 0.658 0.662 0.783 0.652 CB 1.506 24 residues pruned to eliminate duplicates Z: 67 50.739 2.327 0.744 0.532 0.924 0.606 CB 1.613 67 residues pruned to eliminate duplicates Z: 26 31.401 2.193 0.656 0.663 0.960 0.640 CB 1.549 26 residues pruned to eliminate duplicates Z: 41 36.949 2.256 0.772 0.615 0.900 0.625 CB 1.456 41 residues pruned to eliminate duplicates Z: 26 26.383 2.329 0.767 0.390 0.920 0.680 CB 1.566 26 residues pruned to eliminate duplicates Z: 33 35.987 2.335 0.642 0.638 0.875 0.750 CB 1.666 33 residues pruned to eliminate duplicates Z: 63 47.035 2.349 0.646 0.541 0.919 0.581 CB 1.614 63 residues pruned to eliminate duplicates Z: 26 31.870 2.390 0.739 0.468 1.000 0.640 CB 1.584 26 residues pruned to eliminate duplicates Z: 33 24.341 2.071 0.682 0.423 0.938 0.531 CB 1.428 33 residues pruned to eliminate duplicates Z: 34 27.114 2.123 0.603 0.459 0.970 0.606 CB 1.492 34 residues pruned to eliminate duplicates Z: 25 32.036 2.377 0.836 0.469 0.958 0.542 CB 1.614 25 residues pruned to eliminate duplicates Z: 27 28.387 2.298 0.774 0.418 0.923 0.577 CB 1.612 27 residues pruned to eliminate duplicates Z: 57 44.150 2.352 0.711 0.533 0.893 0.661 CB 1.589 57 residues pruned to eliminate duplicates Z: 30 30.200 2.298 0.795 0.404 0.931 0.483 CB 1.616 30 residues pruned to eliminate duplicates Z: 60 49.411 2.273 0.840 0.554 0.949 0.559 CB 1.538 60 residues pruned to eliminate duplicates Z: 12 26.494 2.395 0.830 0.580 0.909 0.818 CB 1.856 12 residues pruned to eliminate duplicates Z: 25 36.493 2.399 0.864 0.496 0.958 0.667 CB 1.746 25 residues pruned to eliminate duplicates Z: 23 29.550 2.375 0.661 0.468 0.955 0.636 CB 1.729 23 residues pruned to eliminate duplicates Z: 37 25.133 2.029 0.647 0.463 0.889 0.472 CB 1.464 37 residues pruned to eliminate duplicates Z: 22 39.629 2.385 1.036 0.543 1.000 0.762 CB 1.708 22 residues pruned to eliminate duplicates Z: 52 37.540 2.115 0.819 0.482 0.941 0.529 CB 1.478 52 residues pruned to eliminate duplicates Z: 32 29.024 2.294 0.674 0.438 0.935 0.613 CB 1.547 32 residues pruned to eliminate duplicates Z: 62 42.931 2.164 0.688 0.550 0.934 0.623 CB 1.533 62 residues pruned to eliminate duplicates Z: 64 47.508 2.287 0.737 0.560 0.905 0.635 CB 1.572 64 residues pruned to eliminate duplicates Z: 25 29.741 2.348 0.806 0.451 0.917 0.625 CB 1.642 25 residues pruned to eliminate duplicates Z: 26 24.805 2.317 0.520 0.453 0.920 0.680 CB 1.607 26 residues pruned to eliminate duplicates Z: 24 34.352 2.348 0.785 0.521 0.957 0.565 CB 1.750 24 residues pruned to eliminate duplicates Z: 48 35.049 2.110 0.684 0.479 0.936 0.617 CB 1.571 48 residues pruned to eliminate duplicates Z: 25 31.388 2.344 0.691 0.484 0.917 0.667 CB 1.791 25 residues pruned to eliminate duplicates Z: 24 31.698 2.395 0.811 0.479 0.913 0.478 CB 1.705 24 residues pruned to eliminate duplicates Z: 104 65.688 2.321 0.842 0.584 0.903 0.544 CB 1.546 104 residues pruned to eliminate duplicates Z: 10 7.451 1.490 0.617 0.720 0.889 0.444 CB 0.950 10 residues pruned to eliminate duplicates Z: 10 6.396 1.480 0.439 0.758 0.889 0.556 CB 0.895 10 residues pruned to eliminate duplicates Z: 10 4.347 1.463 0.594 0.604 0.889 0.556 CB 0.633 10 residues pruned to eliminate duplicates Z: 43 19.111 1.862 0.542 0.505 0.881 0.500 CB 1.160 51 residues pruned to eliminate duplicates Z: 49 20.233 1.901 0.507 0.463 0.896 0.479 CB 1.182 49 residues pruned to eliminate duplicates Z: 38 19.896 1.911 0.532 0.479 0.946 0.514 CB 1.207 38 residues pruned to eliminate duplicates Z: 28 16.472 1.819 0.511 0.561 0.963 0.630 CB 1.129 Z: 7 3.156 1.389 0.241 0.286 1.000 0.167 CA 0.951 7 residues pruned to eliminate duplicates Z: 33 22.214 2.010 0.547 0.476 0.969 0.594 CB 1.335 61 residues pruned to eliminate duplicates Z: 37 20.084 1.998 0.507 0.454 0.917 0.528 CB 1.270 37 residues pruned to eliminate duplicates Z: 36 15.997 1.876 0.444 0.399 0.914 0.457 CB 1.215 36 residues pruned to eliminate duplicates Z: 79 38.185 2.047 0.633 0.541 0.897 0.590 CB 1.384 47 residues pruned to eliminate duplicates Z: 6 9.904 2.122 0.732 0.278 1.000 0.400 CA 1.549 6 residues pruned to eliminate duplicates Z: 27 18.806 1.985 0.579 0.508 0.923 0.500 CB 1.265 28 residues pruned to eliminate duplicates 6 0.831 1.689 0.560 0.300 0.600 0.200 CB 0.294 ? Z: 7 3.814 1.626 0.510 0.235 0.667 0.500 CB 1.295 7 residues pruned to eliminate duplicates Z: 34 16.353 1.961 0.459 0.400 0.848 0.485 CB 1.303 34 residues pruned to eliminate duplicates Z: 38 19.945 1.977 0.502 0.449 0.892 0.514 CB 1.304 38 residues pruned to eliminate duplicates Z: 33 18.820 1.932 0.573 0.465 0.938 0.375 CB 1.210 32 residues pruned to eliminate duplicates Z: 6 2.472 1.542 0.020 0.281 0.800 0.600 C 1.125 6 residues pruned to eliminate duplicates Z: 39 31.578 2.147 0.449 0.657 0.921 0.711 CB 1.545 39 residues pruned to eliminate duplicates Z: 71 34.565 2.043 0.590 0.552 0.900 0.514 CB 1.343 71 residues pruned to eliminate duplicates Z: 80 35.654 2.076 0.498 0.561 0.873 0.646 CB 1.392 80 residues pruned to eliminate duplicates Z: 75 31.387 2.034 0.410 0.540 0.905 0.649 CB 1.351 75 residues pruned to eliminate duplicates Z: 40 30.635 2.080 0.447 0.676 0.923 0.590 CB 1.502 40 residues pruned to eliminate duplicates Z: 46 27.838 2.074 0.396 0.573 0.889 0.667 CA 1.504 46 residues pruned to eliminate duplicates Z: 49 33.150 2.130 0.532 0.605 0.896 0.667 CB 1.482 49 residues pruned to eliminate duplicates Z: 48 28.681 2.076 0.468 0.556 0.894 0.681 CB 1.455 48 residues pruned to eliminate duplicates Z: 46 32.886 2.146 0.528 0.597 0.889 0.600 CB 1.534 46 residues pruned to eliminate duplicates Z: 39 29.237 2.121 0.382 0.678 0.921 0.711 CB 1.491 39 residues pruned to eliminate duplicates Z: 61 33.813 2.135 0.523 0.587 0.883 0.650 CB 1.399 61 residues pruned to eliminate duplicates Z: 39 33.100 2.122 0.464 0.677 0.947 0.711 CB 1.550 39 residues pruned to eliminate duplicates Z: 49 33.036 2.147 0.508 0.585 0.896 0.688 CB 1.515 49 residues pruned to eliminate duplicates Z: 48 30.299 2.104 0.553 0.566 0.872 0.660 CB 1.454 48 residues pruned to eliminate duplicates Z: 48 33.407 2.066 0.577 0.637 0.894 0.660 CB 1.472 48 residues pruned to eliminate duplicates Z: 97 47.480 2.151 0.617 0.531 0.927 0.635 CB 1.458 97 residues pruned to eliminate duplicates Z: 42 35.738 2.178 0.628 0.650 0.927 0.756 CB 1.477 42 residues pruned to eliminate duplicates Z: 47 32.566 2.121 0.516 0.599 0.913 0.696 CB 1.488 47 residues pruned to eliminate duplicates Z: 48 29.745 2.094 0.493 0.571 0.894 0.660 CB 1.450 48 residues pruned to eliminate duplicates Z: 36 27.969 2.149 0.731 0.502 0.886 0.600 CB 1.432 36 residues pruned to eliminate duplicates Z: 39 35.711 2.175 0.672 0.630 0.921 0.658 CB 1.530 39 residues pruned to eliminate duplicates Z: 37 41.358 2.167 0.918 0.704 0.944 0.639 CB 1.459 37 residues pruned to eliminate duplicates Z: 45 36.809 2.136 0.764 0.617 0.886 0.636 CB 1.487 45 residues pruned to eliminate duplicates Z: 46 32.631 2.028 0.703 0.641 0.933 0.578 CB 1.322 46 residues pruned to eliminate duplicates Z: 58 36.333 2.099 0.746 0.578 0.895 0.474 CB 1.361 58 residues pruned to eliminate duplicates Z: 81 40.563 2.073 0.768 0.563 0.875 0.625 CB 1.330 81 residues pruned to eliminate duplicates Z: 47 36.309 2.089 0.788 0.592 0.935 0.587 CB 1.404 47 residues pruned to eliminate duplicates Z: 50 37.665 2.126 0.795 0.592 0.918 0.571 CB 1.406 50 residues pruned to eliminate duplicates Z: 37 45.403 2.210 1.001 0.682 0.944 0.528 CB 1.532 37 residues pruned to eliminate duplicates Z: 88 49.246 2.103 0.690 0.621 0.908 0.621 CB 1.460 88 residues pruned to eliminate duplicates Z: 47 36.075 2.102 0.756 0.573 0.935 0.565 CB 1.437 47 residues pruned to eliminate duplicates Z: 45 37.247 2.147 0.849 0.614 0.886 0.477 CB 1.432 45 residues pruned to eliminate duplicates Z: 42 37.414 2.190 0.779 0.627 0.927 0.390 CB 1.436 42 residues pruned to eliminate duplicates Z: 38 41.089 2.139 0.920 0.702 0.946 0.595 CB 1.446 38 residues pruned to eliminate duplicates Z: 42 34.989 2.127 0.900 0.626 0.878 0.415 CB 1.367 42 residues pruned to eliminate duplicates Z: 46 36.572 2.144 0.832 0.587 0.867 0.467 CB 1.474 46 residues pruned to eliminate duplicates Z: 117 56.974 2.163 0.652 0.564 0.914 0.552 CB 1.523 117 residues pruned to eliminate duplicates Z: 143 60.994 2.124 0.748 0.553 0.915 0.585 CB 1.430 142 residues pruned to eliminate duplicates Z: 7 8.612 1.755 0.606 0.498 0.833 0.833 CA 1.500 7 residues pruned to eliminate duplicates Z: 111 59.148 2.196 0.712 0.579 0.927 0.645 CB 1.500 41 residues pruned to eliminate duplicates Z: 6 2.624 1.403 0.584 0.339 0.800 0.600 CA 0.787 Z: 6 6.642 1.693 0.792 0.419 0.800 0.600 CB 1.332 Z: 63 47.324 2.222 0.626 0.589 0.968 0.677 CB 1.578 75 residues pruned to eliminate duplicates Z: 59 46.203 2.234 0.637 0.574 0.966 0.690 CB 1.600 59 residues pruned to eliminate duplicates Z: 62 42.407 2.188 0.629 0.586 0.918 0.639 CB 1.528 62 residues pruned to eliminate duplicates Z: 61 39.866 2.132 0.591 0.569 0.950 0.650 CB 1.494 61 residues pruned to eliminate duplicates Z: 64 46.641 2.192 0.656 0.572 0.968 0.714 CB 1.559 64 residues pruned to eliminate duplicates Z: 25 25.688 2.184 0.615 0.606 0.917 0.750 CB 1.467 25 residues pruned to eliminate duplicates Z: 63 46.558 2.222 0.640 0.589 0.968 0.726 CB 1.539 63 residues pruned to eliminate duplicates Z: 105 57.845 2.168 0.842 0.576 0.913 0.548 CB 1.445 105 residues pruned to eliminate duplicates Z: 60 46.476 2.257 0.616 0.592 0.966 0.627 CB 1.573 60 residues pruned to eliminate duplicates Z: 41 31.800 2.105 0.561 0.628 0.950 0.675 CB 1.428 41 residues pruned to eliminate duplicates Z: 64 45.340 2.204 0.590 0.556 0.984 0.667 CB 1.569 63 residues pruned to eliminate duplicates Z: 20 26.660 2.145 0.437 0.865 0.947 0.684 CA 1.534 20 residues pruned to eliminate duplicates Z: 61 41.656 2.218 0.591 0.536 0.950 0.667 CB 1.548 61 residues pruned to eliminate duplicates Z: 61 49.777 2.230 0.780 0.599 0.950 0.667 CB 1.550 61 residues pruned to eliminate duplicates Z: 60 45.319 2.246 0.613 0.576 0.949 0.678 CB 1.594 60 residues pruned to eliminate duplicates Z: 62 42.889 2.216 0.537 0.547 0.967 0.639 CB 1.592 62 residues pruned to eliminate duplicates Z: 64 47.079 2.229 0.614 0.574 0.968 0.635 CB 1.585 64 residues pruned to eliminate duplicates Z: 21 22.971 2.118 0.411 0.808 0.900 0.600 CB 1.460 21 residues pruned to eliminate duplicates Z: 42 33.936 2.152 0.574 0.637 0.927 0.732 CB 1.485 42 residues pruned to eliminate duplicates Z: 58 47.285 2.255 0.639 0.568 0.965 0.667 CB 1.644 58 residues pruned to eliminate duplicates Z: 77 45.288 2.169 0.647 0.517 0.961 0.566 CB 1.489 60 residues pruned to eliminate duplicates Z: 19 30.851 2.206 0.625 0.888 0.944 0.778 CB 1.547 19 residues pruned to eliminate duplicates Z: 59 42.863 2.219 0.646 0.540 0.966 0.655 CB 1.535 59 residues pruned to eliminate duplicates Z: 62 45.379 2.204 0.681 0.583 0.967 0.639 CB 1.497 62 residues pruned to eliminate duplicates Z: 59 44.443 2.259 0.582 0.585 0.948 0.621 CB 1.588 59 residues pruned to eliminate duplicates Z: 36 26.160 2.133 0.562 0.585 0.886 0.514 CB 1.381 36 residues pruned to eliminate duplicates Z: 44 32.866 2.088 0.724 0.632 0.930 0.628 CB 1.323 44 residues pruned to eliminate duplicates Z: 65 44.107 2.179 0.625 0.563 0.922 0.594 CB 1.588 65 residues pruned to eliminate duplicates Z: 54 46.905 2.253 0.674 0.591 0.962 0.642 CB 1.627 54 residues pruned to eliminate duplicates Z: 31 27.518 2.231 0.604 0.434 0.933 0.600 CB 1.611 31 residues pruned to eliminate duplicates Z: 55 44.513 2.209 0.674 0.627 0.944 0.630 CB 1.539 55 residues pruned to eliminate duplicates Z: 62 40.853 2.203 0.538 0.550 0.951 0.656 CB 1.545 62 residues pruned to eliminate duplicates Z: 28 24.466 2.250 0.528 0.416 0.963 0.630 CB 1.552 28 residues pruned to eliminate duplicates Z: 64 39.280 2.192 0.481 0.552 0.968 0.635 CB 1.496 64 residues pruned to eliminate duplicates Z: 63 39.113 2.205 0.493 0.553 0.935 0.597 CB 1.531 63 residues pruned to eliminate duplicates Z: 22 32.581 2.413 0.741 0.458 0.952 0.667 CA 1.856 22 residues pruned to eliminate duplicates Z: 27 34.637 2.262 0.808 0.521 0.962 0.654 CB 1.692 27 residues pruned to eliminate duplicates Z: 24 30.606 2.271 0.734 0.444 0.957 0.609 CA 1.796 24 residues pruned to eliminate duplicates Z: 23 33.974 2.441 0.609 0.503 1.000 0.818 CB 1.839 23 residues pruned to eliminate duplicates Z: 16 22.187 2.296 0.862 0.434 0.867 0.667 CB 1.656 16 residues pruned to eliminate duplicates Z: 27 28.787 2.183 0.737 0.456 1.000 0.654 CB 1.558 27 residues pruned to eliminate duplicates Z: 54 45.893 2.221 0.693 0.520 1.000 0.604 CB 1.643 54 residues pruned to eliminate duplicates Z: 24 32.727 2.349 0.808 0.493 0.957 0.652 CB 1.692 24 residues pruned to eliminate duplicates Z: 42 37.238 2.274 0.642 0.574 0.927 0.683 CB 1.565 42 residues pruned to eliminate duplicates Z: 26 33.941 2.308 0.772 0.505 0.960 0.760 CA 1.721 26 residues pruned to eliminate duplicates Z: 16 15.266 2.042 0.591 0.432 0.867 0.600 CB 1.503 16 residues pruned to eliminate duplicates Z: 27 20.088 2.058 0.739 0.388 0.846 0.500 CB 1.465 27 residues pruned to eliminate duplicates Z: 27 34.391 2.290 0.688 0.507 1.000 0.577 CB 1.734 27 residues pruned to eliminate duplicates Z: 52 37.596 2.121 0.627 0.513 0.980 0.588 CB 1.536 52 residues pruned to eliminate duplicates Z: 26 28.734 2.267 0.576 0.496 0.960 0.640 CA 1.682 26 residues pruned to eliminate duplicates Z: 49 37.221 2.137 0.684 0.512 0.958 0.542 CB 1.539 49 residues pruned to eliminate duplicates Z: 64 47.552 2.210 0.622 0.597 0.968 0.683 CB 1.573 64 residues pruned to eliminate duplicates Z: 9 16.262 1.977 0.663 0.724 1.000 0.875 CA 1.429 9 residues pruned to eliminate duplicates Z: 8 14.923 2.121 0.667 0.608 1.000 0.571 CA 1.440 405 residues left after pruning, divided into chains as follows: A: 247 B: 16 C: 21 D: 121 CC for partial structure against native data = 42.19 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.505, Connect. = 0.737 for dens.mod. cycle 1 = 0.300, Contrast = 0.587, Connect. = 0.768 for dens.mod. cycle 2 = 0.300, Contrast = 0.712, Connect. = 0.796 for dens.mod. cycle 3 = 0.300, Contrast = 0.732, Connect. = 0.799 for dens.mod. cycle 4 = 0.300, Contrast = 0.750, Connect. = 0.801 for dens.mod. cycle 5 = 0.300, Contrast = 0.758, Connect. = 0.803 for dens.mod. cycle 6 = 0.300, Contrast = 0.765, Connect. = 0.804 for dens.mod. cycle 7 = 0.300, Contrast = 0.768, Connect. = 0.805 for dens.mod. cycle 8 = 0.300, Contrast = 0.771, Connect. = 0.805 for dens.mod. cycle 9 = 0.300, Contrast = 0.773, Connect. = 0.806 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2340 peaks > 0.5 sigma used to seed fragment search Space for about 608 unique residues taking solvent into account 544 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 42 39.339 2.226 0.713 0.641 0.927 0.756 CB 1.523 B: 41 33.900 2.165 0.761 0.465 0.975 0.575 CB 1.493 C: 32 33.389 2.339 0.850 0.449 0.903 0.645 CB 1.617 D: 20 31.006 2.341 0.396 0.866 0.947 0.737 CB 1.682 2 residues pruned to eliminate duplicates E: 14 24.414 2.362 0.849 0.472 0.923 0.615 CB 1.728 14 residues pruned to eliminate duplicates F: 19 31.917 2.186 0.374 0.922 1.000 0.889 CB 1.762 19 residues pruned to eliminate duplicates G: 16 34.359 2.382 0.668 0.921 0.933 0.733 CB 1.683 16 residues pruned to eliminate duplicates H: 65 52.348 2.279 0.797 0.574 0.922 0.672 CB 1.614 50 residues pruned to eliminate duplicates I: 31 25.823 2.188 0.609 0.404 1.000 0.567 CB 1.481 J: 17 31.690 2.380 0.315 0.906 1.000 0.875 CB 1.800 17 residues pruned to eliminate duplicates K: 21 24.494 2.250 0.899 0.359 0.900 0.700 CB 1.658 21 residues pruned to eliminate duplicates L: 23 30.045 2.420 0.869 0.472 0.909 0.636 CB 1.602 23 residues pruned to eliminate duplicates M: 20 24.080 2.111 0.385 0.856 0.895 0.632 CB 1.558 20 residues pruned to eliminate duplicates N: 14 20.851 2.444 0.545 0.475 0.923 0.846 CA 1.702 14 residues pruned to eliminate duplicates O: 24 29.096 2.382 0.674 0.485 0.913 0.565 CB 1.692 24 residues pruned to eliminate duplicates P: 10 18.249 2.265 0.636 0.603 0.889 0.667 CA 1.674 29 residues pruned to eliminate duplicates Q: 25 46.586 2.285 1.093 0.911 0.958 0.417 CB 1.470 R: 18 34.173 2.273 0.492 0.894 1.000 0.882 CB 1.754 18 residues pruned to eliminate duplicates S: 11 19.926 2.165 0.423 0.834 1.000 0.400 CB 1.533 11 residues pruned to eliminate duplicates T: 10 18.134 2.272 0.633 0.576 0.889 0.667 CA 1.703 10 residues pruned to eliminate duplicates U: 23 44.446 2.386 0.839 0.947 0.955 0.909 CB 1.564 23 residues pruned to eliminate duplicates V: 15 41.982 2.412 1.174 0.934 0.929 0.786 CB 1.607 14 residues pruned to eliminate duplicates W: 51 32.107 1.999 0.771 0.502 0.920 0.540 CB 1.391 X: 12 18.868 2.326 0.541 0.559 0.909 0.727 CA 1.648 12 residues pruned to eliminate duplicates Y: 47 37.264 2.186 0.734 0.508 0.913 0.543 CB 1.576 28 residues pruned to eliminate duplicates Z: 51 36.451 2.158 0.677 0.506 0.980 0.520 CB 1.445 51 residues pruned to eliminate duplicates Z: 26 37.713 2.405 0.871 0.529 0.960 0.640 CB 1.696 26 residues pruned to eliminate duplicates Z: 19 29.628 2.322 0.459 0.900 0.944 0.833 CB 1.559 19 residues pruned to eliminate duplicates Z: 11 19.157 2.191 0.884 0.583 0.900 0.800 CB 1.506 11 residues pruned to eliminate duplicates Z: 22 33.756 2.250 0.559 0.954 0.952 0.810 CB 1.516 Z: 25 44.503 2.303 0.969 0.954 0.958 0.500 CB 1.438 26 residues pruned to eliminate duplicates Z: 16 40.844 2.418 1.021 0.937 0.933 0.667 CB 1.609 16 residues pruned to eliminate duplicates Z: 61 37.391 2.224 0.698 0.568 0.817 0.633 CB 1.466 46 residues pruned to eliminate duplicates Z: 24 48.978 2.362 1.033 0.938 0.957 0.609 CB 1.547 Z: 23 32.961 2.270 0.693 0.799 0.955 0.636 CB 1.475 23 residues pruned to eliminate duplicates Z: 25 37.266 2.156 0.620 0.934 1.000 0.875 CB 1.519 22 residues pruned to eliminate duplicates Z: 25 44.496 2.338 0.727 0.922 1.000 0.833 CB 1.582 24 residues pruned to eliminate duplicates Z: 22 33.258 2.451 0.699 0.434 1.000 0.571 CB 1.865 22 residues pruned to eliminate duplicates Z: 24 36.600 2.204 0.627 0.914 0.957 0.609 CB 1.574 25 residues pruned to eliminate duplicates Z: 25 39.255 2.358 1.054 0.530 1.000 0.750 CB 1.605 25 residues pruned to eliminate duplicates Z: 18 48.164 2.434 1.262 0.954 0.941 0.294 CB 1.550 18 residues pruned to eliminate duplicates Z: 19 31.384 2.459 0.755 0.436 1.000 0.556 CB 1.832 19 residues pruned to eliminate duplicates Z: 110 68.338 2.300 0.809 0.584 0.927 0.578 CB 1.566 113 residues pruned to eliminate duplicates Z: 19 41.192 2.390 0.939 0.957 0.944 0.833 CB 1.524 19 residues pruned to eliminate duplicates Z: 21 41.068 2.348 0.730 0.938 1.000 0.950 CA 1.572 21 residues pruned to eliminate duplicates Z: 22 42.159 2.424 0.750 0.939 0.952 0.810 CB 1.583 22 residues pruned to eliminate duplicates Z: 20 31.887 2.327 0.484 0.863 0.947 0.789 CB 1.642 20 residues pruned to eliminate duplicates Z: 18 33.527 2.324 0.718 0.880 0.941 0.647 CB 1.568 18 residues pruned to eliminate duplicates Z: 50 31.472 2.131 0.644 0.506 0.918 0.531 CB 1.390 50 residues pruned to eliminate duplicates Z: 15 18.169 2.158 0.170 0.848 0.929 0.714 CA 1.536 Z: 10 16.693 2.204 0.500 0.801 0.778 0.556 CA 1.663 10 residues pruned to eliminate duplicates Z: 24 38.850 2.189 0.664 0.924 1.000 0.783 CB 1.562 24 residues pruned to eliminate duplicates Z: 62 44.617 2.249 0.581 0.557 0.984 0.607 CB 1.546 64 residues pruned to eliminate duplicates Z: 64 41.652 2.211 0.610 0.535 0.952 0.635 CB 1.495 63 residues pruned to eliminate duplicates Z: 25 51.556 2.350 1.015 0.933 1.000 0.542 CB 1.551 25 residues pruned to eliminate duplicates Z: 30 19.258 2.013 0.502 0.438 0.897 0.586 CB 1.406 10 residues pruned to eliminate duplicates Z: 24 39.110 2.220 0.613 0.946 1.000 0.826 CB 1.575 24 residues pruned to eliminate duplicates Z: 15 27.235 2.448 0.814 0.496 0.929 0.786 CB 1.772 15 residues pruned to eliminate duplicates Z: 24 33.874 2.294 0.463 0.953 1.000 1.000 CB 1.448 24 residues pruned to eliminate duplicates Z: 21 33.656 2.310 0.625 0.940 1.000 0.900 CB 1.392 21 residues pruned to eliminate duplicates Z: 21 24.876 2.432 0.695 0.442 0.900 0.600 CB 1.592 21 residues pruned to eliminate duplicates Z: 25 56.184 2.338 1.058 0.931 1.000 0.708 CB 1.665 25 residues pruned to eliminate duplicates Z: 18 41.380 2.440 0.943 0.945 0.941 0.824 CB 1.556 18 residues pruned to eliminate duplicates Z: 20 27.850 2.108 0.891 0.863 0.842 0.579 CB 1.396 20 residues pruned to eliminate duplicates Z: 9 19.530 2.106 0.571 0.908 1.000 0.750 CB 1.482 Z: 18 28.152 2.325 0.496 0.854 0.882 0.647 CB 1.643 18 residues pruned to eliminate duplicates Z: 8 18.202 2.128 0.743 0.895 1.000 0.857 CB 1.329 8 residues pruned to eliminate duplicates Z: 35 31.080 2.238 0.608 0.634 0.912 0.588 CB 1.432 35 residues pruned to eliminate duplicates Z: 20 31.650 2.261 0.464 0.873 1.000 0.789 CB 1.597 20 residues pruned to eliminate duplicates Z: 62 50.025 2.254 0.946 0.577 0.885 0.492 CB 1.532 62 residues pruned to eliminate duplicates Z: 24 43.879 2.373 0.864 0.941 0.913 0.652 CB 1.572 24 residues pruned to eliminate duplicates Z: 19 29.218 2.189 0.462 0.883 1.000 0.722 CB 1.555 19 residues pruned to eliminate duplicates Z: 52 39.239 2.135 0.777 0.529 0.980 0.510 CB 1.435 52 residues pruned to eliminate duplicates Z: 24 34.396 2.369 0.794 0.523 0.957 0.696 CB 1.723 24 residues pruned to eliminate duplicates Z: 24 37.369 2.209 0.539 0.946 1.000 0.870 CB 1.586 24 residues pruned to eliminate duplicates Z: 9 21.696 2.095 0.937 0.909 1.000 0.750 CB 1.343 9 residues pruned to eliminate duplicates Z: 24 49.321 2.244 1.082 0.945 0.957 0.391 CB 1.592 24 residues pruned to eliminate duplicates Z: 24 53.850 2.388 1.201 0.946 0.957 0.609 CB 1.545 24 residues pruned to eliminate duplicates Z: 23 36.162 2.308 0.549 0.956 1.000 0.864 CB 1.481 23 residues pruned to eliminate duplicates Z: 24 42.097 2.288 0.829 0.938 0.957 0.826 CB 1.524 24 residues pruned to eliminate duplicates Z: 98 54.498 2.216 0.757 0.574 0.897 0.588 CB 1.475 47 residues pruned to eliminate duplicates Z: 19 29.069 2.223 0.474 0.893 0.944 0.722 CB 1.589 19 residues pruned to eliminate duplicates Z: 24 42.944 2.201 0.794 0.930 1.000 0.870 CB 1.585 24 residues pruned to eliminate duplicates Z: 9 15.735 2.220 0.740 0.714 0.750 0.750 CA 1.581 9 residues pruned to eliminate duplicates Z: 47 40.006 2.324 0.732 0.591 0.870 0.609 CB 1.544 47 residues pruned to eliminate duplicates Z: 66 49.112 2.270 0.686 0.587 0.938 0.662 CB 1.561 66 residues pruned to eliminate duplicates Z: 39 33.746 2.174 0.670 0.522 0.974 0.711 CB 1.515 39 residues pruned to eliminate duplicates Z: 54 46.037 2.365 0.733 0.555 0.906 0.623 CB 1.615 54 residues pruned to eliminate duplicates Z: 15 29.248 2.208 0.766 0.893 0.929 0.857 CB 1.550 15 residues pruned to eliminate duplicates Z: 8 15.310 2.034 0.624 0.872 0.857 0.714 CA 1.490 8 residues pruned to eliminate duplicates Z: 20 24.337 2.144 0.530 0.820 0.895 0.789 CB 1.441 20 residues pruned to eliminate duplicates Z: 25 52.764 2.318 0.972 0.929 1.000 0.750 CB 1.649 25 residues pruned to eliminate duplicates Z: 26 28.660 2.152 0.442 0.941 1.000 0.880 CB 1.282 26 residues pruned to eliminate duplicates Z: 23 36.445 2.425 0.821 0.487 1.000 0.636 CB 1.783 23 residues pruned to eliminate duplicates Z: 51 31.310 2.147 0.627 0.469 0.920 0.480 CB 1.422 49 residues pruned to eliminate duplicates Z: 10 17.964 1.899 0.746 0.879 1.000 0.778 CB 1.310 10 residues pruned to eliminate duplicates Z: 20 29.213 2.326 0.360 0.838 0.947 0.895 CA 1.672 20 residues pruned to eliminate duplicates Z: 43 23.738 1.912 0.605 0.433 0.952 0.429 CB 1.343 43 residues pruned to eliminate duplicates Z: 15 37.858 2.357 1.145 0.948 1.000 0.429 CB 1.382 15 residues pruned to eliminate duplicates Z: 19 35.633 2.336 0.749 0.894 0.944 0.611 CB 1.561 19 residues pruned to eliminate duplicates Z: 16 32.993 2.233 0.669 0.907 1.000 0.867 CB 1.624 16 residues pruned to eliminate duplicates Z: 36 41.890 2.303 0.792 0.720 0.943 0.829 CB 1.491 36 residues pruned to eliminate duplicates Z: 43 34.307 2.137 0.661 0.642 0.952 0.690 CB 1.371 43 residues pruned to eliminate duplicates Z: 39 20.257 1.978 0.481 0.438 0.895 0.500 CB 1.336 39 residues pruned to eliminate duplicates Z: 19 27.084 2.161 0.468 0.855 0.944 0.667 CB 1.573 19 residues pruned to eliminate duplicates Z: 20 32.476 2.344 0.365 0.886 1.000 0.895 CB 1.680 20 residues pruned to eliminate duplicates Z: 7 11.499 2.026 0.607 0.561 0.833 0.333 N 1.631 Z: 24 43.833 2.321 0.959 0.948 0.957 0.652 CB 1.451 24 residues pruned to eliminate duplicates Z: 63 49.338 2.229 0.704 0.604 0.968 0.710 CB 1.545 63 residues pruned to eliminate duplicates Z: 9 18.199 1.974 0.620 0.877 1.000 0.625 CB 1.461 9 residues pruned to eliminate duplicates Z: 24 48.439 2.257 1.047 0.933 1.000 0.609 CB 1.525 24 residues pruned to eliminate duplicates Z: 35 31.356 2.286 0.734 0.461 0.882 0.559 CB 1.599 35 residues pruned to eliminate duplicates Z: 19 32.900 2.355 0.447 0.878 0.944 0.667 CB 1.748 19 residues pruned to eliminate duplicates Z: 37 32.123 2.116 0.599 0.642 0.889 0.667 CB 1.559 37 residues pruned to eliminate duplicates Z: 7 5.103 1.645 0.405 0.464 0.833 0.667 CB 1.122 7 residues pruned to eliminate duplicates Z: 18 33.279 2.309 0.501 0.903 1.000 0.706 CB 1.660 18 residues pruned to eliminate duplicates Z: 28 18.026 1.963 0.557 0.455 0.926 0.407 CB 1.283 28 residues pruned to eliminate duplicates Z: 16 38.491 2.456 0.626 0.939 1.000 0.933 CB 1.729 16 residues pruned to eliminate duplicates Z: 24 32.695 2.275 0.470 0.945 1.000 0.870 CB 1.411 24 residues pruned to eliminate duplicates Z: 26 37.060 2.410 0.869 0.478 0.960 0.600 CB 1.753 26 residues pruned to eliminate duplicates Z: 24 35.811 2.215 0.569 0.953 0.957 0.783 CB 1.545 24 residues pruned to eliminate duplicates Z: 43 21.037 1.945 0.546 0.421 0.905 0.429 CB 1.296 43 residues pruned to eliminate duplicates Z: 24 58.761 2.390 1.477 0.950 0.957 0.348 CB 1.493 24 residues pruned to eliminate duplicates Z: 21 34.506 2.128 0.804 0.916 0.900 0.500 CB 1.577 21 residues pruned to eliminate duplicates Z: 23 29.827 2.234 0.291 0.947 1.000 0.955 CB 1.524 23 residues pruned to eliminate duplicates Z: 34 17.000 1.944 0.532 0.453 0.848 0.545 CB 1.229 34 residues pruned to eliminate duplicates Z: 62 42.910 2.234 0.592 0.566 0.934 0.623 CB 1.550 62 residues pruned to eliminate duplicates Z: 20 22.313 2.154 0.986 0.378 0.947 0.526 CB 1.439 20 residues pruned to eliminate duplicates Z: 9 21.846 2.103 0.810 0.913 1.000 0.875 CB 1.436 9 residues pruned to eliminate duplicates Z: 43 40.217 2.241 0.692 0.576 0.952 0.619 CB 1.597 43 residues pruned to eliminate duplicates Z: 11 12.900 2.126 0.424 0.576 1.000 0.700 CB 1.252 11 residues pruned to eliminate duplicates Z: 28 19.366 2.111 0.722 0.384 0.815 0.556 CB 1.423 28 residues pruned to eliminate duplicates Z: 60 49.542 2.243 0.657 0.596 0.983 0.661 CB 1.610 61 residues pruned to eliminate duplicates Z: 15 24.565 2.375 0.595 0.502 0.929 0.714 CB 1.863 15 residues pruned to eliminate duplicates Z: 19 34.583 2.361 0.515 0.902 1.000 0.667 CB 1.625 19 residues pruned to eliminate duplicates Z: 17 39.317 2.407 0.659 0.916 1.000 0.812 CB 1.739 17 residues pruned to eliminate duplicates Z: 36 27.548 2.131 0.579 0.490 0.971 0.571 CB 1.440 36 residues pruned to eliminate duplicates Z: 40 27.302 2.132 0.643 0.539 0.872 0.513 CB 1.378 40 residues pruned to eliminate duplicates Z: 19 36.237 2.302 0.614 0.875 1.000 0.667 CB 1.672 19 residues pruned to eliminate duplicates Z: 41 36.588 2.273 0.613 0.618 0.925 0.675 CB 1.527 41 residues pruned to eliminate duplicates Z: 24 53.602 2.323 1.151 0.925 1.000 0.609 CB 1.570 24 residues pruned to eliminate duplicates Z: 19 28.246 2.270 0.618 0.899 0.889 0.667 CB 1.458 19 residues pruned to eliminate duplicates Z: 101 50.462 2.130 0.716 0.564 0.920 0.570 CB 1.410 101 residues pruned to eliminate duplicates Z: 26 26.294 2.227 0.408 0.740 0.880 0.600 CB 1.537 26 residues pruned to eliminate duplicates Z: 23 29.854 2.273 0.436 0.855 0.955 0.909 CB 1.507 23 residues pruned to eliminate duplicates Z: 25 49.414 2.311 0.934 0.936 1.000 0.708 CB 1.572 25 residues pruned to eliminate duplicates Z: 10 14.871 1.931 0.589 0.892 1.000 0.778 CB 1.160 10 residues pruned to eliminate duplicates Z: 25 18.518 1.987 0.493 0.513 0.917 0.542 CB 1.373 25 residues pruned to eliminate duplicates Z: 19 37.943 2.305 0.766 0.890 1.000 0.722 CB 1.581 19 residues pruned to eliminate duplicates Z: 23 26.819 2.133 0.631 0.804 0.955 0.682 CB 1.320 23 residues pruned to eliminate duplicates Z: 23 62.104 2.417 1.368 0.953 1.000 0.500 CB 1.592 23 residues pruned to eliminate duplicates Z: 26 17.766 1.871 0.580 0.522 0.880 0.680 CB 1.336 26 residues pruned to eliminate duplicates Z: 70 43.960 2.249 0.775 0.560 0.870 0.652 CB 1.439 70 residues pruned to eliminate duplicates Z: 50 27.482 2.074 0.657 0.497 0.898 0.490 CB 1.277 50 residues pruned to eliminate duplicates Z: 25 50.957 2.354 1.155 0.946 0.917 0.500 CB 1.547 25 residues pruned to eliminate duplicates Z: 39 25.241 2.024 0.629 0.438 0.947 0.474 CB 1.397 39 residues pruned to eliminate duplicates Z: 6 14.957 1.969 0.933 0.807 1.000 0.600 CB 1.345 6 residues pruned to eliminate duplicates Z: 25 31.478 2.358 0.709 0.490 0.917 0.625 CB 1.757 25 residues pruned to eliminate duplicates Z: 25 56.097 2.329 1.271 0.953 1.000 0.333 CB 1.490 25 residues pruned to eliminate duplicates Z: 41 20.420 1.961 0.480 0.425 0.925 0.525 CB 1.301 41 residues pruned to eliminate duplicates Z: 20 33.663 2.334 0.484 0.853 1.000 0.737 CB 1.649 20 residues pruned to eliminate duplicates Z: 9 19.960 1.979 0.836 0.913 1.000 0.625 CB 1.374 9 residues pruned to eliminate duplicates Z: 28 18.304 1.944 0.569 0.501 0.889 0.593 CB 1.297 28 residues pruned to eliminate duplicates Z: 9 5.839 1.856 0.541 0.389 1.000 0.750 CB 0.812 6 residues pruned to eliminate duplicates Z: 10 15.008 1.875 0.429 0.909 1.000 0.556 CB 1.325 10 residues pruned to eliminate duplicates Z: 23 12.517 1.765 0.528 0.443 0.864 0.500 CB 1.214 Z: 27 32.305 2.239 0.762 0.506 0.962 0.692 CB 1.659 27 residues pruned to eliminate duplicates Z: 41 34.234 2.172 0.668 0.546 0.950 0.550 CB 1.504 42 residues pruned to eliminate duplicates Z: 26 34.114 2.437 0.752 0.482 0.880 0.560 CA 1.849 26 residues pruned to eliminate duplicates Z: 24 41.096 2.215 0.794 0.951 0.957 0.522 CB 1.554 24 residues pruned to eliminate duplicates Z: 17 32.432 2.277 0.678 0.939 1.000 0.625 CB 1.474 17 residues pruned to eliminate duplicates Z: 25 54.673 2.279 1.339 0.947 0.958 0.542 CB 1.509 25 residues pruned to eliminate duplicates Z: 26 50.594 2.229 1.174 0.946 0.960 0.600 CB 1.503 26 residues pruned to eliminate duplicates Z: 10 16.879 1.962 0.584 0.888 0.889 0.778 CB 1.467 10 residues pruned to eliminate duplicates Z: 24 39.065 2.204 0.834 0.962 1.000 0.522 CB 1.378 24 residues pruned to eliminate duplicates Z: 6 12.560 2.253 0.631 0.825 0.800 0.600 CB 1.442 6 residues pruned to eliminate duplicates Z: 87 56.202 2.291 0.663 0.583 0.907 0.593 CB 1.620 87 residues pruned to eliminate duplicates Z: 23 43.576 2.326 0.950 0.953 0.955 0.409 CB 1.476 23 residues pruned to eliminate duplicates Z: 22 43.250 2.297 0.780 0.961 1.000 0.762 CB 1.580 22 residues pruned to eliminate duplicates Z: 21 21.990 2.088 0.376 0.817 0.900 0.700 CB 1.444 21 residues pruned to eliminate duplicates Z: 18 23.012 2.057 0.327 0.910 0.941 0.706 CA 1.539 18 residues pruned to eliminate duplicates Z: 22 31.519 2.364 0.927 0.482 0.905 0.762 CA 1.699 22 residues pruned to eliminate duplicates Z: 51 32.579 2.114 0.626 0.500 0.960 0.480 CB 1.396 51 residues pruned to eliminate duplicates Z: 39 19.038 1.888 0.693 0.480 0.816 0.526 CB 1.209 39 residues pruned to eliminate duplicates Z: 35 27.236 2.042 0.808 0.557 0.941 0.559 CB 1.272 35 residues pruned to eliminate duplicates Z: 26 30.445 2.272 0.704 0.535 0.920 0.720 CB 1.651 26 residues pruned to eliminate duplicates Z: 30 24.075 2.011 0.691 0.462 0.966 0.552 CB 1.416 30 residues pruned to eliminate duplicates Z: 25 27.365 2.256 0.840 0.452 0.833 0.625 CB 1.696 25 residues pruned to eliminate duplicates Z: 23 18.799 1.999 0.579 0.645 0.909 0.636 CB 1.219 23 residues pruned to eliminate duplicates Z: 8 14.368 2.000 0.855 0.683 1.000 0.714 CB 1.238 8 residues pruned to eliminate duplicates Z: 18 16.823 2.002 0.731 0.508 0.882 0.588 CB 1.324 18 residues pruned to eliminate duplicates Z: 25 39.557 2.331 0.489 0.931 1.000 0.917 CB 1.626 25 residues pruned to eliminate duplicates Z: 10 20.851 1.915 0.765 0.890 1.000 0.889 CA 1.480 10 residues pruned to eliminate duplicates Z: 8 15.624 2.105 0.549 0.877 1.000 0.714 CB 1.315 8 residues pruned to eliminate duplicates Z: 43 27.333 2.082 0.613 0.427 0.929 0.476 CB 1.459 43 residues pruned to eliminate duplicates Z: 10 10.575 1.824 0.631 0.607 1.000 1.000 CB 1.070 10 residues pruned to eliminate duplicates Z: 12 19.100 2.265 0.888 0.582 0.909 0.909 CB 1.370 12 residues pruned to eliminate duplicates Z: 10 16.688 2.212 0.338 0.850 0.778 0.778 CB 1.791 10 residues pruned to eliminate duplicates Z: 24 43.619 2.254 0.854 0.929 0.957 0.783 CB 1.592 24 residues pruned to eliminate duplicates Z: 41 19.763 1.973 0.373 0.451 0.900 0.450 CB 1.347 64 residues pruned to eliminate duplicates Z: 24 35.577 2.224 0.502 0.945 0.957 0.826 CB 1.607 24 residues pruned to eliminate duplicates Z: 9 19.092 2.176 0.923 0.620 1.000 0.625 CA 1.440 9 residues pruned to eliminate duplicates Z: 25 37.743 2.199 0.485 0.928 1.000 0.917 CB 1.652 24 residues pruned to eliminate duplicates Z: 41 34.250 2.160 0.576 0.653 0.925 0.675 CB 1.493 41 residues pruned to eliminate duplicates Z: 21 28.784 2.281 0.528 0.941 0.950 0.900 CB 1.349 21 residues pruned to eliminate duplicates Z: 20 30.005 2.085 0.606 0.872 1.000 0.737 CB 1.499 20 residues pruned to eliminate duplicates Z: 19 35.751 2.342 0.667 0.899 1.000 0.556 CB 1.543 19 residues pruned to eliminate duplicates Z: 19 19.628 2.015 0.290 0.856 0.889 0.833 CB 1.476 19 residues pruned to eliminate duplicates Z: 52 37.248 2.234 0.586 0.607 0.922 0.686 CB 1.443 52 residues pruned to eliminate duplicates Z: 8 15.298 2.300 0.147 0.825 1.000 0.571 CB 1.654 8 residues pruned to eliminate duplicates Z: 43 31.673 2.152 0.553 0.530 0.952 0.619 CB 1.490 43 residues pruned to eliminate duplicates Z: 20 23.358 2.288 0.733 0.471 0.895 0.474 CB 1.557 20 residues pruned to eliminate duplicates Z: 9 15.267 1.911 0.398 0.889 1.000 0.875 CB 1.454 9 residues pruned to eliminate duplicates Z: 18 34.410 2.228 0.628 0.951 0.941 0.588 CB 1.684 18 residues pruned to eliminate duplicates Z: 41 28.735 2.071 0.432 0.666 0.900 0.775 CB 1.460 36 residues pruned to eliminate duplicates Z: 23 55.446 2.418 1.270 0.948 0.955 0.591 CB 1.558 23 residues pruned to eliminate duplicates Z: 36 23.053 2.041 0.492 0.487 0.914 0.600 CB 1.418 36 residues pruned to eliminate duplicates Z: 46 30.374 2.086 0.604 0.522 0.933 0.467 CB 1.418 46 residues pruned to eliminate duplicates Z: 8 7.081 1.968 -0.326 0.784 1.000 1.000 CB 1.573 Z: 15 31.345 2.415 0.576 0.931 1.000 0.857 CB 1.538 15 residues pruned to eliminate duplicates Z: 26 24.982 2.117 0.225 0.915 0.960 0.960 CB 1.419 26 residues pruned to eliminate duplicates Z: 20 25.571 2.160 0.363 0.813 1.000 0.632 CB 1.517 20 residues pruned to eliminate duplicates Z: 6 2.590 1.810 -0.504 0.548 0.800 0.400 N 1.537 Z: 39 27.685 2.080 0.687 0.511 0.921 0.526 CB 1.374 39 residues pruned to eliminate duplicates Z: 33 41.853 2.214 0.905 0.688 0.938 0.656 CB 1.575 33 residues pruned to eliminate duplicates Z: 24 23.325 2.095 0.432 0.781 0.957 0.435 CB 1.323 24 residues pruned to eliminate duplicates Z: 24 32.755 2.179 0.386 0.914 1.000 0.783 CB 1.600 24 residues pruned to eliminate duplicates Z: 50 29.561 2.104 0.581 0.485 0.898 0.592 CB 1.435 50 residues pruned to eliminate duplicates Z: 14 9.923 2.063 0.447 0.400 0.769 0.462 CB 1.331 14 residues pruned to eliminate duplicates Z: 45 40.638 2.329 0.714 0.572 0.864 0.659 CB 1.658 45 residues pruned to eliminate duplicates Z: 26 59.830 2.251 1.449 0.937 1.000 0.800 CB 1.510 26 residues pruned to eliminate duplicates Z: 24 26.843 2.135 0.165 0.944 1.000 1.000 CB 1.559 24 residues pruned to eliminate duplicates Z: 36 33.759 2.183 0.626 0.637 0.971 0.600 CB 1.456 36 residues pruned to eliminate duplicates Z: 25 60.586 2.338 1.315 0.951 1.000 0.417 CB 1.574 25 residues pruned to eliminate duplicates Z: 24 52.665 2.233 1.181 0.960 1.000 0.478 CB 1.544 24 residues pruned to eliminate duplicates Z: 15 31.643 2.292 0.937 0.939 0.857 0.714 CB 1.545 15 residues pruned to eliminate duplicates Z: 9 13.991 2.009 0.575 0.811 0.875 0.500 CB 1.363 9 residues pruned to eliminate duplicates Z: 59 41.392 2.190 0.610 0.561 0.983 0.569 CB 1.479 59 residues pruned to eliminate duplicates Z: 44 34.999 2.139 0.502 0.657 0.977 0.791 CB 1.471 44 residues pruned to eliminate duplicates Z: 50 27.710 2.090 0.557 0.460 0.898 0.531 CB 1.412 50 residues pruned to eliminate duplicates Z: 9 13.709 2.079 0.171 0.886 1.000 1.000 CB 1.436 9 residues pruned to eliminate duplicates Z: 36 42.900 2.289 1.167 0.688 0.829 0.429 CB 1.486 36 residues pruned to eliminate duplicates Z: 26 18.769 2.014 0.295 0.463 0.960 0.520 CB 1.558 26 residues pruned to eliminate duplicates Z: 18 16.658 2.083 0.598 0.505 0.882 0.529 CB 1.369 18 residues pruned to eliminate duplicates Z: 39 29.384 2.117 0.728 0.510 0.947 0.526 CB 1.362 39 residues pruned to eliminate duplicates Z: 19 32.311 2.252 0.717 0.910 1.000 0.722 CB 1.397 19 residues pruned to eliminate duplicates Z: 24 46.355 2.241 1.054 0.946 0.957 0.522 CB 1.518 24 residues pruned to eliminate duplicates Z: 24 58.280 2.374 1.436 0.964 0.957 0.609 CB 1.501 24 residues pruned to eliminate duplicates Z: 60 48.331 2.250 0.771 0.553 0.966 0.712 CB 1.552 60 residues pruned to eliminate duplicates Z: 23 28.722 2.191 0.308 0.921 0.955 0.773 CB 1.575 23 residues pruned to eliminate duplicates Z: 24 40.482 2.224 0.742 0.946 0.957 0.826 CB 1.575 24 residues pruned to eliminate duplicates Z: 35 29.962 2.216 0.547 0.609 0.853 0.529 CB 1.583 35 residues pruned to eliminate duplicates Z: 44 30.018 2.112 0.592 0.502 0.953 0.558 CB 1.425 44 residues pruned to eliminate duplicates Z: 50 30.028 2.134 0.626 0.491 0.898 0.531 CB 1.390 50 residues pruned to eliminate duplicates Z: 22 24.865 2.068 0.719 0.661 1.000 0.476 CB 1.315 22 residues pruned to eliminate duplicates Z: 83 52.053 2.194 0.891 0.553 0.890 0.427 CB 1.478 83 residues pruned to eliminate duplicates Z: 28 18.665 1.956 0.656 0.459 0.889 0.593 CB 1.301 28 residues pruned to eliminate duplicates Z: 29 38.886 2.359 0.753 0.709 0.929 0.679 CB 1.583 29 residues pruned to eliminate duplicates Z: 7 6.835 1.998 0.295 0.369 0.833 0.667 CA 1.489 7 residues pruned to eliminate duplicates Z: 25 52.573 2.299 1.255 0.965 1.000 0.458 CB 1.413 25 residues pruned to eliminate duplicates Z: 63 43.922 2.209 0.574 0.580 0.952 0.694 CB 1.562 63 residues pruned to eliminate duplicates Z: 8 8.465 1.851 0.412 0.429 1.000 0.286 CB 1.318 Z: 52 30.100 2.132 0.516 0.497 0.902 0.569 CB 1.450 52 residues pruned to eliminate duplicates Z: 25 30.505 2.235 0.289 0.926 1.000 0.958 CB 1.516 25 residues pruned to eliminate duplicates Z: 25 14.161 1.812 0.500 0.454 0.875 0.542 CB 1.274 33 residues pruned to eliminate duplicates Z: 24 47.540 2.224 1.114 0.924 0.957 0.261 CB 1.548 24 residues pruned to eliminate duplicates Z: 21 25.725 2.246 0.817 0.429 1.000 0.600 CB 1.517 21 residues pruned to eliminate duplicates Z: 24 34.737 2.199 0.647 0.931 0.913 0.565 CB 1.530 24 residues pruned to eliminate duplicates Z: 16 36.523 2.426 0.740 0.925 0.933 0.733 CB 1.680 16 residues pruned to eliminate duplicates Z: 15 30.130 2.311 0.543 0.928 0.929 0.929 CB 1.704 15 residues pruned to eliminate duplicates Z: 6 3.800 1.874 -0.326 0.600 0.800 0.600 O 1.527 3 residues pruned to eliminate duplicates Z: 25 42.821 2.155 1.029 0.937 0.958 0.583 CB 1.452 25 residues pruned to eliminate duplicates Z: 21 24.746 2.308 0.745 0.492 0.900 0.650 CB 1.540 21 residues pruned to eliminate duplicates Z: 58 40.736 2.180 0.633 0.540 0.930 0.614 CB 1.568 58 residues pruned to eliminate duplicates Z: 18 25.639 2.372 0.656 0.491 0.882 0.471 CB 1.810 19 residues pruned to eliminate duplicates Z: 6 5.809 1.671 0.642 0.705 1.000 0.400 CB 0.786 6 residues pruned to eliminate duplicates Z: 19 27.848 2.298 0.469 0.867 0.944 0.611 CB 1.506 19 residues pruned to eliminate duplicates Z: 26 33.832 2.354 0.890 0.491 0.920 0.680 CB 1.668 26 residues pruned to eliminate duplicates Z: 38 36.094 2.203 0.638 0.657 0.973 0.649 CB 1.461 38 residues pruned to eliminate duplicates Z: 23 17.997 2.079 0.658 0.374 0.864 0.455 CB 1.475 23 residues pruned to eliminate duplicates Z: 66 44.310 2.237 0.728 0.575 0.908 0.631 CB 1.458 66 residues pruned to eliminate duplicates Z: 42 18.239 1.965 0.410 0.395 0.902 0.512 CB 1.273 42 residues pruned to eliminate duplicates Z: 15 41.719 2.418 0.839 0.925 1.000 0.857 CB 1.760 15 residues pruned to eliminate duplicates Z: 8 4.954 1.804 -0.273 0.587 1.000 0.571 CB 1.313 10 residues pruned to eliminate duplicates Z: 21 26.329 2.104 0.578 0.796 0.950 0.750 CB 1.439 21 residues pruned to eliminate duplicates Z: 18 28.366 2.154 0.659 0.864 0.941 0.765 CB 1.500 18 residues pruned to eliminate duplicates Z: 8 3.266 1.665 -0.144 0.514 0.857 0.429 CB 0.997 8 1.470 1.363 0.095 0.232 0.571 0.429 CB 0.891 ? Z: 23 39.974 2.411 0.960 0.555 0.955 0.682 CB 1.792 23 residues pruned to eliminate duplicates Z: 6 2.322 1.739 -0.084 0.316 0.600 0.600 CB 1.333 Z: 19 26.854 2.204 0.517 0.872 0.889 0.611 CB 1.552 19 residues pruned to eliminate duplicates Z: 16 4.328 1.657 0.029 0.405 0.867 0.533 CB 0.836 Z: 95 46.461 2.151 0.724 0.545 0.894 0.628 CB 1.383 95 residues pruned to eliminate duplicates Z: 35 18.981 1.960 0.447 0.470 0.912 0.471 CB 1.298 35 residues pruned to eliminate duplicates Z: 48 39.734 2.261 0.770 0.596 0.894 0.702 CB 1.479 48 residues pruned to eliminate duplicates Z: 47 34.483 2.029 0.782 0.518 0.957 0.652 CB 1.444 47 residues pruned to eliminate duplicates Z: 9 6.836 1.886 0.631 0.351 0.750 0.375 CA 1.231 9 residues pruned to eliminate duplicates Z: 33 26.278 2.079 0.805 0.538 0.938 0.406 CB 1.272 33 residues pruned to eliminate duplicates Z: 10 2.359 1.619 0.624 0.441 0.889 0.556 CB 0.358 Z: 8 6.708 1.790 0.680 0.523 0.571 0.571 N 1.443 8 residues pruned to eliminate duplicates Z: 32 38.325 2.298 0.812 0.635 0.903 0.613 CB 1.612 32 residues pruned to eliminate duplicates Z: 6 12.884 2.028 0.495 0.780 1.000 1.000 CA 1.485 6 residues pruned to eliminate duplicates Z: 8 4.944 2.121 0.386 0.411 0.571 0.429 CB 1.221 8 residues pruned to eliminate duplicates Z: 11 21.475 2.374 0.572 0.622 1.000 0.800 CB 1.622 11 residues pruned to eliminate duplicates Z: 19 34.081 2.314 0.626 0.866 0.944 0.611 CB 1.655 19 residues pruned to eliminate duplicates Z: 12 8.153 1.522 0.304 0.730 1.000 0.727 CB 1.007 12 residues pruned to eliminate duplicates Z: 46 46.357 2.229 1.162 0.628 0.867 0.356 CB 1.467 46 residues pruned to eliminate duplicates Z: 40 28.567 2.006 0.580 0.522 1.000 0.538 CB 1.412 40 residues pruned to eliminate duplicates Z: 58 46.896 2.278 0.573 0.597 0.965 0.632 CB 1.638 58 residues pruned to eliminate duplicates Z: 39 31.318 2.114 0.568 0.594 0.921 0.579 CB 1.521 39 residues pruned to eliminate duplicates Z: 6 14.241 2.061 0.884 0.808 1.000 1.000 CB 1.254 Z: 16 5.457 1.866 0.369 0.265 0.733 0.400 CB 0.984 16 residues pruned to eliminate duplicates Z: 39 25.704 1.881 0.752 0.534 0.947 0.421 CB 1.292 39 residues pruned to eliminate duplicates Z: 9 10.133 1.952 0.711 0.714 1.000 0.875 CB 0.883 9 residues pruned to eliminate duplicates Z: 35 51.822 2.290 1.157 0.752 0.912 0.471 CB 1.576 35 residues pruned to eliminate duplicates Z: 11 7.945 1.893 0.333 0.437 0.900 0.600 N 1.181 11 residues pruned to eliminate duplicates Z: 18 34.663 2.310 0.437 0.923 1.000 0.941 CB 1.779 18 residues pruned to eliminate duplicates Z: 9 13.666 1.954 0.305 0.886 1.000 0.875 CA 1.367 9 residues pruned to eliminate duplicates Z: 9 11.689 2.153 0.431 0.658 0.875 0.750 CB 1.324 9 residues pruned to eliminate duplicates Z: 10 7.637 1.949 0.675 0.498 0.667 0.556 CB 1.172 10 residues pruned to eliminate duplicates Z: 25 12.594 1.674 0.504 0.479 0.875 0.417 CB 1.192 25 residues pruned to eliminate duplicates Z: 9 17.697 1.955 0.788 0.909 0.875 0.625 CB 1.452 9 residues pruned to eliminate duplicates Z: 7 6.336 1.778 -0.199 0.702 1.000 0.833 CB 1.511 9 1.950 1.548 0.120 0.357 0.500 0.500 CB 0.929 ? Z: 44 32.052 2.141 0.639 0.502 0.953 0.558 CB 1.458 44 residues pruned to eliminate duplicates Z: 43 42.477 2.202 0.951 0.677 0.905 0.476 CB 1.433 43 residues pruned to eliminate duplicates Z: 6 8.080 2.077 -0.165 0.646 1.000 0.400 CB 1.817 7 residues pruned to eliminate duplicates Z: 12 8.344 1.929 0.326 0.410 0.818 0.545 CA 1.321 12 residues pruned to eliminate duplicates Z: 9 4.900 1.976 0.209 0.327 0.875 0.625 CB 1.003 9 residues pruned to eliminate duplicates Z: 8 3.602 1.781 0.464 0.445 0.571 0.429 CB 0.967 Z: 38 26.502 2.073 0.604 0.524 0.946 0.568 CB 1.354 38 residues pruned to eliminate duplicates Z: 32 23.295 2.093 0.566 0.439 0.968 0.613 CB 1.405 32 residues pruned to eliminate duplicates Z: 105 55.912 2.181 0.591 0.580 0.933 0.702 CB 1.569 105 residues pruned to eliminate duplicates Z: 18 31.026 2.295 0.288 0.906 1.000 0.941 CB 1.810 18 residues pruned to eliminate duplicates Z: 16 6.066 1.460 0.295 0.546 0.933 0.600 CB 0.848 16 residues pruned to eliminate duplicates Z: 43 34.627 2.203 0.607 0.615 0.905 0.690 CB 1.496 43 residues pruned to eliminate duplicates Z: 58 39.884 2.225 0.673 0.591 0.877 0.614 CB 1.483 58 residues pruned to eliminate duplicates Z: 71 37.578 2.105 0.636 0.499 0.929 0.543 CB 1.407 71 residues pruned to eliminate duplicates Z: 10 24.013 1.881 1.132 0.912 1.000 0.556 CB 1.414 10 residues pruned to eliminate duplicates Z: 25 33.139 2.143 0.437 0.939 1.000 0.917 CB 1.526 25 residues pruned to eliminate duplicates Z: 8 7.634 1.798 0.135 0.511 1.000 0.571 CA 1.399 8 residues pruned to eliminate duplicates Z: 11 12.319 2.059 0.494 0.800 0.900 0.600 CB 1.082 11 residues pruned to eliminate duplicates Z: 28 17.237 1.972 0.728 0.327 0.889 0.630 CB 1.324 28 residues pruned to eliminate duplicates Z: 57 51.265 2.336 0.786 0.574 0.911 0.625 CB 1.678 56 residues pruned to eliminate duplicates Z: 6 9.842 1.583 0.973 0.776 1.000 0.600 CA 1.104 6 residues pruned to eliminate duplicates 9 1.866 1.639 -0.278 0.241 0.750 0.250 CB 1.002 ? Z: 29 17.501 1.881 0.542 0.426 0.893 0.429 CB 1.378 29 residues pruned to eliminate duplicates Z: 8 3.916 1.645 0.571 0.341 0.714 0.429 CB 0.953 8 residues pruned to eliminate duplicates Z: 23 43.584 2.315 0.872 0.935 0.955 0.818 CB 1.565 23 residues pruned to eliminate duplicates Z: 21 27.688 2.127 0.637 0.755 0.950 0.700 CB 1.491 21 residues pruned to eliminate duplicates Z: 10 5.827 1.804 0.048 0.524 1.000 0.444 CB 1.004 10 residues pruned to eliminate duplicates Z: 7 6.103 1.861 -0.192 0.790 1.000 1.000 CB 1.285 6 residues pruned to eliminate duplicates Z: 42 37.392 2.101 0.923 0.630 0.902 0.390 CB 1.418 29 residues pruned to eliminate duplicates Z: 22 19.559 1.980 0.561 0.668 0.952 0.476 CB 1.243 22 residues pruned to eliminate duplicates Z: 7 7.073 2.076 0.323 0.392 0.833 0.333 CB 1.416 7 residues pruned to eliminate duplicates Z: 21 12.494 1.860 0.364 0.472 0.900 0.600 CB 1.260 Z: 44 15.229 1.893 0.325 0.394 0.860 0.419 CB 1.203 65 residues pruned to eliminate duplicates Z: 46 31.099 2.052 0.638 0.529 0.933 0.600 CB 1.436 46 residues pruned to eliminate duplicates Z: 26 26.495 2.225 0.835 0.474 0.880 0.440 CB 1.514 25 residues pruned to eliminate duplicates Z: 9 21.729 2.034 0.764 0.914 1.000 0.875 CB 1.514 9 residues pruned to eliminate duplicates Z: 13 21.604 2.252 0.808 0.625 0.917 0.667 CB 1.485 13 residues pruned to eliminate duplicates Z: 7 3.018 1.592 -0.330 0.593 1.000 0.667 CB 1.057 7 residues pruned to eliminate duplicates Z: 9 6.929 1.810 0.288 0.409 0.875 0.500 CB 1.321 9 residues pruned to eliminate duplicates Z: 7 2.592 1.176 0.308 0.680 0.667 0.333 CA 0.874 Z: 6 5.901 1.459 0.472 0.480 1.000 0.600 O 1.254 Z: 48 35.893 2.120 0.839 0.597 0.851 0.511 CB 1.439 48 residues pruned to eliminate duplicates Z: 12 7.452 1.605 0.276 0.676 1.000 0.545 CB 0.933 Z: 12 6.262 1.673 0.540 0.317 0.818 0.545 CB 1.096 12 residues pruned to eliminate duplicates Z: 10 5.279 1.829 0.001 0.523 0.889 0.444 CB 1.057 Z: 6 3.565 1.786 -0.337 0.784 1.000 0.400 CB 1.047 6 residues pruned to eliminate duplicates Z: 30 26.469 2.211 0.786 0.432 0.862 0.552 CB 1.548 30 residues pruned to eliminate duplicates Z: 10 17.797 1.838 0.700 0.866 1.000 0.556 CB 1.389 10 residues pruned to eliminate duplicates Z: 11 3.715 1.727 0.306 0.391 0.700 0.500 CB 0.836 11 residues pruned to eliminate duplicates Z: 95 52.381 2.193 0.610 0.596 0.904 0.734 CB 1.544 95 residues pruned to eliminate duplicates Z: 17 16.156 2.059 0.673 0.434 0.875 0.438 CB 1.435 17 residues pruned to eliminate duplicates Z: 6 7.470 1.881 -0.099 0.784 1.000 0.800 C 1.535 Z: 20 32.688 2.351 0.482 0.934 0.947 0.789 CB 1.585 20 residues pruned to eliminate duplicates Z: 22 10.815 1.665 0.403 0.451 0.905 0.476 CB 1.174 22 residues pruned to eliminate duplicates Z: 21 25.344 2.239 0.836 0.490 0.950 0.550 CB 1.466 21 residues pruned to eliminate duplicates Z: 36 26.732 2.131 0.703 0.596 0.800 0.543 CB 1.421 36 residues pruned to eliminate duplicates Z: 32 19.424 2.023 0.634 0.471 0.839 0.581 CB 1.296 32 residues pruned to eliminate duplicates Z: 19 12.140 2.187 0.624 0.267 0.722 0.444 CB 1.455 19 residues pruned to eliminate duplicates Z: 30 20.135 2.067 0.563 0.442 0.828 0.586 CB 1.485 30 residues pruned to eliminate duplicates Z: 39 20.681 2.025 0.447 0.430 0.895 0.553 CB 1.376 39 residues pruned to eliminate duplicates Z: 10 6.391 1.709 -0.007 0.634 1.000 0.667 CB 1.107 8 residues pruned to eliminate duplicates Z: 14 13.364 1.987 0.419 0.443 1.000 0.615 CB 1.395 14 residues pruned to eliminate duplicates Z: 11 4.321 1.651 -0.099 0.363 0.900 0.600 CB 1.183 7 residues pruned to eliminate duplicates Z: 14 10.510 1.742 0.713 0.281 0.923 0.462 CA 1.354 14 residues pruned to eliminate duplicates Z: 72 52.906 2.256 0.648 0.645 0.944 0.676 CB 1.563 72 residues pruned to eliminate duplicates Z: 31 37.013 2.318 0.615 0.668 0.967 0.567 CB 1.599 31 residues pruned to eliminate duplicates Z: 7 2.717 1.501 0.045 0.325 0.667 0.500 CB 1.284 Z: 36 31.298 2.201 0.483 0.573 0.971 0.600 CB 1.555 36 residues pruned to eliminate duplicates Z: 45 35.407 2.166 0.589 0.602 0.886 0.659 CB 1.588 45 residues pruned to eliminate duplicates Z: 7 8.910 1.837 0.298 0.456 1.000 0.500 O 1.597 7 residues pruned to eliminate duplicates Z: 8 5.687 1.955 0.078 0.404 0.857 0.571 CB 1.316 Z: 19 16.076 1.920 0.875 0.424 0.833 0.611 CB 1.367 19 residues pruned to eliminate duplicates Z: 19 13.330 1.809 0.516 0.532 1.000 0.500 CB 1.110 31 residues pruned to eliminate duplicates Z: 15 10.804 1.769 0.625 0.334 0.857 0.571 CB 1.405 20 residues pruned to eliminate duplicates Z: 9 5.944 1.668 0.052 0.731 0.875 0.750 CB 1.112 8 residues pruned to eliminate duplicates Z: 37 20.597 1.908 0.583 0.471 0.944 0.556 CB 1.239 37 residues pruned to eliminate duplicates Z: 45 22.684 2.062 0.362 0.489 0.864 0.568 CB 1.426 45 residues pruned to eliminate duplicates Z: 6 6.346 1.458 0.766 0.745 0.800 0.600 CA 1.106 6 residues pruned to eliminate duplicates Z: 46 37.166 2.197 0.704 0.643 0.911 0.644 CB 1.420 46 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 24 54.179 2.327 1.205 0.918 0.957 0.652 CB 1.623 24 residues pruned to eliminate duplicates Z: 51 44.877 2.292 1.023 0.558 0.860 0.480 CB 1.504 51 residues pruned to eliminate duplicates Z: 43 51.093 2.300 1.235 0.618 0.881 0.381 CB 1.558 43 residues pruned to eliminate duplicates Z: 56 43.191 2.270 0.873 0.575 0.873 0.436 CB 1.460 56 residues pruned to eliminate duplicates Z: 80 64.454 2.287 0.921 0.647 0.924 0.519 CB 1.558 80 residues pruned to eliminate duplicates Z: 48 40.865 2.212 0.791 0.580 0.894 0.702 CB 1.560 48 residues pruned to eliminate duplicates Z: 123 68.285 2.233 0.843 0.597 0.934 0.574 CB 1.465 123 residues pruned to eliminate duplicates Z: 48 40.263 2.195 0.984 0.625 0.872 0.468 CB 1.374 48 residues pruned to eliminate duplicates Z: 54 39.835 2.188 0.961 0.591 0.830 0.453 CB 1.408 54 residues pruned to eliminate duplicates Z: 51 43.541 2.255 0.948 0.532 0.900 0.380 CB 1.510 51 residues pruned to eliminate duplicates Z: 57 47.589 2.256 0.973 0.571 0.893 0.464 CB 1.495 57 residues pruned to eliminate duplicates Z: 48 50.945 2.244 1.014 0.669 0.936 0.532 CB 1.502 48 residues pruned to eliminate duplicates Z: 123 64.528 2.244 0.793 0.576 0.910 0.541 CB 1.484 123 residues pruned to eliminate duplicates Z: 73 66.421 2.305 1.016 0.678 0.931 0.514 CB 1.538 73 residues pruned to eliminate duplicates Z: 56 46.084 2.243 0.983 0.574 0.873 0.473 CB 1.491 56 residues pruned to eliminate duplicates Z: 56 36.123 2.194 0.828 0.557 0.764 0.382 CB 1.505 56 residues pruned to eliminate duplicates Z: 74 52.927 2.234 0.957 0.494 0.932 0.397 CB 1.531 74 residues pruned to eliminate duplicates Z: 72 55.152 2.321 0.928 0.518 0.915 0.521 CB 1.570 72 residues pruned to eliminate duplicates Z: 71 48.455 2.270 0.873 0.519 0.871 0.429 CB 1.534 71 residues pruned to eliminate duplicates Z: 22 21.916 2.225 0.586 0.362 0.905 0.476 CB 1.739 22 residues pruned to eliminate duplicates Z: 49 39.515 2.278 0.765 0.587 0.938 0.583 CB 1.392 49 residues pruned to eliminate duplicates Z: 38 35.831 2.259 0.646 0.609 0.919 0.622 CB 1.555 38 residues pruned to eliminate duplicates Z: 50 43.081 2.169 1.001 0.575 0.918 0.592 CB 1.436 50 residues pruned to eliminate duplicates Z: 55 32.785 1.993 0.661 0.559 0.944 0.556 CB 1.347 55 residues pruned to eliminate duplicates Z: 38 36.360 2.195 0.845 0.566 0.892 0.595 CB 1.552 38 residues pruned to eliminate duplicates Z: 37 41.884 2.276 0.744 0.641 0.944 0.667 CB 1.631 37 residues pruned to eliminate duplicates Z: 27 40.825 2.329 0.747 0.679 0.962 0.692 CB 1.736 27 residues pruned to eliminate duplicates Z: 90 55.807 2.277 0.823 0.599 0.888 0.551 CB 1.461 90 residues pruned to eliminate duplicates Z: 74 61.968 2.295 1.005 0.628 0.918 0.479 CB 1.522 74 residues pruned to eliminate duplicates Z: 25 37.576 2.297 0.641 0.704 0.958 0.708 CB 1.764 25 residues pruned to eliminate duplicates Z: 32 39.408 2.308 0.743 0.626 0.935 0.710 CB 1.671 32 residues pruned to eliminate duplicates Z: 46 41.880 2.202 0.798 0.611 0.933 0.711 CB 1.521 46 residues pruned to eliminate duplicates Z: 30 32.262 2.241 0.737 0.666 0.897 0.621 CB 1.473 30 residues pruned to eliminate duplicates Z: 76 59.309 2.306 0.899 0.640 0.907 0.467 CB 1.512 76 residues pruned to eliminate duplicates Z: 35 38.608 2.259 0.705 0.634 0.912 0.647 CB 1.662 35 residues pruned to eliminate duplicates Z: 37 31.144 2.219 0.724 0.579 0.889 0.556 CB 1.414 37 residues pruned to eliminate duplicates Z: 36 39.774 2.292 0.749 0.649 0.971 0.657 CB 1.503 36 residues pruned to eliminate duplicates Z: 33 40.057 2.314 0.766 0.694 0.938 0.656 CB 1.548 33 residues pruned to eliminate duplicates Z: 41 42.917 2.276 0.792 0.612 0.950 0.600 CB 1.575 41 residues pruned to eliminate duplicates Z: 49 29.940 2.192 0.575 0.531 0.854 0.604 CB 1.421 49 residues pruned to eliminate duplicates Z: 33 34.926 2.177 0.901 0.660 0.906 0.625 CB 1.419 33 residues pruned to eliminate duplicates Z: 129 64.179 2.223 0.814 0.555 0.922 0.484 CB 1.448 129 residues pruned to eliminate duplicates Z: 44 34.551 2.179 0.727 0.585 0.953 0.558 CB 1.353 44 residues pruned to eliminate duplicates Z: 25 37.981 2.316 0.825 0.708 0.917 0.500 CB 1.656 25 residues pruned to eliminate duplicates Z: 15 27.697 2.360 0.783 0.833 0.929 0.643 CB 1.422 15 residues pruned to eliminate duplicates Z: 102 73.227 2.308 0.972 0.570 0.950 0.485 CB 1.574 102 residues pruned to eliminate duplicates Z: 10 8.749 2.013 0.503 0.355 0.889 0.222 CB 1.268 10 residues pruned to eliminate duplicates Z: 42 35.200 2.239 0.584 0.592 0.927 0.561 CB 1.532 42 residues pruned to eliminate duplicates Z: 13 10.574 2.078 0.733 0.420 0.833 0.250 CB 1.106 13 residues pruned to eliminate duplicates Z: 19 23.407 2.342 0.693 0.416 0.889 0.556 CB 1.708 19 residues pruned to eliminate duplicates Z: 47 44.408 2.305 0.818 0.579 0.935 0.609 CB 1.549 47 residues pruned to eliminate duplicates Z: 33 35.809 2.284 0.652 0.621 0.906 0.500 CB 1.651 33 residues pruned to eliminate duplicates Z: 96 50.602 2.240 0.638 0.553 0.884 0.611 CB 1.520 146 residues pruned to eliminate duplicates Z: 6 2.020 1.524 0.819 0.402 0.800 0.200 CB 0.451 6 residues pruned to eliminate duplicates Z: 49 24.486 1.963 0.566 0.420 0.917 0.333 CB 1.362 49 residues pruned to eliminate duplicates Z: 16 21.022 2.224 0.790 0.429 0.933 0.667 CA 1.572 16 residues pruned to eliminate duplicates Z: 53 28.937 1.950 0.740 0.485 0.904 0.519 CB 1.329 53 residues pruned to eliminate duplicates Z: 31 18.692 2.105 0.616 0.391 0.833 0.400 CB 1.351 31 residues pruned to eliminate duplicates Z: 49 28.441 1.964 0.673 0.496 0.938 0.438 CB 1.338 49 residues pruned to eliminate duplicates Z: 44 29.537 1.977 0.711 0.495 0.977 0.512 CB 1.370 44 residues pruned to eliminate duplicates Z: 26 18.284 2.091 0.675 0.383 0.840 0.560 CB 1.407 26 residues pruned to eliminate duplicates Z: 44 29.661 1.974 0.863 0.518 0.907 0.535 CB 1.332 44 residues pruned to eliminate duplicates Z: 30 20.180 2.163 0.573 0.402 0.862 0.414 CB 1.416 30 residues pruned to eliminate duplicates Z: 50 29.986 2.009 0.669 0.488 0.939 0.510 CB 1.377 50 residues pruned to eliminate duplicates Z: 70 48.347 2.276 0.803 0.544 0.899 0.580 CB 1.512 70 residues pruned to eliminate duplicates Z: 27 14.424 2.044 0.708 0.366 0.769 0.462 CB 1.216 27 residues pruned to eliminate duplicates Z: 27 22.949 2.202 0.680 0.393 0.846 0.423 CB 1.610 27 residues pruned to eliminate duplicates Z: 25 27.306 2.270 0.675 0.478 0.917 0.500 CB 1.635 25 residues pruned to eliminate duplicates Z: 87 50.768 2.128 0.788 0.572 0.930 0.616 CB 1.443 87 residues pruned to eliminate duplicates Z: 49 25.402 1.964 0.632 0.465 0.938 0.479 CB 1.265 49 residues pruned to eliminate duplicates Z: 45 42.497 2.283 0.853 0.625 0.909 0.705 CB 1.481 45 residues pruned to eliminate duplicates Z: 47 38.479 2.247 0.665 0.601 0.891 0.717 CB 1.546 47 residues pruned to eliminate duplicates Z: 33 38.972 2.350 0.750 0.661 0.906 0.688 CB 1.592 33 residues pruned to eliminate duplicates Z: 108 64.768 2.327 0.673 0.586 0.935 0.673 CB 1.585 108 residues pruned to eliminate duplicates Z: 90 49.599 2.249 0.626 0.609 0.888 0.629 CB 1.460 90 residues pruned to eliminate duplicates Z: 48 41.853 2.260 0.827 0.589 0.915 0.617 CB 1.484 48 residues pruned to eliminate duplicates Z: 109 57.599 2.263 0.690 0.601 0.889 0.667 CB 1.480 109 residues pruned to eliminate duplicates Z: 29 36.830 2.339 1.056 0.604 0.893 0.679 CB 1.469 29 residues pruned to eliminate duplicates Z: 87 47.819 2.124 0.750 0.580 0.895 0.628 CB 1.435 87 residues pruned to eliminate duplicates Z: 46 43.985 2.296 0.807 0.625 0.933 0.622 CB 1.506 46 residues pruned to eliminate duplicates Z: 31 41.495 2.343 0.822 0.675 0.967 0.700 CB 1.563 31 residues pruned to eliminate duplicates Z: 32 39.816 2.326 0.882 0.649 0.903 0.677 CB 1.574 32 residues pruned to eliminate duplicates Z: 51 38.641 2.247 0.782 0.586 0.880 0.600 CB 1.428 51 residues pruned to eliminate duplicates Z: 54 39.527 2.295 0.701 0.606 0.887 0.566 CB 1.418 54 residues pruned to eliminate duplicates Z: 47 40.798 2.271 0.818 0.595 0.891 0.609 CB 1.492 47 residues pruned to eliminate duplicates Z: 67 42.034 2.228 0.714 0.528 0.879 0.485 CB 1.500 67 residues pruned to eliminate duplicates Z: 37 44.926 2.281 0.855 0.708 0.944 0.583 CB 1.551 37 residues pruned to eliminate duplicates Z: 36 49.589 2.299 1.116 0.690 0.914 0.600 CB 1.584 36 residues pruned to eliminate duplicates Z: 88 56.287 2.289 0.726 0.618 0.908 0.598 CB 1.505 88 residues pruned to eliminate duplicates Z: 59 33.794 2.155 0.713 0.495 0.879 0.569 CB 1.374 59 residues pruned to eliminate duplicates Z: 57 40.022 2.195 0.919 0.552 0.875 0.482 CB 1.379 57 residues pruned to eliminate duplicates Z: 92 59.574 2.236 0.877 0.597 0.901 0.582 CB 1.505 92 residues pruned to eliminate duplicates Z: 45 45.211 2.279 0.960 0.621 0.909 0.455 CB 1.497 45 residues pruned to eliminate duplicates Z: 87 49.945 2.110 0.834 0.554 0.930 0.477 CB 1.419 87 residues pruned to eliminate duplicates Z: 29 32.139 2.172 0.871 0.689 0.857 0.536 CB 1.467 29 residues pruned to eliminate duplicates Z: 39 40.117 2.239 0.822 0.695 0.921 0.526 CB 1.449 39 residues pruned to eliminate duplicates Z: 67 50.305 2.260 0.869 0.568 0.909 0.485 CB 1.511 67 residues pruned to eliminate duplicates Z: 45 42.608 2.255 0.877 0.621 0.886 0.477 CB 1.528 45 residues pruned to eliminate duplicates Z: 48 45.777 2.259 1.005 0.608 0.915 0.468 CB 1.454 48 residues pruned to eliminate duplicates Z: 40 45.503 2.283 1.042 0.646 0.923 0.564 CB 1.478 40 residues pruned to eliminate duplicates Z: 91 50.371 2.116 0.858 0.570 0.911 0.522 CB 1.386 91 residues pruned to eliminate duplicates Z: 51 45.957 2.255 1.007 0.647 0.900 0.500 CB 1.391 51 residues pruned to eliminate duplicates Z: 52 44.146 2.245 0.990 0.631 0.922 0.451 CB 1.328 52 residues pruned to eliminate duplicates Z: 48 44.153 2.239 1.079 0.582 0.915 0.447 CB 1.398 48 residues pruned to eliminate duplicates Z: 47 47.835 2.297 1.037 0.593 0.913 0.478 CB 1.510 47 residues pruned to eliminate duplicates Z: 38 40.211 2.211 0.996 0.658 0.892 0.541 CB 1.450 38 residues pruned to eliminate duplicates Z: 73 60.151 2.275 0.888 0.678 0.903 0.625 CB 1.552 73 residues pruned to eliminate duplicates Z: 93 52.098 2.158 0.846 0.578 0.880 0.554 CB 1.436 93 residues pruned to eliminate duplicates Z: 53 30.755 2.133 0.433 0.588 0.904 0.615 CB 1.418 53 residues pruned to eliminate duplicates Z: 66 48.855 2.325 0.648 0.544 0.908 0.646 CB 1.670 66 residues pruned to eliminate duplicates Z: 11 26.347 2.349 0.840 0.668 1.000 0.800 CB 1.651 11 residues pruned to eliminate duplicates Z: 40 42.749 2.328 0.714 0.680 0.923 0.667 CB 1.574 40 residues pruned to eliminate duplicates Z: 64 47.794 2.315 0.632 0.547 0.905 0.635 CB 1.682 64 residues pruned to eliminate duplicates Z: 19 25.315 2.220 0.824 0.561 0.889 0.722 CB 1.562 19 residues pruned to eliminate duplicates Z: 44 37.524 2.246 0.525 0.650 0.930 0.651 CB 1.563 44 residues pruned to eliminate duplicates Z: 11 16.092 2.224 0.669 0.627 0.900 0.800 CB 1.352 11 residues pruned to eliminate duplicates Z: 10 21.830 2.234 0.980 0.750 1.000 1.000 CB 1.316 10 residues pruned to eliminate duplicates Z: 46 38.683 2.222 0.674 0.623 0.911 0.689 CB 1.515 46 residues pruned to eliminate duplicates Z: 44 37.954 2.240 0.568 0.613 0.930 0.651 CB 1.591 44 residues pruned to eliminate duplicates Z: 15 21.109 2.171 0.701 0.538 1.000 0.714 CB 1.472 15 residues pruned to eliminate duplicates Z: 54 47.702 2.214 0.942 0.606 0.925 0.415 CB 1.490 54 residues pruned to eliminate duplicates Z: 18 23.380 2.233 0.860 0.493 1.000 0.706 CB 1.374 18 residues pruned to eliminate duplicates Z: 63 55.452 2.383 0.692 0.598 0.952 0.613 CB 1.672 63 residues pruned to eliminate duplicates Z: 41 40.398 2.262 0.659 0.664 0.975 0.825 CB 1.500 41 residues pruned to eliminate duplicates Z: 67 47.247 2.322 0.581 0.538 0.924 0.652 CB 1.651 67 residues pruned to eliminate duplicates Z: 66 51.010 2.342 0.635 0.541 0.938 0.585 CB 1.692 66 residues pruned to eliminate duplicates Z: 56 46.927 2.309 0.685 0.546 0.927 0.582 CB 1.676 56 residues pruned to eliminate duplicates Z: 43 37.851 2.239 0.547 0.634 0.952 0.571 CB 1.562 43 residues pruned to eliminate duplicates Z: 38 34.373 2.209 0.624 0.556 0.919 0.486 CB 1.623 38 residues pruned to eliminate duplicates Z: 62 48.186 2.349 0.640 0.556 0.951 0.721 CB 1.595 62 residues pruned to eliminate duplicates Z: 109 63.300 2.289 0.762 0.562 0.917 0.611 CB 1.551 109 residues pruned to eliminate duplicates Z: 38 36.965 2.305 0.648 0.649 0.919 0.649 CB 1.515 38 residues pruned to eliminate duplicates Z: 87 59.160 2.215 0.848 0.635 0.895 0.477 CB 1.533 87 residues pruned to eliminate duplicates Z: 66 44.621 2.262 0.558 0.523 0.954 0.600 CB 1.609 66 residues pruned to eliminate duplicates Z: 64 45.755 2.302 0.625 0.541 0.905 0.556 CB 1.636 64 residues pruned to eliminate duplicates Z: 64 50.162 2.347 0.633 0.543 0.968 0.635 CB 1.632 64 residues pruned to eliminate duplicates Z: 56 43.821 2.303 0.628 0.554 0.909 0.655 CB 1.644 56 residues pruned to eliminate duplicates Z: 41 39.144 2.271 0.651 0.621 0.950 0.750 CB 1.550 41 residues pruned to eliminate duplicates Z: 124 60.949 2.174 0.747 0.562 0.919 0.545 CB 1.483 124 residues pruned to eliminate duplicates Z: 105 49.705 2.232 0.545 0.483 0.923 0.567 CB 1.558 51 residues pruned to eliminate duplicates Z: 17 37.256 2.338 0.574 0.920 1.000 0.688 CB 1.781 17 residues pruned to eliminate duplicates Z: 43 41.162 2.282 0.661 0.605 0.952 0.595 CB 1.593 34 residues pruned to eliminate duplicates Z: 24 27.899 2.263 0.536 0.733 0.870 0.609 CB 1.561 24 residues pruned to eliminate duplicates Z: 107 54.507 2.240 0.630 0.511 0.925 0.538 CB 1.552 107 residues pruned to eliminate duplicates Z: 6 3.180 1.625 0.357 0.642 0.600 0.400 CB 0.941 6 residues pruned to eliminate duplicates Z: 62 45.136 2.332 0.603 0.534 0.934 0.639 CB 1.601 62 residues pruned to eliminate duplicates Z: 89 55.957 2.260 0.739 0.603 0.898 0.511 CB 1.533 46 residues pruned to eliminate duplicates Z: 7 8.448 1.909 0.989 0.353 1.000 0.500 CA 1.064 7 residues pruned to eliminate duplicates Z: 56 50.956 2.354 0.781 0.576 0.945 0.673 CB 1.611 56 residues pruned to eliminate duplicates Z: 25 30.436 2.396 0.631 0.495 0.958 0.667 CB 1.667 25 residues pruned to eliminate duplicates Z: 22 36.947 2.520 0.917 0.462 0.952 0.714 CB 1.821 22 residues pruned to eliminate duplicates Z: 87 37.417 2.108 0.498 0.480 0.953 0.558 CB 1.367 87 residues pruned to eliminate duplicates Z: 40 29.549 2.160 0.481 0.465 1.000 0.538 CB 1.533 40 residues pruned to eliminate duplicates Z: 63 38.329 2.210 0.594 0.475 0.935 0.565 CB 1.515 63 residues pruned to eliminate duplicates Z: 40 25.348 2.116 0.520 0.420 0.949 0.564 CB 1.446 40 residues pruned to eliminate duplicates Z: 13 19.355 2.324 0.507 0.404 1.000 0.417 CA 1.765 13 residues pruned to eliminate duplicates Z: 22 35.337 2.445 0.801 0.527 1.000 0.667 CB 1.705 22 residues pruned to eliminate duplicates Z: 28 36.250 2.417 0.849 0.465 0.963 0.556 CB 1.679 28 residues pruned to eliminate duplicates Z: 26 25.937 2.280 0.672 0.387 0.880 0.560 CB 1.743 26 residues pruned to eliminate duplicates Z: 74 42.363 2.228 0.609 0.476 0.945 0.479 CB 1.498 74 residues pruned to eliminate duplicates Z: 40 35.018 2.184 0.675 0.498 1.000 0.641 CB 1.537 40 residues pruned to eliminate duplicates Z: 28 36.215 2.345 0.802 0.501 0.963 0.519 CB 1.711 28 residues pruned to eliminate duplicates Z: 26 40.339 2.399 0.952 0.500 0.960 0.680 CA 1.794 26 residues pruned to eliminate duplicates Z: 46 33.304 2.062 0.740 0.482 0.956 0.533 CB 1.474 46 residues pruned to eliminate duplicates Z: 10 11.890 2.002 0.519 0.566 0.889 0.556 CA 1.376 10 residues pruned to eliminate duplicates Z: 61 33.346 2.156 0.593 0.461 0.917 0.500 CB 1.424 61 residues pruned to eliminate duplicates Z: 56 34.092 2.149 0.585 0.489 0.964 0.527 CB 1.416 56 residues pruned to eliminate duplicates Z: 122 64.190 2.239 0.733 0.569 0.926 0.529 CB 1.520 122 residues pruned to eliminate duplicates Z: 68 35.349 2.138 0.555 0.457 0.925 0.493 CB 1.467 68 residues pruned to eliminate duplicates Z: 47 28.259 2.133 0.592 0.482 0.848 0.500 CB 1.474 47 residues pruned to eliminate duplicates Z: 38 28.686 2.106 0.623 0.515 0.946 0.514 CB 1.437 38 residues pruned to eliminate duplicates Z: 52 28.079 2.096 0.554 0.446 0.922 0.451 CB 1.385 52 residues pruned to eliminate duplicates Z: 41 26.494 2.078 0.606 0.495 0.925 0.450 CB 1.364 41 residues pruned to eliminate duplicates Z: 45 26.086 2.063 0.626 0.523 0.818 0.409 CB 1.401 45 residues pruned to eliminate duplicates Z: 39 28.571 2.126 0.656 0.534 0.921 0.500 CB 1.382 39 residues pruned to eliminate duplicates Z: 52 28.163 2.117 0.459 0.475 0.902 0.529 CB 1.452 52 residues pruned to eliminate duplicates Z: 53 29.305 2.117 0.507 0.464 0.962 0.442 CB 1.374 53 residues pruned to eliminate duplicates Z: 40 31.400 2.135 0.660 0.551 0.974 0.538 CB 1.386 40 residues pruned to eliminate duplicates Z: 31 28.026 2.092 0.640 0.566 0.967 0.600 CB 1.449 31 residues pruned to eliminate duplicates Z: 46 28.771 2.132 0.624 0.489 0.867 0.511 CB 1.446 46 residues pruned to eliminate duplicates Z: 54 30.402 2.103 0.565 0.451 0.925 0.509 CB 1.444 54 residues pruned to eliminate duplicates Z: 56 32.536 2.138 0.600 0.474 0.927 0.473 CB 1.420 56 residues pruned to eliminate duplicates Z: 52 31.361 2.100 0.655 0.474 0.941 0.549 CB 1.379 52 residues pruned to eliminate duplicates Z: 48 26.659 2.123 0.526 0.460 0.894 0.468 CB 1.399 48 residues pruned to eliminate duplicates Z: 45 29.707 2.107 0.644 0.484 0.932 0.500 CB 1.409 45 residues pruned to eliminate duplicates Z: 40 28.468 2.059 0.669 0.510 0.949 0.487 CB 1.385 40 residues pruned to eliminate duplicates Z: 45 31.284 2.129 0.645 0.487 0.932 0.500 CB 1.464 45 residues pruned to eliminate duplicates Z: 44 28.371 2.070 0.590 0.456 0.953 0.488 CB 1.442 44 residues pruned to eliminate duplicates Z: 50 31.342 2.111 0.613 0.494 0.939 0.408 CB 1.409 50 residues pruned to eliminate duplicates Z: 41 32.410 2.060 0.674 0.526 0.950 0.475 CB 1.524 41 residues pruned to eliminate duplicates Z: 46 29.527 2.133 0.613 0.497 0.889 0.578 CB 1.444 46 residues pruned to eliminate duplicates Z: 38 31.632 2.093 0.736 0.516 0.973 0.541 CB 1.449 38 residues pruned to eliminate duplicates Z: 39 32.312 2.153 0.786 0.559 0.921 0.526 CB 1.397 39 residues pruned to eliminate duplicates Z: 51 31.816 2.123 0.576 0.478 0.980 0.460 CB 1.403 51 residues pruned to eliminate duplicates Z: 38 30.537 2.095 0.692 0.501 0.946 0.568 CB 1.496 38 residues pruned to eliminate duplicates Z: 50 31.909 2.171 0.528 0.470 0.959 0.429 CB 1.476 50 residues pruned to eliminate duplicates Z: 21 13.921 2.140 0.379 0.368 0.850 0.350 CB 1.429 21 residues pruned to eliminate duplicates Z: 48 30.573 2.139 0.572 0.461 0.936 0.511 CB 1.474 48 residues pruned to eliminate duplicates Z: 38 31.813 2.124 0.649 0.545 0.973 0.514 CB 1.469 38 residues pruned to eliminate duplicates Z: 52 29.622 2.136 0.500 0.461 0.922 0.412 CB 1.462 52 residues pruned to eliminate duplicates Z: 102 48.531 2.171 0.596 0.514 0.941 0.594 CB 1.461 102 residues pruned to eliminate duplicates Z: 99 50.451 2.218 0.633 0.537 0.918 0.602 CB 1.479 99 residues pruned to eliminate duplicates Z: 90 42.519 2.130 0.646 0.490 0.876 0.472 CB 1.481 90 residues pruned to eliminate duplicates Z: 23 17.392 2.032 0.614 0.395 0.864 0.455 CB 1.462 23 residues pruned to eliminate duplicates Z: 70 43.463 2.234 0.711 0.555 0.884 0.580 CB 1.468 70 residues pruned to eliminate duplicates Z: 51 28.576 2.129 0.568 0.461 0.900 0.380 CB 1.399 51 residues pruned to eliminate duplicates Z: 15 14.619 2.190 0.536 0.401 0.786 0.500 CB 1.640 15 residues pruned to eliminate duplicates Z: 52 31.791 2.108 0.600 0.504 0.922 0.490 CB 1.426 52 residues pruned to eliminate duplicates Z: 58 29.806 2.114 0.632 0.423 0.877 0.456 CB 1.414 58 residues pruned to eliminate duplicates Z: 37 25.783 2.139 0.862 0.411 0.833 0.333 CB 1.421 37 residues pruned to eliminate duplicates Z: 7 6.602 2.118 0.487 0.249 0.833 0.333 CB 1.370 7 residues pruned to eliminate duplicates Z: 9 6.546 2.066 0.434 0.353 0.875 0.625 CB 1.047 9 residues pruned to eliminate duplicates Z: 122 64.154 2.214 0.725 0.582 0.926 0.628 CB 1.525 122 residues pruned to eliminate duplicates Z: 92 56.973 2.246 0.787 0.571 0.934 0.560 CB 1.487 92 residues pruned to eliminate duplicates Z: 129 64.320 2.205 0.721 0.590 0.930 0.648 CB 1.479 129 residues pruned to eliminate duplicates Z: 51 41.607 2.300 0.734 0.582 0.920 0.680 CB 1.482 51 residues pruned to eliminate duplicates Z: 60 36.770 2.223 0.553 0.560 0.898 0.627 CB 1.455 60 residues pruned to eliminate duplicates Z: 92 52.162 2.224 0.722 0.562 0.923 0.571 CB 1.456 92 residues pruned to eliminate duplicates Z: 53 36.646 2.174 0.636 0.589 0.885 0.635 CB 1.483 53 residues pruned to eliminate duplicates Z: 56 37.388 2.212 0.633 0.573 0.873 0.655 CB 1.489 56 residues pruned to eliminate duplicates Z: 38 36.988 2.287 0.623 0.656 0.919 0.730 CB 1.542 38 residues pruned to eliminate duplicates Z: 47 40.173 2.288 0.631 0.659 0.891 0.761 CB 1.537 47 residues pruned to eliminate duplicates Z: 79 58.120 2.313 0.792 0.634 0.897 0.679 CB 1.560 79 residues pruned to eliminate duplicates Z: 30 29.269 2.178 0.850 0.563 0.862 0.655 CB 1.471 30 residues pruned to eliminate duplicates Z: 48 41.668 2.286 0.807 0.568 0.894 0.638 CB 1.541 48 residues pruned to eliminate duplicates Z: 43 38.807 2.266 0.840 0.619 0.905 0.619 CB 1.418 43 residues pruned to eliminate duplicates Z: 58 36.988 2.239 0.616 0.556 0.912 0.667 CB 1.405 58 residues pruned to eliminate duplicates Z: 88 45.923 2.259 0.665 0.536 0.839 0.586 CB 1.506 88 residues pruned to eliminate duplicates Z: 25 32.928 2.352 0.993 0.604 0.875 0.667 CB 1.484 25 residues pruned to eliminate duplicates Z: 50 34.983 2.166 0.661 0.581 0.918 0.612 CB 1.400 50 residues pruned to eliminate duplicates Z: 51 42.625 2.241 0.802 0.622 0.900 0.620 CB 1.479 51 residues pruned to eliminate duplicates Z: 46 42.413 2.284 0.763 0.632 0.911 0.667 CB 1.521 46 residues pruned to eliminate duplicates Z: 60 43.056 2.250 0.810 0.569 0.847 0.508 CB 1.519 60 residues pruned to eliminate duplicates Z: 99 53.512 2.217 0.789 0.563 0.888 0.571 CB 1.444 99 residues pruned to eliminate duplicates Z: 50 41.606 2.195 0.937 0.588 0.857 0.388 CB 1.500 50 residues pruned to eliminate duplicates Z: 79 59.718 2.309 0.855 0.639 0.910 0.590 CB 1.522 79 residues pruned to eliminate duplicates Z: 98 50.547 2.190 0.772 0.561 0.876 0.505 CB 1.422 98 residues pruned to eliminate duplicates Z: 12 17.733 2.322 0.833 0.502 0.818 0.818 CB 1.532 Z: 27 28.076 2.305 0.725 0.417 0.923 0.654 CB 1.636 12 residues pruned to eliminate duplicates Z: 24 31.827 2.339 0.807 0.468 0.957 0.609 CB 1.696 24 residues pruned to eliminate duplicates Z: 24 36.077 2.405 0.743 0.549 1.000 0.522 CB 1.710 25 residues pruned to eliminate duplicates Z: 6 9.511 1.871 1.528 0.407 1.000 0.400 CA 0.991 6 residues pruned to eliminate duplicates Z: 28 30.885 2.230 0.727 0.473 0.926 0.630 CA 1.713 28 residues pruned to eliminate duplicates Z: 32 35.141 2.343 0.781 0.491 0.903 0.645 CB 1.691 31 residues pruned to eliminate duplicates Z: 6 6.152 1.691 0.769 0.417 1.000 0.800 CA 1.003 6 residues pruned to eliminate duplicates Z: 64 51.023 2.290 0.791 0.587 0.921 0.603 CB 1.566 91 residues pruned to eliminate duplicates Z: 152 70.895 2.256 0.794 0.569 0.887 0.510 CB 1.502 152 residues pruned to eliminate duplicates Z: 25 35.246 2.315 0.794 0.514 1.000 0.750 CB 1.709 Z: 6 5.886 1.617 0.620 0.460 0.800 0.600 CA 1.309 6 residues pruned to eliminate duplicates Z: 6 5.128 1.772 0.351 0.287 1.000 0.200 CA 1.218 Z: 6 3.061 1.769 1.061 0.100 0.600 0.200 CA 1.043 Z: 6 6.512 1.863 0.401 0.366 1.000 0.400 CA 1.287 6 residues pruned to eliminate duplicates Z: 6 7.409 1.655 0.615 0.454 1.000 0.800 CB 1.298 6 residues pruned to eliminate duplicates Z: 41 35.895 2.198 0.551 0.666 0.950 0.650 CB 1.503 41 residues pruned to eliminate duplicates Z: 37 33.827 2.132 0.784 0.616 0.889 0.667 CB 1.493 37 residues pruned to eliminate duplicates Z: 63 44.511 2.238 0.569 0.542 0.984 0.629 CB 1.570 63 residues pruned to eliminate duplicates Z: 62 41.980 2.197 0.597 0.558 0.934 0.639 CB 1.549 62 residues pruned to eliminate duplicates Z: 62 49.299 2.264 0.644 0.616 0.967 0.689 CB 1.571 62 residues pruned to eliminate duplicates Z: 63 43.991 2.235 0.583 0.570 0.952 0.661 CB 1.551 63 residues pruned to eliminate duplicates Z: 37 32.596 2.108 0.684 0.630 0.917 0.611 CB 1.478 37 residues pruned to eliminate duplicates Z: 44 33.387 2.120 0.543 0.628 0.930 0.605 CB 1.483 44 residues pruned to eliminate duplicates Z: 41 33.866 2.195 0.569 0.621 0.925 0.650 CB 1.500 41 residues pruned to eliminate duplicates Z: 33 32.967 2.160 0.744 0.663 0.969 0.750 CB 1.373 33 residues pruned to eliminate duplicates Z: 65 43.014 2.193 0.606 0.560 0.953 0.672 CB 1.511 65 residues pruned to eliminate duplicates Z: 63 44.693 2.221 0.583 0.591 0.968 0.645 CB 1.528 63 residues pruned to eliminate duplicates Z: 69 43.510 2.178 0.595 0.538 0.926 0.647 CB 1.579 69 residues pruned to eliminate duplicates Z: 34 34.650 2.158 0.636 0.661 0.970 0.727 CB 1.519 34 residues pruned to eliminate duplicates Z: 19 26.488 2.112 0.697 0.763 0.944 0.778 CB 1.461 19 residues pruned to eliminate duplicates Z: 39 31.619 2.143 0.594 0.590 0.947 0.553 CB 1.455 39 residues pruned to eliminate duplicates Z: 51 41.342 2.271 0.614 0.588 0.940 0.660 CB 1.560 51 residues pruned to eliminate duplicates Z: 42 34.317 2.187 0.587 0.601 0.951 0.683 CB 1.474 42 residues pruned to eliminate duplicates Z: 54 38.425 2.213 0.603 0.539 0.925 0.660 CB 1.549 54 residues pruned to eliminate duplicates Z: 33 26.966 2.102 0.585 0.597 0.906 0.562 CB 1.439 33 residues pruned to eliminate duplicates Z: 84 45.550 2.200 0.565 0.517 0.940 0.542 CB 1.519 84 residues pruned to eliminate duplicates Z: 15 35.228 2.231 0.837 0.896 1.000 0.500 CA 1.647 15 residues pruned to eliminate duplicates Z: 64 43.117 2.193 0.635 0.531 0.937 0.524 CB 1.569 66 residues pruned to eliminate duplicates Z: 17 34.338 2.175 0.719 0.934 1.000 0.688 CA 1.602 17 residues pruned to eliminate duplicates Z: 35 34.425 2.187 0.694 0.610 0.941 0.559 CB 1.526 35 residues pruned to eliminate duplicates Z: 40 33.386 2.193 0.594 0.631 0.949 0.590 CB 1.426 40 residues pruned to eliminate duplicates Z: 37 30.044 2.129 0.525 0.594 0.944 0.583 CB 1.493 37 residues pruned to eliminate duplicates Z: 48 37.868 2.140 0.633 0.609 0.957 0.638 CB 1.488 48 residues pruned to eliminate duplicates Z: 61 48.590 2.249 0.672 0.597 0.983 0.683 CB 1.547 61 residues pruned to eliminate duplicates Z: 47 39.682 2.201 0.732 0.562 0.935 0.652 CB 1.545 47 residues pruned to eliminate duplicates Z: 54 37.181 2.197 0.585 0.562 0.925 0.604 CB 1.493 54 residues pruned to eliminate duplicates Z: 28 30.322 2.336 0.597 0.436 1.000 0.667 CB 1.672 28 residues pruned to eliminate duplicates Z: 53 39.003 2.197 0.750 0.548 0.885 0.615 CB 1.518 53 residues pruned to eliminate duplicates Z: 60 46.385 2.218 0.675 0.591 0.966 0.661 CB 1.543 60 residues pruned to eliminate duplicates Z: 59 44.843 2.257 0.576 0.570 0.983 0.741 CB 1.574 59 residues pruned to eliminate duplicates Z: 62 44.570 2.240 0.575 0.561 0.967 0.689 CB 1.577 62 residues pruned to eliminate duplicates Z: 57 36.706 2.184 0.526 0.562 0.911 0.679 CB 1.522 57 residues pruned to eliminate duplicates Z: 46 40.404 2.287 0.629 0.613 0.911 0.733 CB 1.594 46 residues pruned to eliminate duplicates Z: 58 41.868 2.270 0.547 0.564 0.947 0.667 CB 1.566 58 residues pruned to eliminate duplicates Z: 48 29.016 2.108 0.709 0.405 0.915 0.511 CB 1.419 48 residues pruned to eliminate duplicates Z: 25 29.056 2.311 0.713 0.472 0.917 0.667 CA 1.682 25 residues pruned to eliminate duplicates Z: 27 24.183 2.153 0.549 0.458 0.923 0.577 CB 1.609 27 residues pruned to eliminate duplicates Z: 22 32.258 2.426 0.746 0.475 0.905 0.714 CA 1.885 22 residues pruned to eliminate duplicates Z: 28 29.794 2.187 0.741 0.469 0.963 0.704 CB 1.615 28 residues pruned to eliminate duplicates Z: 48 31.087 2.188 0.669 0.392 0.894 0.553 CB 1.557 48 residues pruned to eliminate duplicates Z: 27 28.240 2.185 0.775 0.432 0.923 0.654 CB 1.660 27 residues pruned to eliminate duplicates Z: 24 28.394 2.392 0.630 0.422 0.913 0.609 CB 1.805 24 residues pruned to eliminate duplicates Z: 26 31.332 2.303 0.684 0.508 0.920 0.680 CB 1.742 26 residues pruned to eliminate duplicates Z: 25 29.273 2.260 0.716 0.487 1.000 0.583 CB 1.561 25 residues pruned to eliminate duplicates Z: 51 33.980 2.132 0.729 0.502 0.920 0.620 CB 1.414 51 residues pruned to eliminate duplicates Z: 27 30.442 2.248 0.707 0.437 1.000 0.577 CB 1.660 27 residues pruned to eliminate duplicates Z: 14 17.441 2.123 0.687 0.403 0.923 0.385 CB 1.620 14 residues pruned to eliminate duplicates Z: 30 27.967 2.172 0.668 0.450 0.931 0.586 CB 1.621 30 residues pruned to eliminate duplicates Z: 46 29.862 2.103 0.613 0.476 0.933 0.644 CB 1.441 46 residues pruned to eliminate duplicates Z: 26 37.140 2.262 0.845 0.574 0.960 0.760 CB 1.725 26 residues pruned to eliminate duplicates Z: 10 18.756 2.158 0.609 0.665 1.000 0.778 CB 1.544 10 residues pruned to eliminate duplicates Z: 87 49.719 2.191 0.714 0.531 0.895 0.651 CB 1.546 59 residues pruned to eliminate duplicates Z: 6 7.355 1.837 0.925 0.332 1.000 0.800 CA 1.118 Z: 7 4.956 1.566 0.800 0.390 0.833 0.667 N 0.967 Z: 6 4.072 1.976 0.290 0.468 0.800 0.600 CB 0.922 6 residues pruned to eliminate duplicates Z: 83 39.387 2.055 0.613 0.524 0.902 0.646 CB 1.420 108 residues pruned to eliminate duplicates Z: 51 33.252 2.142 0.459 0.575 0.940 0.700 CB 1.490 51 residues pruned to eliminate duplicates Z: 90 37.520 2.075 0.484 0.529 0.899 0.607 CB 1.396 90 residues pruned to eliminate duplicates Z: 41 33.961 2.148 0.523 0.661 0.925 0.750 CB 1.528 41 residues pruned to eliminate duplicates Z: 49 35.087 2.162 0.531 0.592 0.917 0.688 CB 1.528 49 residues pruned to eliminate duplicates Z: 53 36.147 2.116 0.623 0.564 0.904 0.635 CB 1.517 53 residues pruned to eliminate duplicates Z: 91 47.805 2.142 0.561 0.604 0.911 0.656 CB 1.498 91 residues pruned to eliminate duplicates Z: 84 49.699 2.175 0.588 0.632 0.916 0.711 CB 1.524 84 residues pruned to eliminate duplicates Z: 46 36.511 2.180 0.717 0.605 0.867 0.578 CB 1.518 46 residues pruned to eliminate duplicates Z: 88 49.187 2.174 0.573 0.613 0.931 0.632 CB 1.488 88 residues pruned to eliminate duplicates Z: 80 35.745 2.062 0.570 0.495 0.886 0.544 CB 1.409 80 residues pruned to eliminate duplicates Z: 56 32.935 2.140 0.606 0.541 0.873 0.673 CB 1.423 56 residues pruned to eliminate duplicates Z: 47 36.835 2.149 0.689 0.600 0.913 0.674 CB 1.489 47 residues pruned to eliminate duplicates Z: 46 41.067 2.186 0.752 0.610 0.933 0.711 CB 1.543 46 residues pruned to eliminate duplicates Z: 47 37.629 2.155 0.722 0.587 0.913 0.522 CB 1.507 47 residues pruned to eliminate duplicates Z: 53 33.131 2.043 0.762 0.554 0.846 0.558 CB 1.432 53 residues pruned to eliminate duplicates Z: 110 57.032 2.171 0.656 0.590 0.936 0.550 CB 1.489 110 residues pruned to eliminate duplicates Z: 38 43.340 2.234 0.910 0.649 0.892 0.595 CB 1.630 38 residues pruned to eliminate duplicates Z: 37 37.152 2.160 0.694 0.682 0.917 0.417 CB 1.561 37 residues pruned to eliminate duplicates Z: 48 38.225 2.154 0.807 0.582 0.894 0.468 CB 1.481 48 residues pruned to eliminate duplicates Z: 81 40.933 2.076 0.703 0.536 0.900 0.538 CB 1.388 81 residues pruned to eliminate duplicates Z: 55 37.215 2.141 0.769 0.584 0.889 0.537 CB 1.387 55 residues pruned to eliminate duplicates Z: 94 54.849 2.190 0.707 0.605 0.935 0.602 CB 1.472 94 residues pruned to eliminate duplicates Z: 79 49.112 2.158 0.793 0.572 0.936 0.615 CB 1.433 245 residues pruned to eliminate duplicates Z: 49 40.488 2.165 0.793 0.600 0.917 0.479 CB 1.492 Z: 25 44.790 2.193 1.135 0.898 0.917 0.417 CB 1.523 25 residues pruned to eliminate duplicates Z: 89 40.124 2.072 0.634 0.540 0.875 0.500 CB 1.389 49 residues pruned to eliminate duplicates Z: 24 45.928 2.246 0.921 0.940 1.000 0.565 CB 1.541 24 residues pruned to eliminate duplicates Z: 70 45.453 2.100 0.704 0.658 0.913 0.594 CB 1.446 47 residues pruned to eliminate duplicates Z: 20 47.166 2.245 1.031 0.943 0.947 0.421 CB 1.737 20 residues pruned to eliminate duplicates Z: 41 42.167 2.169 0.938 0.642 0.925 0.475 CB 1.501 41 residues pruned to eliminate duplicates Z: 48 38.650 2.164 0.799 0.594 0.894 0.532 CB 1.482 48 residues pruned to eliminate duplicates Z: 17 10.629 1.778 0.630 0.397 0.812 0.375 CB 1.258 17 residues pruned to eliminate duplicates Z: 46 40.984 2.170 0.911 0.593 0.911 0.444 CB 1.479 46 residues pruned to eliminate duplicates Z: 51 36.241 2.088 0.808 0.557 0.920 0.400 CB 1.397 51 residues pruned to eliminate duplicates Z: 73 45.678 2.155 0.732 0.533 0.903 0.500 CB 1.547 73 residues pruned to eliminate duplicates Z: 50 41.693 2.165 0.870 0.601 0.898 0.429 CB 1.488 50 residues pruned to eliminate duplicates 404 residues left after pruning, divided into chains as follows: A: 10 B: 9 C: 249 D: 24 E: 112 CC for partial structure against native data = 40.60 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.519, Connect. = 0.736 for dens.mod. cycle 1 = 0.300, Contrast = 0.601, Connect. = 0.767 for dens.mod. cycle 2 = 0.300, Contrast = 0.724, Connect. = 0.796 for dens.mod. cycle 3 = 0.300, Contrast = 0.742, Connect. = 0.799 for dens.mod. cycle 4 = 0.300, Contrast = 0.759, Connect. = 0.800 for dens.mod. cycle 5 = 0.300, Contrast = 0.766, Connect. = 0.802 for dens.mod. cycle 6 = 0.300, Contrast = 0.773, Connect. = 0.803 for dens.mod. cycle 7 = 0.300, Contrast = 0.776, Connect. = 0.804 for dens.mod. cycle 8 = 0.300, Contrast = 0.779, Connect. = 0.805 for dens.mod. cycle 9 TimeTaking 233.6