++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 00:03:52 on 15 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: ./2ogi-1.9-parrot-noncs/2ogi-1.9-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2ogi-1.9-parrot-noncs/2ogi-1.9-parrot-noncs.ins Phases from ./2ogi-1.9-parrot-noncs/2ogi-1.9-parrot-noncs.phi Native data from ./2ogi-1.9-parrot-noncs/2ogi-1.9-parrot-noncs.hkl Listing output to ./2ogi-1.9-parrot-noncs/2ogi-1.9-parrot-noncs.lst Phases output to ./2ogi-1.9-parrot-noncs/2ogi-1.9-parrot-noncs.phs Poly-Ala trace output to ./2ogi-1.9-parrot-noncs/2ogi-1.9-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 21 1 Allowed origin shift code: 2 37459 Reflections read from file ./2ogi-1.9-parrot-noncs/2ogi-1.9-parrot-noncs.phi 37459 Reflections read from file ./2ogi-1.9-parrot-noncs/2ogi-1.9-parrot-noncs.hkl 37459 Unique data, highest resolution = 1.850 Angstroms Anisotropic scaling: intensities multiplied by 0.000095h^2 -0.000199k^2 +0.000139l^2 +0.000000kl +0.000196hl +0.000000hk 11 Reflections with d > 2.050 and 0 in range 2.050 > d > 1.850 added Density sharpening factor set to 0.98 Fourier grid = 128 x 128 x 57 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|> = 0.643 ** -f missing ?? ** = 0.300, Contrast = 0.447, Connect. = 0.760 for dens.mod. cycle 1 = 0.300, Contrast = 0.538, Connect. = 0.772 for dens.mod. cycle 2 = 0.300, Contrast = 0.649, Connect. = 0.792 for dens.mod. cycle 3 = 0.300, Contrast = 0.681, Connect. = 0.799 for dens.mod. cycle 4 = 0.300, Contrast = 0.700, Connect. = 0.802 for dens.mod. cycle 5 = 0.300, Contrast = 0.714, Connect. = 0.805 for dens.mod. cycle 6 = 0.300, Contrast = 0.723, Connect. = 0.806 for dens.mod. cycle 7 = 0.300, Contrast = 0.731, Connect. = 0.808 for dens.mod. cycle 8 = 0.300, Contrast = 0.736, Connect. = 0.809 for dens.mod. cycle 9 = 0.300, Contrast = 0.740, Connect. = 0.810 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1694 peaks > 0.5 sigma used to seed fragment search Space for about 486 unique residues taking solvent into account 430 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 60.744 2.394 1.330 0.937 0.950 0.850 CA 1.784 B: 20 62.021 2.403 1.316 0.946 0.947 0.789 CA 1.866 20 residues pruned to eliminate duplicates C: 21 50.432 2.318 1.389 0.864 0.900 0.800 CA 1.659 21 residues pruned to eliminate duplicates D: 16 27.030 2.171 0.676 0.842 0.867 0.667 CB 1.649 E: 19 62.218 2.458 1.224 0.947 1.000 0.889 CA 1.854 20 residues pruned to eliminate duplicates F: 20 53.420 2.424 1.029 0.929 0.947 0.895 CA 1.840 20 residues pruned to eliminate duplicates G: 24 46.219 2.071 1.179 0.939 1.000 0.609 CB 1.484 H: 13 29.122 2.156 0.836 0.849 0.917 0.833 CB 1.718 I: 20 53.109 2.401 1.030 0.918 1.000 0.895 CA 1.763 20 residues pruned to eliminate duplicates J: 14 39.478 2.351 1.332 0.902 0.846 0.769 CA 1.683 K: 20 60.933 2.380 1.291 0.926 1.000 0.789 CA 1.798 20 residues pruned to eliminate duplicates L: 13 25.468 2.098 1.102 0.893 0.917 0.750 CB 1.305 13 residues pruned to eliminate duplicates M: 19 58.640 2.445 1.080 0.941 1.000 0.667 CA 1.886 19 residues pruned to eliminate duplicates N: 15 23.324 1.957 0.806 0.835 0.929 0.786 CB 1.422 15 residues pruned to eliminate duplicates O: 21 58.290 2.358 1.252 0.929 1.000 0.800 CA 1.718 21 residues pruned to eliminate duplicates P: 19 56.120 2.342 1.276 0.948 1.000 0.833 CB 1.714 Q: 20 62.310 2.426 1.288 0.903 1.000 0.737 CA 1.835 20 residues pruned to eliminate duplicates R: 23 43.985 2.107 1.275 0.921 1.000 0.545 CB 1.377 23 residues pruned to eliminate duplicates S: 14 22.184 2.119 0.572 0.823 0.923 0.462 CB 1.512 14 residues pruned to eliminate duplicates T: 11 45.016 2.362 1.664 0.919 1.000 0.800 CB 1.594 10 residues pruned to eliminate duplicates U: 21 53.946 2.397 1.116 0.930 0.950 0.850 CA 1.751 21 residues pruned to eliminate duplicates V: 13 20.105 2.064 0.527 0.795 0.833 0.750 CA 1.706 13 residues pruned to eliminate duplicates W: 22 54.095 2.271 1.241 0.939 1.000 0.857 CA 1.612 21 residues pruned to eliminate duplicates X: 21 44.359 2.234 0.919 0.937 0.950 0.850 CB 1.695 21 residues pruned to eliminate duplicates Y: 16 30.835 2.290 0.725 0.935 0.867 0.800 CA 1.620 16 residues pruned to eliminate duplicates Z: 21 34.889 2.215 0.705 0.878 0.950 0.900 CB 1.578 21 residues pruned to eliminate duplicates Z: 14 28.295 2.176 0.722 0.918 1.000 0.846 CB 1.476 13 residues pruned to eliminate duplicates Z: 19 49.822 2.315 1.149 0.951 1.000 0.444 CB 1.627 19 residues pruned to eliminate duplicates Z: 6 8.611 1.723 1.318 0.517 0.800 0.600 C 1.185 Z: 22 37.584 2.178 0.884 0.933 0.952 0.619 CB 1.464 22 residues pruned to eliminate duplicates Z: 15 42.114 2.283 1.427 0.860 0.929 0.571 CA 1.608 15 residues pruned to eliminate duplicates Z: 21 61.983 2.386 1.411 0.889 0.950 0.700 CA 1.827 21 residues pruned to eliminate duplicates Z: 24 36.651 2.058 0.931 0.906 1.000 0.652 CB 1.367 24 residues pruned to eliminate duplicates Z: 20 56.004 2.323 1.157 0.937 1.000 0.789 CB 1.784 20 residues pruned to eliminate duplicates Z: 14 29.244 2.085 0.713 0.928 1.000 0.615 CA 1.590 Z: 20 53.897 2.327 1.125 0.941 1.000 0.842 CB 1.736 20 residues pruned to eliminate duplicates Z: 15 43.036 2.290 1.254 0.835 1.000 0.714 CA 1.670 16 residues pruned to eliminate duplicates Z: 15 39.592 2.318 1.248 0.892 0.929 0.857 CA 1.571 14 residues pruned to eliminate duplicates Z: 19 34.389 2.193 0.758 0.882 0.944 0.889 CB 1.611 19 residues pruned to eliminate duplicates Z: 20 38.266 2.167 0.757 0.931 1.000 0.895 CB 1.611 20 residues pruned to eliminate duplicates Z: 21 43.037 2.217 0.867 0.935 0.950 0.850 CB 1.705 20 residues pruned to eliminate duplicates Z: 16 29.124 2.129 0.731 0.883 1.000 0.867 CB 1.476 16 residues pruned to eliminate duplicates Z: 23 38.913 2.075 0.994 0.940 1.000 0.591 CB 1.393 23 residues pruned to eliminate duplicates Z: 15 28.370 2.101 0.697 0.899 1.000 0.786 CB 1.520 15 residues pruned to eliminate duplicates Z: 16 23.445 1.973 0.673 0.840 1.000 0.733 CA 1.370 16 residues pruned to eliminate duplicates Z: 17 27.666 2.092 0.718 0.859 0.938 0.688 CB 1.511 17 residues pruned to eliminate duplicates Z: 21 46.505 2.218 1.052 0.926 0.950 0.650 CB 1.687 21 residues pruned to eliminate duplicates Z: 11 25.356 2.229 0.432 0.886 1.000 0.700 CB 1.812 11 residues pruned to eliminate duplicates Z: 15 39.131 2.307 1.102 0.915 1.000 0.929 CA 1.524 15 residues pruned to eliminate duplicates Z: 22 42.377 2.127 1.083 0.906 0.952 0.524 CB 1.558 22 residues pruned to eliminate duplicates Z: 12 35.941 2.332 1.397 0.904 0.909 0.727 CB 1.519 12 residues pruned to eliminate duplicates Z: 14 41.881 2.341 1.148 0.915 1.000 0.769 CB 1.633 14 residues pruned to eliminate duplicates Z: 24 38.503 2.057 0.877 0.945 1.000 0.696 CB 1.439 24 residues pruned to eliminate duplicates Z: 23 31.617 2.102 0.635 0.886 1.000 0.864 CB 1.415 23 residues pruned to eliminate duplicates Z: 14 24.380 2.138 0.913 0.882 0.846 0.692 CB 1.414 Z: 12 29.809 2.306 0.821 0.922 1.000 0.909 CA 1.505 12 residues pruned to eliminate duplicates Z: 15 20.337 2.123 0.620 0.780 0.857 0.714 CB 1.440 Z: 15 22.333 1.949 0.694 0.899 1.000 0.571 CB 1.292 15 residues pruned to eliminate duplicates Z: 14 25.595 2.016 0.736 0.859 0.923 0.615 CA 1.617 13 residues pruned to eliminate duplicates Z: 13 26.647 2.170 0.660 0.916 1.000 0.833 CB 1.508 13 residues pruned to eliminate duplicates Z: 13 51.104 2.348 1.732 0.918 1.000 0.833 CB 1.622 13 residues pruned to eliminate duplicates Z: 13 23.463 2.134 0.798 0.911 0.833 0.667 CB 1.501 13 residues pruned to eliminate duplicates Z: 16 31.077 2.130 0.812 0.877 1.000 0.733 CB 1.510 16 residues pruned to eliminate duplicates Z: 18 20.430 2.053 0.482 0.660 1.000 0.706 CB 1.403 14 residues pruned to eliminate duplicates Z: 21 42.190 2.209 1.132 0.902 0.900 0.650 CB 1.588 21 residues pruned to eliminate duplicates Z: 9 16.744 2.005 0.698 0.781 1.000 0.625 CA 1.358 9 residues pruned to eliminate duplicates Z: 21 45.060 2.194 1.149 0.897 0.950 0.700 CB 1.610 21 residues pruned to eliminate duplicates Z: 13 24.429 1.976 0.648 0.892 1.000 0.417 CB 1.556 13 residues pruned to eliminate duplicates Z: 16 21.020 2.108 0.625 0.708 1.000 0.733 CB 1.312 16 residues pruned to eliminate duplicates Z: 11 24.938 2.239 0.853 0.912 1.000 0.800 CB 1.346 11 residues pruned to eliminate duplicates Z: 20 71.587 2.446 1.452 0.936 1.000 0.789 CA 1.907 21 residues pruned to eliminate duplicates Z: 21 43.330 2.210 0.903 0.929 1.000 0.700 CB 1.612 21 residues pruned to eliminate duplicates Z: 15 24.435 2.083 0.900 0.890 0.857 0.786 CA 1.385 15 residues pruned to eliminate duplicates Z: 21 31.669 2.100 0.456 0.942 1.000 1.000 CA 1.606 21 residues pruned to eliminate duplicates Z: 15 20.994 2.057 0.627 0.865 0.929 0.714 CA 1.323 14 residues pruned to eliminate duplicates Z: 20 46.492 2.298 0.857 0.917 1.000 0.895 CA 1.763 20 residues pruned to eliminate duplicates Z: 16 29.301 2.151 0.860 0.880 0.933 0.667 CB 1.468 16 residues pruned to eliminate duplicates Z: 15 18.903 2.042 0.516 0.872 0.929 0.643 CA 1.281 15 residues pruned to eliminate duplicates Z: 13 23.832 2.020 0.864 0.890 1.000 0.667 CA 1.315 13 residues pruned to eliminate duplicates Z: 61 44.115 2.019 0.789 0.667 0.967 0.650 CB 1.397 43 residues pruned to eliminate duplicates Z: 21 52.463 2.375 1.189 0.881 0.950 0.800 CA 1.720 21 residues pruned to eliminate duplicates Z: 13 29.227 2.137 1.015 0.921 1.000 0.833 CB 1.379 13 residues pruned to eliminate duplicates Z: 13 24.422 2.038 0.578 0.834 1.000 0.917 CA 1.643 Z: 14 25.984 1.969 0.582 0.920 1.000 0.692 CA 1.629 14 residues pruned to eliminate duplicates Z: 16 33.013 2.239 0.867 0.869 1.000 0.733 CB 1.489 16 residues pruned to eliminate duplicates Z: 17 22.489 2.006 0.702 0.818 0.812 0.562 CB 1.538 15 residues pruned to eliminate duplicates Z: 15 24.344 2.084 0.633 0.845 1.000 0.786 CB 1.421 14 residues pruned to eliminate duplicates Z: 12 20.185 1.986 0.711 0.814 1.000 0.727 CB 1.363 Z: 16 29.478 2.148 0.807 0.883 1.000 0.667 CB 1.419 16 residues pruned to eliminate duplicates Z: 12 14.975 1.830 0.610 0.785 0.909 0.636 CB 1.312 12 residues pruned to eliminate duplicates Z: 11 20.317 2.141 0.779 0.810 0.800 0.300 CB 1.610 11 residues pruned to eliminate duplicates Z: 13 33.903 2.168 1.286 0.924 1.000 0.833 CB 1.386 15 residues pruned to eliminate duplicates Z: 7 10.482 2.059 0.775 0.786 0.833 0.667 CB 1.093 Z: 18 19.289 2.065 0.518 0.671 0.882 0.647 CB 1.445 18 residues pruned to eliminate duplicates Z: 15 37.532 2.288 1.246 0.877 0.929 0.857 CA 1.526 15 residues pruned to eliminate duplicates Z: 22 44.087 2.197 0.930 0.940 1.000 0.619 CB 1.576 22 residues pruned to eliminate duplicates Z: 18 39.884 2.169 1.027 0.946 0.941 0.824 CB 1.616 18 residues pruned to eliminate duplicates Z: 14 24.702 2.130 0.649 0.876 0.923 0.769 CB 1.536 14 residues pruned to eliminate duplicates Z: 14 22.437 2.078 1.068 0.862 0.846 0.615 CB 1.257 14 residues pruned to eliminate duplicates Z: 13 32.462 2.198 0.802 0.930 1.000 0.833 CA 1.655 13 residues pruned to eliminate duplicates Z: 22 31.375 2.170 0.418 0.955 1.000 0.857 CB 1.528 22 residues pruned to eliminate duplicates Z: 12 19.436 1.960 0.557 0.832 0.909 0.909 CA 1.585 12 residues pruned to eliminate duplicates Z: 22 28.781 2.098 0.460 0.906 0.952 0.857 CA 1.531 22 residues pruned to eliminate duplicates Z: 24 27.736 2.061 0.636 0.911 0.913 0.652 CB 1.332 24 residues pruned to eliminate duplicates Z: 16 43.594 2.222 1.709 0.846 0.933 0.800 CB 1.489 16 residues pruned to eliminate duplicates Z: 15 21.279 2.086 0.775 0.847 0.857 0.786 CA 1.330 15 residues pruned to eliminate duplicates Z: 15 24.491 2.061 0.584 0.812 1.000 0.714 CB 1.529 14 residues pruned to eliminate duplicates Z: 13 16.667 1.936 0.470 0.831 0.917 0.500 CA 1.386 12 residues pruned to eliminate duplicates Z: 11 9.783 1.631 0.486 0.905 0.900 0.800 CB 1.009 Z: 10 13.793 2.013 0.766 0.899 0.667 0.444 CB 1.387 10 residues pruned to eliminate duplicates Z: 18 17.539 2.055 0.338 0.764 0.882 0.706 CB 1.387 18 residues pruned to eliminate duplicates Z: 16 31.214 1.992 0.873 0.886 1.000 0.600 CB 1.559 16 residues pruned to eliminate duplicates Z: 21 43.397 2.163 1.146 0.939 1.000 0.450 CB 1.453 21 residues pruned to eliminate duplicates Z: 54 25.355 1.911 0.526 0.588 0.906 0.660 CB 1.212 33 residues pruned to eliminate duplicates Z: 14 18.576 1.985 0.381 0.832 0.923 0.769 CA 1.528 14 residues pruned to eliminate duplicates Z: 16 27.949 2.134 0.755 0.890 0.933 0.667 CB 1.485 16 residues pruned to eliminate duplicates Z: 22 32.861 2.141 0.725 0.882 0.952 0.762 CB 1.476 22 residues pruned to eliminate duplicates Z: 16 12.385 1.876 0.412 0.714 0.867 0.733 CB 1.147 Z: 16 29.687 2.115 1.005 0.909 1.000 0.667 CB 1.283 16 residues pruned to eliminate duplicates Z: 12 14.641 1.955 0.162 0.830 1.000 0.727 CB 1.461 12 residues pruned to eliminate duplicates Z: 20 63.364 2.381 1.366 0.945 1.000 0.316 CB 1.785 20 residues pruned to eliminate duplicates Z: 9 16.102 2.039 0.358 0.835 1.000 0.750 CA 1.539 9 residues pruned to eliminate duplicates Z: 13 23.466 2.164 0.956 0.857 0.833 0.750 CB 1.416 13 residues pruned to eliminate duplicates Z: 14 31.460 2.268 0.822 0.860 1.000 0.615 CB 1.552 15 residues pruned to eliminate duplicates Z: 15 26.226 2.071 0.633 0.867 0.929 0.786 CA 1.632 16 residues pruned to eliminate duplicates Z: 11 27.050 2.231 0.652 0.874 1.000 0.600 CB 1.690 12 residues pruned to eliminate duplicates Z: 16 27.375 1.987 0.821 0.833 1.000 0.667 CB 1.466 16 residues pruned to eliminate duplicates Z: 14 17.912 1.887 0.368 0.791 1.000 0.692 CA 1.491 14 residues pruned to eliminate duplicates Z: 21 27.047 1.841 1.012 0.955 1.000 0.650 CB 1.122 Z: 15 20.063 1.969 0.556 0.862 1.000 0.714 CB 1.285 7 residues pruned to eliminate duplicates Z: 18 21.501 2.054 0.616 0.692 0.882 0.588 CB 1.494 18 residues pruned to eliminate duplicates Z: 18 15.950 1.888 0.294 0.783 0.941 0.647 CB 1.311 15 residues pruned to eliminate duplicates Z: 13 18.605 1.961 0.418 0.831 1.000 0.583 CB 1.451 13 residues pruned to eliminate duplicates Z: 15 28.809 2.083 1.056 0.880 0.929 0.786 CA 1.403 15 residues pruned to eliminate duplicates Z: 21 31.572 2.075 1.053 0.691 1.000 0.700 CA 1.392 17 residues pruned to eliminate duplicates Z: 13 16.905 1.858 0.493 0.782 1.000 0.583 CB 1.371 13 residues pruned to eliminate duplicates Z: 21 38.586 2.200 0.627 0.941 1.000 0.950 CB 1.673 21 residues pruned to eliminate duplicates Z: 21 26.521 1.841 0.883 0.950 1.000 0.550 CB 1.180 21 residues pruned to eliminate duplicates Z: 13 16.851 1.977 0.399 0.758 1.000 0.500 CB 1.398 13 residues pruned to eliminate duplicates Z: 15 29.525 2.084 0.742 0.896 0.929 0.571 CB 1.677 15 residues pruned to eliminate duplicates Z: 17 15.728 1.854 0.645 0.884 0.938 0.625 CB 0.994 17 residues pruned to eliminate duplicates Z: 11 13.697 1.778 0.522 0.871 1.000 0.900 CB 1.168 11 residues pruned to eliminate duplicates Z: 13 15.722 1.942 0.375 0.818 0.917 0.667 CB 1.407 13 residues pruned to eliminate duplicates Z: 14 23.716 2.004 0.555 0.838 1.000 0.769 CB 1.578 14 residues pruned to eliminate duplicates Z: 12 38.166 2.294 1.431 0.880 1.000 0.727 CA 1.496 12 residues pruned to eliminate duplicates Z: 49 51.621 2.099 0.998 0.808 0.958 0.500 CB 1.418 46 residues pruned to eliminate duplicates Z: 22 18.397 1.790 0.376 0.897 1.000 0.952 CB 1.166 22 residues pruned to eliminate duplicates Z: 16 13.754 1.832 0.463 0.768 0.933 0.400 CB 1.120 16 residues pruned to eliminate duplicates Z: 17 24.490 2.038 0.720 0.853 0.875 0.625 CB 1.475 17 residues pruned to eliminate duplicates Z: 16 14.169 1.879 0.190 0.743 1.000 0.667 CB 1.316 16 residues pruned to eliminate duplicates Z: 21 25.388 1.855 0.821 0.946 1.000 0.650 CB 1.163 21 residues pruned to eliminate duplicates Z: 22 34.295 2.117 0.903 0.920 0.905 0.524 CB 1.447 22 residues pruned to eliminate duplicates Z: 17 21.959 2.062 0.507 0.783 0.938 0.812 CB 1.469 17 residues pruned to eliminate duplicates Z: 15 45.845 2.296 1.304 0.906 1.000 0.857 CB 1.648 15 residues pruned to eliminate duplicates Z: 19 21.616 1.819 0.865 0.923 0.889 0.500 CB 1.187 19 residues pruned to eliminate duplicates Z: 13 9.668 1.850 0.335 0.754 0.917 0.750 CB 0.983 13 residues pruned to eliminate duplicates Z: 11 18.517 1.898 0.638 0.906 1.000 0.800 CB 1.341 11 residues pruned to eliminate duplicates Z: 18 20.990 2.060 0.636 0.676 0.882 0.529 CB 1.456 18 residues pruned to eliminate duplicates Z: 12 21.234 1.987 0.504 0.872 1.000 0.818 CB 1.562 12 residues pruned to eliminate duplicates Z: 14 18.549 2.080 0.222 0.926 1.000 1.000 CB 1.420 14 residues pruned to eliminate duplicates Z: 15 30.315 1.966 1.148 0.934 1.000 0.857 CB 1.338 15 residues pruned to eliminate duplicates Z: 15 26.660 2.090 1.006 0.894 0.929 0.786 CA 1.312 15 residues pruned to eliminate duplicates Z: 15 22.765 2.012 0.693 0.847 0.929 0.786 CB 1.428 15 residues pruned to eliminate duplicates Z: 16 12.990 1.941 0.517 0.605 0.867 0.667 CB 1.190 16 residues pruned to eliminate duplicates Z: 14 18.644 1.968 0.493 0.797 0.923 0.769 CB 1.470 14 residues pruned to eliminate duplicates Z: 23 27.400 2.120 0.310 0.923 1.000 0.864 CB 1.479 23 residues pruned to eliminate duplicates Z: 13 23.472 2.065 0.705 0.900 0.917 0.750 CB 1.500 13 residues pruned to eliminate duplicates Z: 11 13.499 1.747 0.739 0.932 1.000 0.500 CB 0.981 8 residues pruned to eliminate duplicates Z: 20 63.531 2.389 1.380 0.958 1.000 0.842 CA 1.757 20 residues pruned to eliminate duplicates Z: 15 10.949 1.850 0.375 0.759 0.857 0.429 CB 1.066 10 residues pruned to eliminate duplicates Z: 13 21.928 2.135 0.972 0.880 0.750 0.667 CB 1.453 13 residues pruned to eliminate duplicates Z: 53 67.021 2.292 0.997 0.786 0.942 0.635 CB 1.675 50 residues pruned to eliminate duplicates Z: 7 4.871 1.610 0.113 0.745 1.000 0.500 CB 0.891 Z: 23 41.484 2.078 1.065 0.949 1.000 0.545 CB 1.422 23 residues pruned to eliminate duplicates Z: 14 30.101 2.166 1.063 0.901 0.923 0.769 CB 1.445 14 residues pruned to eliminate duplicates Z: 16 14.113 1.797 0.405 0.828 0.867 0.333 CB 1.254 17 residues pruned to eliminate duplicates Z: 14 16.170 1.949 0.602 0.879 0.923 0.769 CB 1.129 14 residues pruned to eliminate duplicates Z: 10 7.745 1.637 0.216 0.856 0.889 0.889 CB 1.076 10 residues pruned to eliminate duplicates Z: 45 57.621 2.193 0.957 0.818 1.000 0.727 CB 1.536 49 residues pruned to eliminate duplicates Z: 20 19.862 1.839 0.627 0.906 1.000 0.895 CB 1.084 20 residues pruned to eliminate duplicates Z: 16 17.939 1.944 0.825 0.691 0.867 0.733 CB 1.265 16 residues pruned to eliminate duplicates Z: 19 17.680 1.990 0.484 0.721 0.833 0.722 CB 1.386 19 residues pruned to eliminate duplicates Z: 15 20.537 1.937 0.497 0.875 0.929 0.714 CB 1.482 15 residues pruned to eliminate duplicates Z: 9 14.807 1.845 0.671 0.884 1.000 0.875 CB 1.227 Z: 11 9.331 1.672 0.208 0.909 1.000 0.900 CB 1.037 11 residues pruned to eliminate duplicates Z: 14 17.352 2.103 0.436 0.808 0.846 0.692 CB 1.440 14 residues pruned to eliminate duplicates Z: 10 6.421 1.616 0.646 0.310 0.778 0.556 CB 1.277 Z: 15 23.130 1.912 0.895 0.820 1.000 0.714 CB 1.293 15 residues pruned to eliminate duplicates Z: 13 21.709 1.974 0.535 0.817 1.000 0.833 CB 1.571 13 residues pruned to eliminate duplicates Z: 12 13.109 1.808 0.470 0.795 0.909 0.818 CB 1.263 12 residues pruned to eliminate duplicates Z: 10 11.150 1.884 0.455 0.883 1.000 0.889 CB 0.980 10 residues pruned to eliminate duplicates Z: 18 14.184 1.899 0.308 0.745 0.882 0.647 CB 1.260 18 residues pruned to eliminate duplicates Z: 20 24.006 1.828 0.928 0.938 1.000 0.684 CB 1.086 20 residues pruned to eliminate duplicates Z: 8 7.605 1.690 0.336 0.837 0.857 0.429 CA 1.111 9 residues pruned to eliminate duplicates Z: 20 25.249 1.892 0.997 0.942 0.947 0.368 CB 1.122 20 residues pruned to eliminate duplicates Z: 6 8.489 1.789 0.414 0.785 0.800 0.600 CB 1.460 6 residues pruned to eliminate duplicates Z: 10 13.367 1.721 0.379 0.903 1.000 1.000 CB 1.339 10 residues pruned to eliminate duplicates Z: 12 19.810 2.020 0.435 0.822 1.000 0.818 CB 1.559 12 residues pruned to eliminate duplicates Z: 9 10.780 1.747 0.298 0.892 1.000 0.875 CB 1.208 9 residues pruned to eliminate duplicates Z: 22 32.330 2.143 0.530 0.928 1.000 1.000 CB 1.506 22 residues pruned to eliminate duplicates Z: 10 11.106 1.666 0.646 0.889 0.889 0.778 CB 1.094 Z: 12 12.399 1.636 0.371 0.868 1.000 0.455 CB 1.218 10 residues pruned to eliminate duplicates Z: 21 57.981 2.333 1.303 0.944 1.000 0.850 CA 1.671 21 residues pruned to eliminate duplicates Z: 23 29.169 2.098 0.399 0.948 1.000 0.955 CB 1.463 23 residues pruned to eliminate duplicates Z: 9 9.623 1.607 0.363 0.899 1.000 0.875 CB 1.110 9 residues pruned to eliminate duplicates Z: 8 10.773 1.723 0.519 0.881 1.000 0.571 CB 1.127 8 residues pruned to eliminate duplicates Z: 13 18.645 2.108 0.395 0.812 0.917 0.917 CB 1.521 13 residues pruned to eliminate duplicates Z: 14 26.860 1.961 0.714 0.892 1.000 0.846 CA 1.593 14 residues pruned to eliminate duplicates Z: 21 25.497 2.073 1.165 0.673 0.800 0.400 CA 1.353 21 residues pruned to eliminate duplicates Z: 10 13.152 1.779 0.638 0.911 0.889 0.889 CB 1.200 10 residues pruned to eliminate duplicates Z: 39 40.587 1.994 0.899 0.790 0.947 0.711 CB 1.423 39 residues pruned to eliminate duplicates Z: 11 15.763 1.753 0.831 0.907 1.000 0.800 CB 1.104 11 residues pruned to eliminate duplicates Z: 10 10.640 1.670 0.633 0.914 0.889 0.667 CB 1.034 9 residues pruned to eliminate duplicates Z: 23 42.079 2.065 0.978 0.947 1.000 0.773 CA 1.517 23 residues pruned to eliminate duplicates Z: 21 25.915 2.027 0.501 0.921 0.950 0.950 CA 1.410 21 residues pruned to eliminate duplicates Z: 9 11.967 1.819 0.456 0.922 1.000 0.750 CB 1.124 9 residues pruned to eliminate duplicates Z: 19 15.931 1.856 0.436 0.874 0.944 0.667 CB 1.086 19 residues pruned to eliminate duplicates Z: 34 16.650 1.730 0.471 0.640 0.909 0.667 CB 1.099 27 residues pruned to eliminate duplicates Z: 9 10.959 1.861 0.595 0.775 0.875 0.375 CB 1.170 8 residues pruned to eliminate duplicates Z: 16 26.618 2.036 0.918 0.857 0.933 0.600 CB 1.389 16 residues pruned to eliminate duplicates Z: 11 20.979 2.124 0.713 0.824 0.900 0.900 CB 1.531 11 residues pruned to eliminate duplicates Z: 7 4.004 1.783 0.112 0.517 0.667 0.500 CB 1.216 7 residues pruned to eliminate duplicates Z: 11 11.493 1.567 0.414 0.918 1.000 0.900 CB 1.156 10 residues pruned to eliminate duplicates Z: 26 42.997 2.062 1.098 0.728 0.960 0.480 CB 1.687 26 residues pruned to eliminate duplicates Z: 11 12.430 1.716 0.667 0.890 1.000 0.700 CB 0.989 11 residues pruned to eliminate duplicates Z: 16 11.759 1.706 0.329 0.778 1.000 0.600 CB 1.048 16 residues pruned to eliminate duplicates Z: 11 10.935 1.680 0.269 0.857 1.000 0.800 CB 1.195 11 residues pruned to eliminate duplicates Z: 41 35.835 2.170 0.819 0.534 0.900 0.675 CB 1.542 43 residues pruned to eliminate duplicates Z: 17 22.393 1.927 0.423 0.879 1.000 0.750 CA 1.481 17 residues pruned to eliminate duplicates Z: 17 15.316 1.872 0.299 0.913 1.000 0.938 CB 1.114 17 residues pruned to eliminate duplicates Z: 12 13.104 1.809 0.155 0.881 1.000 0.909 CB 1.369 12 residues pruned to eliminate duplicates Z: 18 23.147 1.868 1.047 0.934 0.941 0.706 CB 1.088 18 residues pruned to eliminate duplicates Z: 18 20.623 1.787 0.909 0.891 0.941 0.706 CB 1.120 18 residues pruned to eliminate duplicates Z: 54 44.058 2.094 0.825 0.697 0.943 0.528 CB 1.401 54 residues pruned to eliminate duplicates Z: 13 25.194 2.108 0.918 0.904 0.833 0.583 CB 1.537 13 residues pruned to eliminate duplicates Z: 13 22.533 2.188 0.581 0.813 0.917 0.250 CB 1.563 13 residues pruned to eliminate duplicates Z: 13 22.686 1.993 0.730 0.806 1.000 0.583 CB 1.454 13 residues pruned to eliminate duplicates Z: 10 14.038 1.665 0.794 0.922 1.000 0.778 CB 1.101 10 residues pruned to eliminate duplicates Z: 54 74.027 2.288 1.062 0.767 0.962 0.698 CB 1.768 54 residues pruned to eliminate duplicates Z: 6 4.014 1.577 0.372 0.450 0.800 0.400 O 1.092 Z: 18 20.630 2.048 0.405 0.729 0.941 0.824 CB 1.503 18 residues pruned to eliminate duplicates Z: 12 12.489 1.567 0.544 0.851 1.000 0.818 CB 1.152 12 residues pruned to eliminate duplicates Z: 15 20.015 2.061 0.460 0.852 0.929 0.786 CA 1.416 15 residues pruned to eliminate duplicates Z: 13 7.839 1.498 0.261 0.747 1.000 0.667 CB 0.961 13 residues pruned to eliminate duplicates Z: 35 39.694 2.092 1.119 0.739 0.882 0.471 CB 1.405 35 residues pruned to eliminate duplicates Z: 8 10.327 1.981 0.610 0.424 0.857 0.571 CB 1.546 8 residues pruned to eliminate duplicates Z: 15 27.418 2.097 0.681 0.868 1.000 0.857 CA 1.519 15 residues pruned to eliminate duplicates Z: 9 10.026 1.785 0.299 0.901 1.000 0.875 CB 1.091 9 residues pruned to eliminate duplicates Z: 7 5.021 1.751 0.176 0.758 0.667 0.500 CA 1.187 7 residues pruned to eliminate duplicates Z: 10 14.771 1.704 0.978 0.903 1.000 0.667 CB 1.041 10 residues pruned to eliminate duplicates Z: 7 11.331 1.827 0.792 0.564 1.000 0.667 CB 1.328 7 residues pruned to eliminate duplicates Z: 7 8.877 1.690 0.338 0.883 1.000 1.000 CB 1.158 6 residues pruned to eliminate duplicates Z: 9 13.212 1.819 0.469 0.917 1.000 1.000 CB 1.233 9 residues pruned to eliminate duplicates Z: 18 20.142 1.824 0.633 0.871 0.941 0.647 CB 1.271 18 residues pruned to eliminate duplicates Z: 22 25.042 1.848 1.047 0.926 0.905 0.381 CB 1.120 21 residues pruned to eliminate duplicates Z: 11 8.240 1.619 0.176 0.862 0.900 0.700 CB 1.116 11 residues pruned to eliminate duplicates Z: 9 8.980 1.948 0.444 0.699 0.875 0.500 CB 1.076 9 residues pruned to eliminate duplicates Z: 10 9.130 1.895 0.171 0.895 1.000 0.778 CB 0.983 10 residues pruned to eliminate duplicates Z: 11 9.347 1.591 0.338 0.874 0.900 0.700 CB 1.123 11 residues pruned to eliminate duplicates Z: 24 19.220 2.026 0.744 0.559 0.826 0.652 CB 1.297 24 residues pruned to eliminate duplicates Z: 10 9.560 1.563 0.721 0.894 1.000 0.667 CB 0.849 10 residues pruned to eliminate duplicates Z: 10 9.660 1.633 0.217 0.910 1.000 0.889 CB 1.150 10 residues pruned to eliminate duplicates Z: 12 27.459 2.132 0.915 0.891 1.000 0.727 CA 1.458 12 residues pruned to eliminate duplicates Z: 60 46.020 2.036 0.809 0.691 0.966 0.678 CB 1.413 60 residues pruned to eliminate duplicates Z: 7 10.019 1.686 0.403 0.845 1.000 0.667 CA 1.286 7 residues pruned to eliminate duplicates Z: 10 11.133 1.756 0.264 0.907 1.000 0.889 CB 1.188 10 residues pruned to eliminate duplicates Z: 18 43.263 2.241 1.350 0.851 0.941 0.588 CA 1.566 18 residues pruned to eliminate duplicates Z: 16 28.568 2.103 0.842 0.852 0.933 0.800 CB 1.509 16 residues pruned to eliminate duplicates Z: 16 23.260 2.017 0.670 0.805 0.933 0.733 CA 1.464 16 residues pruned to eliminate duplicates Z: 10 12.893 1.634 0.701 0.917 1.000 1.000 CB 1.091 10 residues pruned to eliminate duplicates Z: 11 9.975 1.760 0.346 0.867 0.800 0.500 CB 1.218 11 residues pruned to eliminate duplicates Z: 23 32.599 2.060 0.820 0.909 1.000 0.591 CB 1.315 23 residues pruned to eliminate duplicates Z: 15 6.915 1.845 0.462 0.667 0.643 0.500 CB 0.914 15 residues pruned to eliminate duplicates Z: 19 20.340 1.907 0.699 0.914 0.944 0.722 CB 1.108 19 residues pruned to eliminate duplicates Z: 9 12.763 1.630 0.916 0.895 1.000 0.625 CB 1.035 9 residues pruned to eliminate duplicates Z: 52 40.549 1.938 0.813 0.742 0.922 0.549 CB 1.412 52 residues pruned to eliminate duplicates Z: 8 14.613 1.782 0.620 0.835 1.000 1.000 CA 1.434 8 residues pruned to eliminate duplicates Z: 11 12.593 1.685 0.520 0.869 1.000 0.900 CB 1.136 11 residues pruned to eliminate duplicates Z: 14 15.485 2.001 0.304 0.844 1.000 0.846 CB 1.225 14 residues pruned to eliminate duplicates Z: 9 4.863 1.773 0.179 0.629 0.750 0.375 CB 0.971 9 residues pruned to eliminate duplicates Z: 6 6.649 1.594 0.228 0.808 1.000 0.600 CB 1.161 Z: 18 14.843 1.856 0.324 0.767 1.000 0.529 CB 1.156 18 residues pruned to eliminate duplicates Z: 12 15.394 1.643 0.644 0.897 1.000 0.636 CB 1.229 12 residues pruned to eliminate duplicates Z: 12 28.565 2.226 0.795 0.908 0.909 0.364 CB 1.684 12 residues pruned to eliminate duplicates Z: 7 2.371 1.325 0.428 0.330 0.667 0.667 O 0.924 Z: 11 11.987 1.724 0.828 0.905 0.900 0.800 CB 0.951 11 residues pruned to eliminate duplicates Z: 18 23.032 1.855 1.364 0.931 0.824 0.412 CB 1.081 18 residues pruned to eliminate duplicates Z: 11 12.423 1.696 0.426 0.895 1.000 0.700 CB 1.165 11 residues pruned to eliminate duplicates Z: 24 34.132 2.084 0.718 0.876 1.000 0.739 CB 1.445 24 residues pruned to eliminate duplicates Z: 38 46.477 2.124 1.070 0.736 1.000 0.568 CB 1.406 40 residues pruned to eliminate duplicates Z: 8 8.238 1.868 0.324 0.889 0.714 0.714 CB 1.269 8 residues pruned to eliminate duplicates Z: 13 16.017 1.943 0.282 0.836 1.000 0.750 CB 1.390 13 residues pruned to eliminate duplicates Z: 21 27.491 1.855 1.167 0.941 0.950 0.350 CB 1.116 22 residues pruned to eliminate duplicates Z: 8 6.346 1.803 0.634 0.417 0.857 0.286 CB 1.036 8 residues pruned to eliminate duplicates Z: 18 22.106 1.841 0.916 0.898 0.941 0.647 CB 1.156 18 residues pruned to eliminate duplicates Z: 13 16.998 1.775 0.645 0.761 1.000 0.667 CA 1.333 13 residues pruned to eliminate duplicates Z: 9 12.496 2.047 0.427 0.786 1.000 0.625 CB 1.176 9 residues pruned to eliminate duplicates Z: 13 12.467 1.514 0.560 0.892 1.000 0.583 CB 1.094 13 residues pruned to eliminate duplicates Z: 6 4.553 1.231 0.550 0.780 0.800 0.600 CA 1.042 6 residues pruned to eliminate duplicates Z: 6 7.440 1.557 0.772 0.792 1.000 0.800 CB 0.933 6 residues pruned to eliminate duplicates Z: 11 8.793 1.632 0.068 0.923 1.000 1.000 CB 1.121 11 residues pruned to eliminate duplicates Z: 33 38.769 1.943 1.060 0.802 0.969 0.531 CB 1.358 34 residues pruned to eliminate duplicates Z: 73 81.926 2.316 1.186 0.686 0.958 0.681 CB 1.677 72 residues pruned to eliminate duplicates Z: 15 31.383 2.232 1.131 0.841 1.000 0.786 CA 1.316 15 residues pruned to eliminate duplicates Z: 22 33.195 2.108 0.646 0.935 0.952 0.714 CB 1.527 22 residues pruned to eliminate duplicates Z: 11 10.059 1.655 0.189 0.891 1.000 1.000 CB 1.162 11 residues pruned to eliminate duplicates Z: 41 49.027 2.177 0.831 0.709 0.975 0.800 CA 1.650 41 residues pruned to eliminate duplicates Z: 12 10.153 1.646 0.259 0.910 1.000 0.909 CB 1.047 9 residues pruned to eliminate duplicates Z: 9 12.260 1.669 0.745 0.922 1.000 0.500 CB 1.047 9 residues pruned to eliminate duplicates Z: 13 12.498 1.810 0.582 0.901 1.000 0.833 CB 0.900 13 residues pruned to eliminate duplicates Z: 50 67.983 2.302 1.141 0.679 0.939 0.653 CB 1.781 52 residues pruned to eliminate duplicates Z: 13 18.402 1.927 0.620 0.831 1.000 0.333 CB 1.279 13 residues pruned to eliminate duplicates Z: 16 21.455 2.079 0.571 0.906 0.867 0.867 CB 1.391 16 residues pruned to eliminate duplicates Z: 22 19.656 1.713 0.445 0.745 1.000 0.810 CA 1.392 21 residues pruned to eliminate duplicates Z: 23 34.601 2.095 0.762 0.921 0.955 0.727 CB 1.474 23 residues pruned to eliminate duplicates Z: 12 12.853 1.613 0.533 0.893 1.000 0.727 CB 1.125 12 residues pruned to eliminate duplicates Z: 43 63.513 2.268 1.256 0.736 0.952 0.333 CB 1.627 43 residues pruned to eliminate duplicates Z: 9 3.995 1.467 0.526 0.269 0.875 0.875 CB 0.938 8 residues pruned to eliminate duplicates Z: 12 12.745 1.558 0.659 0.883 1.000 0.818 CB 1.075 12 residues pruned to eliminate duplicates Z: 9 8.185 1.962 0.228 0.719 1.000 0.750 CB 0.986 9 residues pruned to eliminate duplicates Z: 15 16.416 1.787 0.550 0.803 1.000 0.857 CB 1.216 15 residues pruned to eliminate duplicates Z: 14 22.264 2.057 0.831 0.910 0.846 0.769 CA 1.373 14 residues pruned to eliminate duplicates Z: 30 41.322 1.997 0.985 0.811 1.000 0.759 CB 1.477 30 residues pruned to eliminate duplicates Z: 35 30.916 2.012 0.942 0.591 0.882 0.471 CB 1.409 34 residues pruned to eliminate duplicates Z: 9 9.618 1.813 0.529 0.857 0.750 0.750 CB 1.205 9 residues pruned to eliminate duplicates Z: 11 9.859 1.623 0.330 0.858 1.000 0.700 CB 1.064 11 residues pruned to eliminate duplicates Z: 8 8.087 1.820 0.112 0.895 1.000 0.857 CB 1.083 8 residues pruned to eliminate duplicates Z: 17 17.189 1.844 0.471 0.809 1.000 0.562 CB 1.211 17 residues pruned to eliminate duplicates Z: 7 4.612 1.495 0.100 0.766 0.833 0.667 CB 1.084 Z: 6 13.235 1.854 0.932 0.776 1.000 0.800 CA 1.295 6 residues pruned to eliminate duplicates Z: 7 7.562 1.671 0.374 0.812 1.000 0.667 CB 1.025 8 residues pruned to eliminate duplicates 349 residues left after pruning, divided into chains as follows: A: 53 B: 31 C: 17 D: 6 E: 48 F: 65 G: 90 H: 7 I: 32 CC for partial structure against native data = 39.38 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.491, Connect. = 0.756 for dens.mod. cycle 1 = 0.300, Contrast = 0.564, Connect. = 0.781 for dens.mod. cycle 2 = 0.300, Contrast = 0.683, Connect. = 0.805 for dens.mod. cycle 3 = 0.300, Contrast = 0.696, Connect. = 0.806 for dens.mod. cycle 4 = 0.300, Contrast = 0.712, Connect. = 0.808 for dens.mod. cycle 5 = 0.300, Contrast = 0.720, Connect. = 0.809 for dens.mod. cycle 6 = 0.300, Contrast = 0.727, Connect. = 0.810 for dens.mod. cycle 7 = 0.300, Contrast = 0.732, Connect. = 0.811 for dens.mod. cycle 8 = 0.300, Contrast = 0.737, Connect. = 0.812 for dens.mod. cycle 9 = 0.300, Contrast = 0.739, Connect. = 0.812 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1797 peaks > 0.5 sigma used to seed fragment search Space for about 486 unique residues taking solvent into account 432 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 69.418 2.563 1.208 0.923 1.000 0.684 CA 1.977 B: 21 69.550 2.504 1.377 0.917 0.950 0.750 CA 1.940 20 residues pruned to eliminate duplicates C: 22 52.110 2.401 1.096 0.902 0.952 0.762 CA 1.693 22 residues pruned to eliminate duplicates D: 21 56.445 2.435 1.129 0.906 0.950 0.800 CA 1.822 21 residues pruned to eliminate duplicates E: 20 65.375 2.538 1.228 0.940 0.947 0.842 CA 1.944 20 residues pruned to eliminate duplicates F: 13 32.740 2.262 0.678 0.827 1.000 0.583 CB 1.875 G: 12 27.412 2.286 0.675 0.847 0.909 0.455 CB 1.763 12 residues pruned to eliminate duplicates H: 21 70.749 2.492 1.287 0.929 1.000 0.600 CA 1.942 21 residues pruned to eliminate duplicates I: 20 64.986 2.579 1.130 0.931 1.000 0.789 CA 1.896 20 residues pruned to eliminate duplicates J: 18 26.770 2.117 0.569 0.834 0.941 0.765 CB 1.557 K: 15 33.119 2.382 0.623 0.859 0.929 0.643 CB 1.815 16 residues pruned to eliminate duplicates L: 14 27.717 2.086 0.772 0.870 1.000 0.692 CB 1.518 14 residues pruned to eliminate duplicates M: 15 23.890 1.994 0.413 0.883 1.000 0.786 CA 1.639 15 residues pruned to eliminate duplicates N: 20 65.950 2.560 1.163 0.921 1.000 0.789 CA 1.922 20 residues pruned to eliminate duplicates O: 20 60.972 2.514 1.076 0.953 1.000 0.895 CA 1.846 20 residues pruned to eliminate duplicates P: 21 56.542 2.498 1.021 0.918 0.950 0.750 CA 1.858 21 residues pruned to eliminate duplicates Q: 22 43.118 2.369 0.928 0.923 0.952 0.619 CB 1.520 R: 12 37.633 2.395 1.157 0.855 1.000 0.636 CA 1.621 S: 21 61.473 2.432 1.172 0.897 1.000 0.700 CA 1.863 21 residues pruned to eliminate duplicates T: 17 32.037 2.223 0.536 0.856 1.000 0.750 CA 1.730 18 residues pruned to eliminate duplicates U: 16 31.510 2.160 0.738 0.847 0.933 0.733 CB 1.724 V: 20 73.219 2.562 1.404 0.934 1.000 0.895 CA 1.902 20 residues pruned to eliminate duplicates W: 21 70.432 2.514 1.279 0.942 1.000 0.800 CA 1.906 21 residues pruned to eliminate duplicates X: 17 26.041 2.197 0.390 0.872 0.938 0.812 CB 1.658 17 residues pruned to eliminate duplicates Y: 15 46.918 2.361 1.586 0.819 0.929 0.500 CA 1.677 12 residues pruned to eliminate duplicates Z: 23 49.146 2.162 0.985 0.927 1.000 0.727 CA 1.710 Z: 22 44.461 2.276 0.806 0.936 0.952 0.667 CA 1.725 22 residues pruned to eliminate duplicates Z: 22 43.627 2.353 1.184 0.928 0.857 0.476 CB 1.513 22 residues pruned to eliminate duplicates Z: 11 20.488 2.145 0.272 0.866 1.000 0.800 CA 1.739 11 residues pruned to eliminate duplicates Z: 22 40.957 2.225 1.239 0.852 0.857 0.476 CB 1.547 23 residues pruned to eliminate duplicates Z: 15 41.889 2.216 1.664 0.825 0.929 0.786 CA 1.542 15 residues pruned to eliminate duplicates Z: 21 44.941 2.368 0.924 0.937 1.000 0.650 CB 1.535 22 residues pruned to eliminate duplicates Z: 16 31.821 2.244 0.819 0.880 0.867 0.733 CB 1.684 16 residues pruned to eliminate duplicates Z: 14 29.126 2.130 0.531 0.898 1.000 0.769 CA 1.772 14 residues pruned to eliminate duplicates Z: 16 25.289 2.190 0.325 0.876 1.000 0.667 CB 1.634 15 residues pruned to eliminate duplicates Z: 14 30.431 2.095 0.799 0.864 1.000 0.846 CB 1.642 13 residues pruned to eliminate duplicates Z: 23 46.200 2.319 0.938 0.928 1.000 0.682 CB 1.535 21 residues pruned to eliminate duplicates Z: 16 34.970 2.244 0.805 0.845 0.933 0.667 CB 1.776 16 residues pruned to eliminate duplicates Z: 22 45.264 2.349 1.064 0.946 0.905 0.571 CB 1.557 22 residues pruned to eliminate duplicates Z: 13 24.582 2.219 0.540 0.824 0.917 0.583 CA 1.710 13 residues pruned to eliminate duplicates Z: 15 29.763 2.359 0.835 0.892 0.857 0.786 CA 1.540 15 residues pruned to eliminate duplicates Z: 15 38.174 2.377 1.107 0.873 1.000 0.786 CA 1.484 15 residues pruned to eliminate duplicates Z: 13 44.633 2.406 1.509 0.880 1.000 0.833 CA 1.546 13 residues pruned to eliminate duplicates Z: 18 32.086 2.157 0.943 0.820 0.882 0.706 CB 1.594 18 residues pruned to eliminate duplicates Z: 66 53.752 2.149 0.732 0.745 0.985 0.662 CB 1.461 23 residues pruned to eliminate duplicates Z: 19 49.542 2.361 1.027 0.923 0.944 0.611 CB 1.815 19 residues pruned to eliminate duplicates Z: 22 50.207 2.284 1.124 0.924 0.905 0.619 CA 1.753 22 residues pruned to eliminate duplicates Z: 23 37.447 2.227 1.034 0.915 0.955 0.364 CB 1.305 23 residues pruned to eliminate duplicates Z: 22 46.579 2.231 1.126 0.902 0.952 0.810 CB 1.605 22 residues pruned to eliminate duplicates Z: 15 27.192 2.169 0.521 0.893 0.929 0.714 CB 1.703 15 residues pruned to eliminate duplicates Z: 22 52.126 2.359 0.928 0.891 1.000 0.714 CA 1.798 22 residues pruned to eliminate duplicates Z: 16 28.333 2.253 0.496 0.871 0.933 0.667 CB 1.696 16 residues pruned to eliminate duplicates Z: 15 25.911 2.172 0.509 0.880 0.929 0.714 CB 1.649 15 residues pruned to eliminate duplicates Z: 14 30.293 2.258 0.536 0.790 1.000 0.462 O 1.877 15 residues pruned to eliminate duplicates Z: 19 18.563 2.055 0.470 0.632 0.889 0.611 CB 1.438 19 residues pruned to eliminate duplicates Z: 20 78.442 2.538 1.486 0.940 1.000 0.526 CB 1.981 21 residues pruned to eliminate duplicates Z: 23 49.667 2.196 1.055 0.932 0.955 0.636 CB 1.716 23 residues pruned to eliminate duplicates Z: 17 31.194 2.221 0.602 0.882 0.938 0.750 CB 1.692 17 residues pruned to eliminate duplicates Z: 20 55.166 2.361 1.045 0.958 1.000 0.737 CB 1.798 22 residues pruned to eliminate duplicates Z: 21 47.549 2.321 1.024 0.885 0.950 0.800 CB 1.721 21 residues pruned to eliminate duplicates Z: 21 56.237 2.376 0.975 0.940 1.000 0.800 CA 1.861 21 residues pruned to eliminate duplicates Z: 14 26.071 2.212 0.471 0.898 1.000 0.923 CB 1.589 Z: 20 64.838 2.478 1.418 0.939 0.895 0.526 CB 1.928 20 residues pruned to eliminate duplicates Z: 17 19.590 2.032 0.294 0.826 0.938 0.375 CB 1.498 17 residues pruned to eliminate duplicates Z: 17 32.455 2.192 0.649 0.836 1.000 0.812 CA 1.680 17 residues pruned to eliminate duplicates Z: 15 25.875 2.217 0.623 0.883 0.929 0.786 CA 1.496 14 residues pruned to eliminate duplicates Z: 22 44.855 2.238 0.916 0.908 0.952 0.810 CB 1.702 22 residues pruned to eliminate duplicates Z: 21 45.538 2.312 0.830 0.933 0.950 0.750 CA 1.767 21 residues pruned to eliminate duplicates Z: 15 28.289 2.104 0.842 0.871 0.929 0.571 CB 1.532 15 residues pruned to eliminate duplicates Z: 20 54.543 2.283 1.335 0.937 1.000 0.474 CB 1.634 20 residues pruned to eliminate duplicates Z: 17 13.634 2.156 0.223 0.641 0.875 0.812 CB 1.295 17 residues pruned to eliminate duplicates Z: 15 36.606 2.388 1.182 0.835 0.929 0.571 CA 1.515 15 residues pruned to eliminate duplicates Z: 23 41.163 2.235 1.137 0.901 0.955 0.364 CB 1.374 23 residues pruned to eliminate duplicates Z: 14 38.149 2.257 1.254 0.924 0.923 0.769 CB 1.583 15 residues pruned to eliminate duplicates Z: 8 6.000 1.758 0.098 0.787 0.857 0.714 CB 1.066 Z: 14 24.067 2.224 0.541 0.901 1.000 0.923 CB 1.390 14 residues pruned to eliminate duplicates Z: 14 27.982 2.161 0.529 0.841 1.000 0.769 CB 1.751 14 residues pruned to eliminate duplicates Z: 23 48.723 2.312 1.042 0.932 1.000 0.545 CB 1.537 23 residues pruned to eliminate duplicates Z: 15 30.435 2.221 0.913 0.899 0.929 0.786 CB 1.475 15 residues pruned to eliminate duplicates Z: 13 24.996 2.399 0.249 0.911 0.917 0.750 CB 1.861 13 residues pruned to eliminate duplicates Z: 18 19.993 2.057 0.278 0.895 1.000 0.706 CB 1.321 18 residues pruned to eliminate duplicates Z: 22 31.460 2.204 0.497 0.895 0.905 0.905 CA 1.649 20 residues pruned to eliminate duplicates Z: 14 35.771 2.380 1.312 0.816 0.846 0.615 CA 1.620 14 residues pruned to eliminate duplicates Z: 17 24.906 2.194 0.567 0.665 1.000 0.562 CB 1.554 17 residues pruned to eliminate duplicates Z: 12 10.259 1.862 0.193 0.883 1.000 0.636 CB 1.007 Z: 23 41.486 2.297 0.782 0.933 1.000 0.727 CB 1.507 23 residues pruned to eliminate duplicates Z: 12 15.986 1.937 0.509 0.808 0.909 0.455 CB 1.387 12 residues pruned to eliminate duplicates Z: 16 35.985 2.100 1.099 0.883 0.933 0.533 CA 1.633 16 residues pruned to eliminate duplicates Z: 17 27.358 2.205 0.460 0.894 0.938 0.938 CB 1.626 17 residues pruned to eliminate duplicates Z: 22 39.558 2.348 0.715 0.932 1.000 0.810 CB 1.498 22 residues pruned to eliminate duplicates Z: 16 31.083 2.129 0.811 0.910 0.867 0.600 CB 1.704 16 residues pruned to eliminate duplicates Z: 14 29.654 2.225 1.073 0.869 0.846 0.692 CB 1.539 14 residues pruned to eliminate duplicates Z: 14 29.104 2.261 0.564 0.930 1.000 1.000 CB 1.596 14 residues pruned to eliminate duplicates Z: 15 36.449 2.298 1.056 0.882 1.000 0.786 CA 1.491 15 residues pruned to eliminate duplicates Z: 9 4.864 1.633 0.042 0.805 0.750 0.500 CB 1.032 8 residues pruned to eliminate duplicates Z: 10 12.561 1.986 0.222 0.927 1.000 1.000 CB 1.209 Z: 15 36.456 2.374 1.094 0.848 0.929 0.571 CA 1.566 15 residues pruned to eliminate duplicates Z: 15 30.376 2.342 0.775 0.849 1.000 0.929 CA 1.447 15 residues pruned to eliminate duplicates Z: 13 29.856 2.438 0.517 0.851 0.917 0.750 CB 1.882 13 residues pruned to eliminate duplicates Z: 13 22.635 2.255 0.610 0.890 0.833 0.750 CB 1.553 13 residues pruned to eliminate duplicates Z: 24 26.856 2.186 0.341 0.899 1.000 0.826 CB 1.366 24 residues pruned to eliminate duplicates Z: 60 27.920 2.048 0.324 0.637 0.915 0.576 CB 1.288 23 residues pruned to eliminate duplicates Z: 14 15.920 2.088 0.259 0.810 0.923 0.769 CB 1.389 14 residues pruned to eliminate duplicates Z: 13 20.705 2.128 0.346 0.826 1.000 0.833 CA 1.574 Z: 13 26.081 2.343 0.568 0.783 0.917 0.583 CB 1.742 13 residues pruned to eliminate duplicates Z: 22 34.109 2.229 0.512 0.908 0.952 0.714 CA 1.647 22 residues pruned to eliminate duplicates Z: 16 26.776 2.275 0.531 0.847 0.867 0.667 CB 1.700 16 residues pruned to eliminate duplicates Z: 11 20.352 1.936 0.537 0.932 1.000 1.000 CB 1.511 11 residues pruned to eliminate duplicates Z: 18 35.275 2.325 0.883 0.893 0.882 0.706 CB 1.591 18 residues pruned to eliminate duplicates Z: 12 25.992 2.172 0.443 0.857 1.000 0.727 O 1.843 12 residues pruned to eliminate duplicates Z: 24 23.967 2.135 0.205 0.920 1.000 0.870 CB 1.368 24 residues pruned to eliminate duplicates Z: 13 24.885 2.133 0.498 0.848 1.000 0.917 CB 1.667 13 residues pruned to eliminate duplicates Z: 75 88.615 2.435 1.008 0.698 0.946 0.514 CB 1.859 65 residues pruned to eliminate duplicates Z: 15 25.964 2.174 0.370 0.887 1.000 0.857 CB 1.680 15 residues pruned to eliminate duplicates Z: 11 16.650 1.890 0.338 0.913 1.000 1.000 CB 1.474 11 residues pruned to eliminate duplicates Z: 10 11.309 2.007 0.224 0.738 1.000 0.667 CB 1.240 Z: 14 16.041 1.996 0.449 0.747 1.000 0.462 CB 1.234 14 residues pruned to eliminate duplicates Z: 13 15.464 2.066 0.605 0.730 0.917 0.667 CB 1.194 10 residues pruned to eliminate duplicates Z: 11 11.791 1.770 0.208 0.876 1.000 0.700 CB 1.267 Z: 11 16.215 1.757 0.648 0.828 1.000 0.600 CB 1.334 11 residues pruned to eliminate duplicates Z: 13 24.546 2.136 0.490 0.823 1.000 0.833 CA 1.683 13 residues pruned to eliminate duplicates Z: 13 21.829 2.267 0.679 0.878 0.833 0.750 CB 1.442 13 residues pruned to eliminate duplicates Z: 22 27.195 1.935 0.731 0.929 1.000 0.714 CB 1.240 Z: 12 13.476 1.871 0.162 0.861 0.909 0.727 CB 1.511 3 residues pruned to eliminate duplicates Z: 16 29.847 2.271 0.731 0.881 0.867 0.600 CB 1.638 16 residues pruned to eliminate duplicates Z: 23 41.135 2.299 0.723 0.946 1.000 0.636 CB 1.531 23 residues pruned to eliminate duplicates Z: 12 12.690 1.829 0.141 0.910 1.000 0.909 CB 1.301 12 residues pruned to eliminate duplicates Z: 9 10.551 1.842 0.516 0.784 1.000 0.625 CB 1.041 9 residues pruned to eliminate duplicates Z: 11 20.310 1.881 0.643 0.876 1.000 0.900 CB 1.510 11 residues pruned to eliminate duplicates Z: 6 5.824 2.025 0.017 0.762 0.800 0.600 CB 1.253 6 residues pruned to eliminate duplicates Z: 18 26.433 2.178 0.665 0.693 1.000 0.706 CB 1.481 18 residues pruned to eliminate duplicates Z: 23 29.401 2.231 0.497 0.896 1.000 0.773 CB 1.345 23 residues pruned to eliminate duplicates Z: 13 21.830 2.061 0.413 0.847 1.000 0.833 CB 1.607 12 residues pruned to eliminate duplicates Z: 51 58.264 2.242 0.770 0.813 1.000 0.720 CB 1.581 50 residues pruned to eliminate duplicates Z: 13 13.755 1.905 0.324 0.850 1.000 0.917 CB 1.167 12 residues pruned to eliminate duplicates Z: 13 16.626 2.127 0.330 0.800 0.917 0.667 CB 1.423 13 residues pruned to eliminate duplicates Z: 6 18.740 2.239 1.149 0.742 1.000 0.800 CA 1.402 6 residues pruned to eliminate duplicates Z: 12 25.024 2.065 0.696 0.854 1.000 0.909 CA 1.591 13 residues pruned to eliminate duplicates Z: 15 28.002 2.147 0.823 0.896 1.000 0.786 CB 1.369 15 residues pruned to eliminate duplicates Z: 18 20.734 1.977 0.591 0.905 0.941 0.647 CB 1.209 18 residues pruned to eliminate duplicates Z: 111 84.123 2.305 0.815 0.669 0.945 0.636 CB 1.734 107 residues pruned to eliminate duplicates Z: 13 24.926 2.078 0.663 0.846 1.000 0.667 CB 1.547 13 residues pruned to eliminate duplicates Z: 21 25.332 1.994 0.513 0.940 1.000 0.850 CB 1.304 21 residues pruned to eliminate duplicates Z: 22 33.106 1.961 0.885 0.931 1.000 0.714 CB 1.366 22 residues pruned to eliminate duplicates Z: 21 43.644 2.183 0.896 0.905 1.000 0.650 CB 1.679 21 residues pruned to eliminate duplicates Z: 15 27.794 2.113 1.094 0.905 0.857 0.643 CB 1.394 15 residues pruned to eliminate duplicates Z: 14 17.492 1.948 0.356 0.807 1.000 0.769 CB 1.406 14 residues pruned to eliminate duplicates Z: 22 38.719 2.308 0.761 0.939 0.952 0.429 CB 1.516 22 residues pruned to eliminate duplicates Z: 13 33.685 2.278 0.820 0.917 1.000 0.750 CB 1.656 13 residues pruned to eliminate duplicates Z: 22 21.953 1.878 0.363 0.951 1.000 0.952 CA 1.290 22 residues pruned to eliminate duplicates Z: 54 37.994 2.118 0.513 0.622 0.943 0.547 CB 1.539 54 residues pruned to eliminate duplicates Z: 13 34.578 2.336 1.154 0.919 0.917 0.917 CB 1.526 13 residues pruned to eliminate duplicates Z: 53 50.056 2.187 0.748 0.735 0.962 0.654 CB 1.529 53 residues pruned to eliminate duplicates Z: 22 40.677 2.324 0.964 0.926 0.905 0.476 CB 1.507 22 residues pruned to eliminate duplicates Z: 18 22.650 1.993 0.535 0.836 0.941 0.647 CB 1.429 18 residues pruned to eliminate duplicates Z: 68 68.477 2.393 0.898 0.655 0.881 0.582 CB 1.812 68 residues pruned to eliminate duplicates Z: 20 55.124 2.495 0.949 0.929 1.000 0.737 CA 1.820 20 residues pruned to eliminate duplicates Z: 12 12.455 1.918 0.139 0.851 1.000 0.727 CB 1.271 12 residues pruned to eliminate duplicates Z: 15 39.256 2.344 1.088 0.865 1.000 0.714 CA 1.571 15 residues pruned to eliminate duplicates Z: 15 28.153 2.203 0.794 0.895 0.929 0.643 CA 1.469 15 residues pruned to eliminate duplicates Z: 13 23.851 2.160 0.472 0.817 1.000 0.833 CA 1.644 13 residues pruned to eliminate duplicates Z: 11 14.148 1.805 0.293 0.916 1.000 1.000 CB 1.355 Z: 14 16.749 2.037 0.247 0.834 1.000 0.769 CB 1.372 14 residues pruned to eliminate duplicates Z: 18 15.844 2.019 0.284 0.757 0.941 0.529 CB 1.252 18 residues pruned to eliminate duplicates Z: 14 12.063 1.705 0.154 0.888 1.000 0.769 CB 1.225 13 residues pruned to eliminate duplicates Z: 21 26.633 1.957 0.813 0.925 0.950 0.650 CB 1.240 21 residues pruned to eliminate duplicates Z: 11 20.161 1.932 0.532 0.902 1.000 0.800 CB 1.536 11 residues pruned to eliminate duplicates Z: 40 40.277 2.161 0.755 0.787 0.949 0.590 CB 1.392 40 residues pruned to eliminate duplicates Z: 11 15.978 2.062 0.311 0.890 0.900 0.700 CB 1.494 11 residues pruned to eliminate duplicates Z: 11 22.327 1.940 0.719 0.908 1.000 0.500 CB 1.503 11 residues pruned to eliminate duplicates Z: 10 11.032 1.841 0.890 0.786 0.778 0.667 CB 1.057 10 residues pruned to eliminate duplicates Z: 13 33.494 2.146 0.847 0.902 0.917 0.333 O 1.898 13 residues pruned to eliminate duplicates Z: 11 21.249 1.910 0.654 0.905 1.000 0.900 CB 1.514 11 residues pruned to eliminate duplicates Z: 15 39.181 2.311 1.469 0.774 0.929 0.643 CA 1.551 15 residues pruned to eliminate duplicates Z: 13 13.153 1.756 0.199 0.932 1.000 0.917 CB 1.259 13 residues pruned to eliminate duplicates Z: 11 19.768 1.947 0.718 0.904 0.900 0.700 CB 1.478 11 residues pruned to eliminate duplicates Z: 52 55.904 2.190 0.823 0.816 0.980 0.804 CB 1.520 52 residues pruned to eliminate duplicates Z: 12 14.989 1.740 0.467 0.914 1.000 0.818 CB 1.251 11 residues pruned to eliminate duplicates Z: 22 27.624 1.921 0.637 0.914 1.000 0.667 CB 1.355 22 residues pruned to eliminate duplicates Z: 18 19.073 2.031 0.502 0.824 0.882 0.471 CB 1.299 18 residues pruned to eliminate duplicates Z: 12 12.751 1.939 0.153 0.870 1.000 0.818 CB 1.256 12 residues pruned to eliminate duplicates Z: 111 80.430 2.281 0.803 0.678 0.936 0.600 CB 1.690 111 residues pruned to eliminate duplicates Z: 15 33.078 2.371 0.554 0.843 1.000 0.643 CB 1.787 16 residues pruned to eliminate duplicates Z: 25 30.850 2.111 0.497 0.899 1.000 0.875 CB 1.424 25 residues pruned to eliminate duplicates Z: 23 31.507 2.136 0.467 0.904 0.955 0.818 CA 1.599 23 residues pruned to eliminate duplicates Z: 11 12.392 1.884 0.278 0.900 1.000 0.800 CB 1.162 11 residues pruned to eliminate duplicates Z: 22 34.543 1.949 1.056 0.938 1.000 0.429 CB 1.309 22 residues pruned to eliminate duplicates Z: 15 31.134 2.195 0.744 0.843 0.929 0.714 CB 1.743 15 residues pruned to eliminate duplicates Z: 29 22.408 1.928 0.435 0.697 0.929 0.571 CB 1.377 23 residues pruned to eliminate duplicates Z: 12 14.045 1.858 0.513 0.917 1.000 0.818 CB 1.062 12 residues pruned to eliminate duplicates Z: 21 29.734 1.976 0.848 0.945 0.950 0.500 CB 1.326 21 residues pruned to eliminate duplicates Z: 11 18.373 1.919 0.504 0.910 1.000 0.800 CB 1.428 11 residues pruned to eliminate duplicates Z: 21 33.336 2.010 0.898 0.936 1.000 0.700 CB 1.361 21 residues pruned to eliminate duplicates Z: 18 20.569 2.172 0.689 0.700 0.824 0.471 CB 1.376 18 residues pruned to eliminate duplicates Z: 14 28.914 2.178 1.042 0.836 0.923 0.692 CB 1.463 14 residues pruned to eliminate duplicates Z: 12 13.162 1.756 0.391 0.836 0.909 0.455 CB 1.337 12 residues pruned to eliminate duplicates Z: 11 15.959 2.025 0.466 0.775 1.000 0.800 CB 1.333 11 residues pruned to eliminate duplicates Z: 13 22.964 2.102 0.899 0.889 0.917 0.500 CB 1.305 13 residues pruned to eliminate duplicates Z: 13 11.048 2.017 0.089 0.709 1.000 0.833 CB 1.201 13 residues pruned to eliminate duplicates Z: 22 36.726 2.225 0.616 0.886 0.952 0.857 CA 1.689 22 residues pruned to eliminate duplicates Z: 55 42.753 2.122 0.649 0.630 0.963 0.648 CB 1.528 55 residues pruned to eliminate duplicates Z: 55 72.634 2.396 0.813 0.755 0.963 0.741 CB 1.883 55 residues pruned to eliminate duplicates Z: 18 16.811 1.985 0.384 0.807 0.941 0.529 CB 1.207 18 residues pruned to eliminate duplicates Z: 40 38.296 2.127 0.904 0.703 0.949 0.564 CB 1.327 40 residues pruned to eliminate duplicates Z: 13 12.443 1.724 0.252 0.899 1.000 0.833 CB 1.190 13 residues pruned to eliminate duplicates Z: 17 16.971 2.016 0.283 0.796 1.000 0.625 CB 1.265 17 residues pruned to eliminate duplicates Z: 13 27.227 2.249 0.651 0.847 0.917 0.750 CB 1.714 13 residues pruned to eliminate duplicates Z: 16 34.724 2.156 0.690 0.909 1.000 0.867 CA 1.746 16 residues pruned to eliminate duplicates Z: 11 25.094 1.948 0.840 0.933 1.000 0.800 CB 1.545 11 residues pruned to eliminate duplicates Z: 15 17.673 1.963 0.438 0.793 1.000 0.429 CB 1.295 15 residues pruned to eliminate duplicates Z: 14 15.529 2.065 0.190 0.768 0.923 0.769 CB 1.497 14 residues pruned to eliminate duplicates Z: 19 23.233 1.951 0.464 0.851 1.000 0.778 CB 1.420 19 residues pruned to eliminate duplicates Z: 75 82.975 2.438 0.925 0.695 0.919 0.676 CB 1.871 75 residues pruned to eliminate duplicates Z: 11 11.077 1.756 0.281 0.884 0.900 0.800 CB 1.250 11 residues pruned to eliminate duplicates Z: 13 12.286 1.878 0.034 0.892 1.000 0.833 CB 1.312 13 residues pruned to eliminate duplicates Z: 10 12.045 1.885 0.209 0.794 1.000 0.444 CB 1.361 10 residues pruned to eliminate duplicates Z: 11 20.788 2.083 0.555 0.871 0.900 0.600 CA 1.645 11 residues pruned to eliminate duplicates Z: 18 27.170 1.949 0.827 0.905 1.000 0.647 CB 1.317 18 residues pruned to eliminate duplicates Z: 9 9.916 1.740 0.258 0.907 1.000 0.875 CB 1.138 9 residues pruned to eliminate duplicates Z: 21 17.207 1.898 0.071 0.931 1.000 0.950 CB 1.323 21 residues pruned to eliminate duplicates Z: 13 21.524 2.110 0.359 0.833 1.000 0.750 CA 1.626 13 residues pruned to eliminate duplicates Z: 15 27.107 2.106 0.543 0.882 1.000 0.786 CA 1.614 15 residues pruned to eliminate duplicates Z: 12 23.112 2.107 0.621 0.848 1.000 0.818 CB 1.514 12 residues pruned to eliminate duplicates Z: 11 21.016 1.944 0.659 0.927 1.000 0.500 CB 1.443 11 residues pruned to eliminate duplicates Z: 24 35.804 2.234 0.702 0.917 1.000 0.870 CB 1.386 24 residues pruned to eliminate duplicates Z: 14 16.328 2.026 0.233 0.773 1.000 0.615 CB 1.424 14 residues pruned to eliminate duplicates Z: 17 22.877 2.127 0.480 0.738 1.000 0.750 CB 1.467 17 residues pruned to eliminate duplicates Z: 20 51.225 2.484 0.984 0.900 0.947 0.737 CB 1.798 20 residues pruned to eliminate duplicates Z: 16 24.122 2.238 0.645 0.845 0.867 0.867 CA 1.451 16 residues pruned to eliminate duplicates Z: 23 18.656 1.863 0.572 0.633 0.909 0.636 CB 1.319 23 residues pruned to eliminate duplicates Z: 12 13.933 1.837 0.255 0.911 1.000 0.909 CB 1.292 12 residues pruned to eliminate duplicates Z: 21 31.478 1.980 0.941 0.949 1.000 0.600 CB 1.264 21 residues pruned to eliminate duplicates Z: 15 13.205 2.036 0.342 0.652 0.857 0.643 CB 1.308 15 residues pruned to eliminate duplicates Z: 12 10.501 1.958 -0.017 0.832 0.909 0.818 CB 1.358 12 residues pruned to eliminate duplicates Z: 23 35.546 2.267 0.559 0.918 1.000 0.864 CB 1.512 23 residues pruned to eliminate duplicates Z: 10 15.757 1.769 0.655 0.899 1.000 0.444 CB 1.283 10 residues pruned to eliminate duplicates Z: 21 66.711 2.426 1.345 0.892 1.000 0.700 CA 1.884 21 residues pruned to eliminate duplicates Z: 7 7.811 1.844 0.252 0.808 1.000 0.833 CB 1.055 7 residues pruned to eliminate duplicates Z: 22 30.179 1.951 0.733 0.956 1.000 0.714 CB 1.338 22 residues pruned to eliminate duplicates Z: 15 24.996 2.210 0.683 0.745 1.000 0.429 CB 1.443 15 residues pruned to eliminate duplicates Z: 76 87.046 2.422 0.964 0.711 0.960 0.493 CB 1.817 75 residues pruned to eliminate duplicates Z: 12 10.904 1.979 0.243 0.755 0.909 0.818 CB 1.170 12 residues pruned to eliminate duplicates Z: 22 23.505 1.881 0.498 0.945 1.000 0.762 CB 1.259 22 residues pruned to eliminate duplicates Z: 10 18.062 1.828 0.721 0.914 1.000 0.556 CB 1.354 10 residues pruned to eliminate duplicates Z: 17 18.725 2.042 0.326 0.831 0.875 0.688 CB 1.484 17 residues pruned to eliminate duplicates Z: 13 12.761 2.095 0.085 0.801 1.000 0.750 CB 1.245 13 residues pruned to eliminate duplicates Z: 112 81.215 2.281 0.823 0.674 0.937 0.658 CB 1.686 112 residues pruned to eliminate duplicates Z: 11 23.258 2.268 0.470 0.899 0.900 0.600 CB 1.753 11 residues pruned to eliminate duplicates Z: 22 30.635 1.960 0.742 0.946 1.000 0.714 CB 1.354 22 residues pruned to eliminate duplicates Z: 13 17.763 1.705 0.727 0.859 1.000 0.500 CB 1.281 13 residues pruned to eliminate duplicates Z: 15 16.622 1.938 0.450 0.788 1.000 0.500 CB 1.227 15 residues pruned to eliminate duplicates Z: 11 14.391 2.177 0.377 0.756 0.900 0.500 CB 1.343 11 residues pruned to eliminate duplicates Z: 12 22.608 2.085 0.560 0.817 1.000 0.727 CB 1.591 12 residues pruned to eliminate duplicates Z: 15 20.678 1.969 0.265 0.871 1.000 0.929 CA 1.619 15 residues pruned to eliminate duplicates Z: 11 12.591 1.801 0.269 0.906 1.000 0.800 CB 1.239 12 residues pruned to eliminate duplicates Z: 21 29.272 1.948 1.006 0.943 0.900 0.600 CB 1.289 21 residues pruned to eliminate duplicates Z: 12 16.304 1.725 0.696 0.919 1.000 0.727 CB 1.185 12 residues pruned to eliminate duplicates Z: 17 28.709 2.045 0.606 0.859 1.000 0.688 CA 1.608 17 residues pruned to eliminate duplicates Z: 10 15.663 1.794 0.730 0.831 1.000 0.556 CB 1.263 11 residues pruned to eliminate duplicates Z: 9 11.065 1.988 0.473 0.706 0.875 0.750 CB 1.266 9 residues pruned to eliminate duplicates Z: 13 13.242 1.726 0.360 0.895 1.000 0.917 CB 1.167 13 residues pruned to eliminate duplicates Z: 13 16.230 2.003 0.266 0.804 1.000 0.667 CB 1.417 13 residues pruned to eliminate duplicates Z: 34 38.441 2.253 0.714 0.650 0.939 0.667 CA 1.605 34 residues pruned to eliminate duplicates Z: 19 15.050 1.931 0.392 0.762 0.889 0.611 CB 1.177 19 residues pruned to eliminate duplicates Z: 11 12.512 1.777 0.219 0.903 1.000 0.900 CB 1.301 11 residues pruned to eliminate duplicates Z: 60 38.893 2.140 0.590 0.596 0.898 0.627 CB 1.512 60 residues pruned to eliminate duplicates Z: 18 18.197 1.911 0.440 0.823 0.941 0.588 CB 1.288 18 residues pruned to eliminate duplicates Z: 22 23.942 1.909 0.460 0.923 1.000 0.905 CB 1.317 22 residues pruned to eliminate duplicates Z: 50 49.564 2.221 0.860 0.785 0.898 0.551 CB 1.486 50 residues pruned to eliminate duplicates Z: 13 14.335 1.749 0.559 0.873 1.000 0.583 CB 1.106 13 residues pruned to eliminate duplicates Z: 22 12.856 1.967 0.180 0.552 0.857 0.571 CB 1.340 22 residues pruned to eliminate duplicates Z: 12 13.732 1.660 0.349 0.919 1.000 0.818 CB 1.303 12 residues pruned to eliminate duplicates Z: 22 20.056 1.874 0.282 0.922 1.000 0.905 CB 1.281 22 residues pruned to eliminate duplicates Z: 37 36.677 2.165 0.713 0.578 0.972 0.611 CB 1.573 37 residues pruned to eliminate duplicates Z: 42 75.868 2.409 1.044 0.789 1.000 0.756 CA 1.867 42 residues pruned to eliminate duplicates Z: 20 25.500 1.955 0.791 0.918 0.895 0.632 CB 1.317 20 residues pruned to eliminate duplicates Z: 12 10.563 1.770 0.207 0.850 0.909 0.727 CB 1.215 12 residues pruned to eliminate duplicates Z: 15 23.955 2.275 0.262 0.866 0.929 0.786 CB 1.759 15 residues pruned to eliminate duplicates Z: 6 6.885 1.703 0.440 0.805 1.000 0.800 CB 0.962 Z: 8 12.248 2.105 0.526 0.735 0.857 0.714 CB 1.362 9 residues pruned to eliminate duplicates Z: 18 22.752 2.159 0.527 0.671 0.941 0.706 CB 1.518 18 residues pruned to eliminate duplicates Z: 12 12.688 1.796 0.298 0.898 0.909 0.909 CB 1.291 12 residues pruned to eliminate duplicates Z: 17 26.141 1.956 0.736 0.909 1.000 0.625 CB 1.366 17 residues pruned to eliminate duplicates Z: 20 47.632 2.437 0.769 0.907 1.000 0.895 CA 1.802 20 residues pruned to eliminate duplicates Z: 19 12.353 1.908 0.118 0.785 0.944 0.611 CB 1.126 19 residues pruned to eliminate duplicates Z: 10 11.728 1.650 0.341 0.901 1.000 0.889 CB 1.261 10 residues pruned to eliminate duplicates Z: 21 21.325 1.936 0.284 0.937 1.000 0.950 CB 1.335 21 residues pruned to eliminate duplicates Z: 8 13.740 1.860 0.724 0.781 0.857 0.857 O 1.475 8 residues pruned to eliminate duplicates Z: 12 15.703 1.738 0.657 0.903 1.000 0.636 CB 1.172 12 residues pruned to eliminate duplicates Z: 48 61.498 2.272 0.854 0.830 1.000 0.660 CB 1.601 48 residues pruned to eliminate duplicates Z: 62 68.923 2.383 0.817 0.703 0.918 0.672 CB 1.845 62 residues pruned to eliminate duplicates Z: 12 11.012 1.692 0.293 0.868 1.000 0.909 CB 1.110 12 residues pruned to eliminate duplicates Z: 13 12.538 1.884 0.333 0.887 0.917 0.917 CB 1.134 13 residues pruned to eliminate duplicates Z: 13 26.453 2.165 0.681 0.822 0.917 0.667 CB 1.732 13 residues pruned to eliminate duplicates Z: 9 4.159 1.727 0.528 0.456 0.750 0.500 CB 0.778 9 residues pruned to eliminate duplicates Z: 13 10.404 1.652 0.101 0.885 1.000 0.750 CB 1.192 12 residues pruned to eliminate duplicates Z: 11 13.761 1.921 0.423 0.919 1.000 0.900 CB 1.122 11 residues pruned to eliminate duplicates Z: 8 7.923 1.681 0.466 0.804 0.857 0.571 CB 1.088 8 residues pruned to eliminate duplicates Z: 8 12.132 2.005 0.601 0.561 0.857 0.714 CA 1.570 8 residues pruned to eliminate duplicates Z: 12 12.707 1.681 0.804 0.893 0.909 0.727 CB 0.998 12 residues pruned to eliminate duplicates Z: 11 13.966 1.811 0.304 0.928 1.000 0.900 CB 1.310 11 residues pruned to eliminate duplicates Z: 9 10.740 1.977 0.296 0.754 1.000 0.375 CB 1.182 9 residues pruned to eliminate duplicates Z: 11 11.793 1.783 0.244 0.904 1.000 1.000 CB 1.197 11 residues pruned to eliminate duplicates Z: 7 5.338 2.177 0.206 0.280 0.667 0.500 CB 1.597 7 residues pruned to eliminate duplicates Z: 23 20.745 2.116 0.129 0.905 1.000 0.864 CB 1.318 23 residues pruned to eliminate duplicates 6 1.962 1.548 0.517 0.405 0.600 0.400 CB 0.688 ? Z: 19 59.152 2.551 1.217 0.944 0.889 0.333 CB 1.922 19 residues pruned to eliminate duplicates Z: 24 31.899 2.163 0.515 0.891 1.000 0.652 CB 1.460 24 residues pruned to eliminate duplicates Z: 23 36.806 2.280 0.660 0.907 0.955 0.636 CB 1.544 23 residues pruned to eliminate duplicates Z: 11 13.736 1.719 0.450 0.925 1.000 0.800 CB 1.223 11 residues pruned to eliminate duplicates Z: 24 32.079 2.356 0.994 0.545 0.826 0.652 CA 1.649 24 residues pruned to eliminate duplicates Z: 12 10.910 1.744 0.158 0.864 0.909 0.818 CB 1.314 12 residues pruned to eliminate duplicates Z: 58 48.015 2.156 0.727 0.734 0.965 0.544 CB 1.434 58 residues pruned to eliminate duplicates Z: 6 7.761 1.876 0.483 0.589 0.800 0.600 N 1.432 6 residues pruned to eliminate duplicates Z: 18 21.594 1.953 0.399 0.842 1.000 0.706 CB 1.428 17 residues pruned to eliminate duplicates Z: 22 21.182 1.864 0.339 0.923 1.000 0.952 CB 1.301 22 residues pruned to eliminate duplicates Z: 23 24.352 2.219 0.224 0.900 0.955 0.864 CB 1.431 23 residues pruned to eliminate duplicates Z: 15 16.707 1.919 0.883 0.881 0.786 0.286 CB 1.139 15 residues pruned to eliminate duplicates Z: 17 22.424 1.951 0.438 0.810 1.000 0.750 CB 1.525 17 residues pruned to eliminate duplicates Z: 67 61.717 2.336 0.817 0.626 0.909 0.682 CA 1.749 67 residues pruned to eliminate duplicates Z: 17 21.240 2.027 0.410 0.828 1.000 0.750 CB 1.400 17 residues pruned to eliminate duplicates Z: 22 35.196 1.939 0.979 0.935 1.000 0.571 CB 1.395 22 residues pruned to eliminate duplicates Z: 12 15.859 1.809 0.363 0.928 1.000 0.909 CB 1.359 12 residues pruned to eliminate duplicates Z: 22 26.196 1.943 0.555 0.939 1.000 0.952 CB 1.315 22 residues pruned to eliminate duplicates Z: 13 13.818 1.736 0.339 0.921 1.000 0.833 CB 1.208 13 residues pruned to eliminate duplicates Z: 19 22.991 1.972 0.441 0.818 1.000 0.556 CB 1.447 19 residues pruned to eliminate duplicates Z: 14 22.189 1.970 0.479 0.870 0.923 0.769 CB 1.669 14 residues pruned to eliminate duplicates 6 1.558 1.234 0.182 0.363 0.800 0.600 CB 0.692 ? Z: 15 21.355 2.104 0.454 0.883 0.929 0.786 CB 1.453 15 residues pruned to eliminate duplicates Z: 18 18.941 1.968 0.335 0.837 0.941 0.647 CB 1.390 18 residues pruned to eliminate duplicates Z: 28 19.409 1.881 0.546 0.553 0.926 0.519 CB 1.317 28 residues pruned to eliminate duplicates Z: 8 18.263 2.105 0.924 0.753 1.000 0.857 CB 1.360 8 residues pruned to eliminate duplicates Z: 16 28.323 2.120 0.616 0.864 0.933 0.733 CA 1.676 16 residues pruned to eliminate duplicates Z: 18 23.602 1.910 0.715 0.929 0.941 0.647 CB 1.300 18 residues pruned to eliminate duplicates Z: 6 7.909 1.708 0.519 0.797 1.000 0.600 CB 1.051 6 residues pruned to eliminate duplicates Z: 14 19.549 2.042 0.408 0.836 1.000 0.846 CA 1.411 14 residues pruned to eliminate duplicates Z: 8 8.486 1.995 0.578 0.377 0.714 0.286 N 1.627 8 residues pruned to eliminate duplicates Z: 13 13.094 1.968 0.502 0.812 0.917 0.583 CB 1.063 13 residues pruned to eliminate duplicates Z: 22 28.160 2.117 0.508 0.860 0.952 0.857 CA 1.485 22 residues pruned to eliminate duplicates Z: 11 16.425 1.860 0.455 0.904 1.000 1.000 CB 1.367 11 residues pruned to eliminate duplicates Z: 38 53.479 2.363 0.741 0.801 0.973 0.838 CB 1.688 38 residues pruned to eliminate duplicates Z: 10 8.668 1.862 0.096 0.845 0.889 0.778 CB 1.184 10 residues pruned to eliminate duplicates Z: 109 75.434 2.256 0.760 0.659 0.935 0.630 CB 1.686 109 residues pruned to eliminate duplicates Z: 23 26.594 2.200 0.290 0.935 1.000 0.955 CB 1.392 23 residues pruned to eliminate duplicates Z: 6 5.912 1.712 0.309 0.683 1.000 0.400 CB 0.998 6 residues pruned to eliminate duplicates Z: 22 40.144 2.281 1.154 0.696 0.905 0.619 CA 1.647 22 residues pruned to eliminate duplicates Z: 16 16.332 1.944 0.737 0.642 0.867 0.400 CB 1.262 16 residues pruned to eliminate duplicates Z: 11 8.913 1.749 -0.008 0.918 1.000 0.900 CB 1.145 11 residues pruned to eliminate duplicates Z: 23 27.595 2.165 0.442 0.916 0.955 0.864 CB 1.394 23 residues pruned to eliminate duplicates Z: 22 23.256 1.875 0.594 0.912 0.952 0.429 CB 1.262 22 residues pruned to eliminate duplicates Z: 11 15.302 1.753 0.415 0.924 1.000 0.800 CB 1.370 11 residues pruned to eliminate duplicates Z: 17 12.997 1.968 0.252 0.681 0.875 0.688 CB 1.277 17 residues pruned to eliminate duplicates Z: 22 32.246 1.945 1.029 0.929 0.952 0.571 CB 1.311 22 residues pruned to eliminate duplicates Z: 86 61.607 2.207 0.717 0.639 0.941 0.588 CB 1.645 86 residues pruned to eliminate duplicates Z: 31 27.013 2.086 0.610 0.670 0.933 0.700 CB 1.344 31 residues pruned to eliminate duplicates Z: 11 18.815 1.956 0.462 0.913 1.000 0.600 CA 1.473 11 residues pruned to eliminate duplicates Z: 12 19.783 1.792 0.975 0.929 0.909 0.636 CB 1.297 11 residues pruned to eliminate duplicates Z: 9 13.727 1.897 0.321 0.883 1.000 0.750 CB 1.400 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 57 27.698 2.025 0.423 0.619 0.911 0.589 CB 1.260 57 residues pruned to eliminate duplicates Z: 30 18.526 1.889 0.383 0.670 0.966 0.448 CB 1.166 29 residues pruned to eliminate duplicates Z: 8 14.916 1.967 0.861 0.685 1.000 0.571 CB 1.300 8 residues pruned to eliminate duplicates Z: 20 14.732 2.010 0.410 0.706 0.842 0.368 CB 1.174 20 residues pruned to eliminate duplicates Z: 25 14.670 1.860 0.529 0.613 0.833 0.375 CB 1.135 25 residues pruned to eliminate duplicates Z: 41 23.454 1.994 0.400 0.641 0.975 0.575 CB 1.195 41 residues pruned to eliminate duplicates Z: 131 48.154 1.940 0.609 0.670 0.938 0.562 CB 1.232 125 residues pruned to eliminate duplicates Z: 14 10.131 1.845 0.281 0.752 0.769 0.385 CB 1.235 14 residues pruned to eliminate duplicates Z: 41 21.665 1.966 0.365 0.616 0.975 0.650 CB 1.174 41 residues pruned to eliminate duplicates Z: 27 17.916 1.970 0.301 0.589 0.962 0.654 CB 1.310 27 residues pruned to eliminate duplicates Z: 93 42.336 1.916 0.660 0.688 0.957 0.554 CB 1.221 93 residues pruned to eliminate duplicates Z: 62 29.973 2.030 0.426 0.620 0.934 0.656 CB 1.267 62 residues pruned to eliminate duplicates Z: 51 22.177 1.993 0.312 0.565 0.920 0.500 CB 1.224 51 residues pruned to eliminate duplicates Z: 36 18.434 2.010 0.323 0.580 0.914 0.600 CB 1.188 36 residues pruned to eliminate duplicates Z: 41 22.547 2.004 0.406 0.618 0.900 0.625 CB 1.258 41 residues pruned to eliminate duplicates Z: 24 17.016 1.976 0.307 0.582 0.957 0.609 CB 1.327 24 residues pruned to eliminate duplicates Z: 65 31.408 2.028 0.578 0.583 0.906 0.625 CB 1.250 65 residues pruned to eliminate duplicates Z: 26 18.784 1.996 0.363 0.666 0.960 0.560 CB 1.234 26 residues pruned to eliminate duplicates Z: 25 20.210 2.006 0.380 0.631 1.000 0.583 CB 1.317 25 residues pruned to eliminate duplicates Z: 42 24.520 2.004 0.415 0.615 0.976 0.585 CB 1.242 42 residues pruned to eliminate duplicates Z: 24 19.288 2.004 0.329 0.610 1.000 0.609 CB 1.361 24 residues pruned to eliminate duplicates Z: 22 19.383 2.096 0.388 0.652 0.952 0.619 CB 1.324 22 residues pruned to eliminate duplicates Z: 29 14.897 1.889 0.273 0.669 0.964 0.786 CB 1.039 29 residues pruned to eliminate duplicates Z: 15 11.583 1.972 0.192 0.618 0.929 0.714 CB 1.269 15 residues pruned to eliminate duplicates Z: 65 32.999 2.022 0.533 0.617 0.938 0.656 CB 1.271 67 residues pruned to eliminate duplicates Z: 14 17.864 2.138 0.339 0.759 0.923 0.462 CB 1.489 14 residues pruned to eliminate duplicates Z: 13 16.536 2.121 0.301 0.748 1.000 0.667 CB 1.386 13 residues pruned to eliminate duplicates Z: 14 15.438 2.093 0.199 0.686 1.000 0.615 CB 1.438 14 residues pruned to eliminate duplicates Z: 98 53.607 2.103 0.635 0.652 0.969 0.691 CB 1.418 100 residues pruned to eliminate duplicates Z: 14 15.235 1.954 0.345 0.753 0.923 0.692 CB 1.391 14 residues pruned to eliminate duplicates Z: 67 28.711 2.013 0.402 0.581 0.924 0.636 CB 1.253 67 residues pruned to eliminate duplicates Z: 44 19.830 2.001 0.304 0.576 0.930 0.488 CB 1.158 44 residues pruned to eliminate duplicates Z: 67 28.859 2.010 0.408 0.585 0.939 0.561 CB 1.232 67 residues pruned to eliminate duplicates Z: 37 28.635 2.096 0.633 0.610 0.944 0.556 CB 1.330 37 residues pruned to eliminate duplicates Z: 39 24.609 2.055 0.453 0.591 0.947 0.658 CB 1.293 39 residues pruned to eliminate duplicates Z: 65 29.236 2.011 0.534 0.568 0.906 0.547 CB 1.224 65 residues pruned to eliminate duplicates Z: 130 47.839 1.967 0.571 0.663 0.938 0.535 CB 1.249 130 residues pruned to eliminate duplicates Z: 58 24.296 2.024 0.416 0.573 0.877 0.491 CB 1.193 58 residues pruned to eliminate duplicates Z: 60 25.486 2.000 0.348 0.581 0.915 0.661 CB 1.244 60 residues pruned to eliminate duplicates Z: 20 18.237 2.098 0.461 0.635 0.895 0.737 CB 1.344 20 residues pruned to eliminate duplicates Z: 95 39.375 1.981 0.573 0.633 0.904 0.574 CB 1.273 95 residues pruned to eliminate duplicates Z: 39 22.861 2.032 0.504 0.584 0.868 0.684 CB 1.289 39 residues pruned to eliminate duplicates Z: 38 25.440 2.092 0.610 0.590 0.892 0.541 CB 1.278 38 residues pruned to eliminate duplicates Z: 65 32.263 2.023 0.600 0.599 0.922 0.609 CB 1.229 65 residues pruned to eliminate duplicates Z: 22 24.590 2.051 0.936 0.609 0.905 0.714 CB 1.346 22 residues pruned to eliminate duplicates Z: 65 31.547 2.024 0.576 0.606 0.938 0.562 CB 1.193 65 residues pruned to eliminate duplicates Z: 49 28.056 2.028 0.510 0.577 0.938 0.562 CB 1.309 49 residues pruned to eliminate duplicates Z: 22 26.706 2.064 0.839 0.669 0.952 0.571 CB 1.378 22 residues pruned to eliminate duplicates Z: 20 29.062 2.168 0.978 0.674 0.947 0.737 CB 1.398 20 residues pruned to eliminate duplicates Z: 64 27.304 1.997 0.436 0.597 0.921 0.603 CB 1.188 64 residues pruned to eliminate duplicates Z: 38 27.733 2.072 0.642 0.611 0.946 0.595 CB 1.275 38 residues pruned to eliminate duplicates Z: 33 19.614 1.847 0.362 0.615 0.938 0.812 CB 1.318 33 residues pruned to eliminate duplicates Z: 21 13.667 1.898 0.530 0.520 0.900 0.600 CB 1.147 21 residues pruned to eliminate duplicates Z: 19 11.888 1.933 0.318 0.556 0.889 0.556 CB 1.171 19 residues pruned to eliminate duplicates Z: 34 19.314 1.843 0.425 0.613 0.939 0.576 CB 1.223 34 residues pruned to eliminate duplicates Z: 30 17.113 1.885 0.433 0.567 0.897 0.655 CB 1.230 30 residues pruned to eliminate duplicates Z: 62 36.818 1.943 0.663 0.724 0.918 0.607 CB 1.298 62 residues pruned to eliminate duplicates Z: 13 11.973 1.827 0.565 0.714 0.917 0.833 CB 1.086 13 residues pruned to eliminate duplicates Z: 52 34.333 1.965 0.692 0.709 0.922 0.588 CB 1.298 52 residues pruned to eliminate duplicates Z: 50 34.764 1.942 0.708 0.681 0.939 0.490 CB 1.351 50 residues pruned to eliminate duplicates Z: 92 37.600 1.934 0.464 0.697 0.901 0.637 CB 1.291 92 residues pruned to eliminate duplicates Z: 18 16.791 2.001 0.373 0.623 0.941 0.706 CB 1.402 18 residues pruned to eliminate duplicates Z: 33 19.674 1.843 0.351 0.625 0.938 0.781 CB 1.324 33 residues pruned to eliminate duplicates Z: 29 21.881 1.917 0.537 0.629 0.964 0.679 CB 1.289 29 residues pruned to eliminate duplicates Z: 32 21.230 1.830 0.509 0.603 0.935 0.581 CB 1.337 32 residues pruned to eliminate duplicates Z: 51 37.799 1.950 0.791 0.751 0.940 0.560 CB 1.302 51 residues pruned to eliminate duplicates Z: 29 21.770 1.916 0.504 0.665 0.964 0.679 CB 1.271 29 residues pruned to eliminate duplicates Z: 32 20.368 1.853 0.552 0.632 0.871 0.548 CB 1.290 32 residues pruned to eliminate duplicates Z: 30 18.220 1.884 0.314 0.648 0.897 0.655 CB 1.328 30 residues pruned to eliminate duplicates Z: 21 15.199 1.869 0.510 0.592 0.950 0.550 CB 1.161 21 residues pruned to eliminate duplicates Z: 32 20.555 1.828 0.504 0.605 0.903 0.516 CB 1.345 32 residues pruned to eliminate duplicates Z: 30 23.858 1.926 0.517 0.647 0.966 0.690 CB 1.369 30 residues pruned to eliminate duplicates Z: 30 22.459 1.925 0.535 0.686 0.897 0.690 CB 1.327 30 residues pruned to eliminate duplicates Z: 33 21.941 1.874 0.514 0.673 0.938 0.750 CB 1.243 33 residues pruned to eliminate duplicates Z: 48 23.007 1.860 0.561 0.594 0.894 0.532 CB 1.182 48 residues pruned to eliminate duplicates Z: 61 32.975 1.880 0.662 0.670 0.917 0.600 CB 1.270 61 residues pruned to eliminate duplicates Z: 11 14.599 1.794 0.638 0.930 0.900 0.700 CB 1.221 11 residues pruned to eliminate duplicates Z: 32 27.635 1.887 0.639 0.732 1.000 0.742 CB 1.302 32 residues pruned to eliminate duplicates Z: 34 22.622 1.839 0.554 0.652 0.970 0.636 CB 1.233 34 residues pruned to eliminate duplicates Z: 39 19.663 1.903 0.510 0.566 0.816 0.474 CB 1.276 39 residues pruned to eliminate duplicates Z: 22 17.056 1.860 0.419 0.721 0.905 0.524 CB 1.277 22 residues pruned to eliminate duplicates Z: 20 18.376 1.952 0.345 0.715 0.947 0.684 CB 1.395 20 residues pruned to eliminate duplicates Z: 19 20.605 1.994 0.428 0.745 1.000 0.500 CB 1.370 19 residues pruned to eliminate duplicates Z: 19 19.485 1.985 0.317 0.741 1.000 0.667 CB 1.415 19 residues pruned to eliminate duplicates Z: 19 20.748 1.998 0.402 0.760 1.000 0.778 CB 1.386 19 residues pruned to eliminate duplicates Z: 20 18.966 1.925 0.361 0.748 0.947 0.632 CB 1.405 20 residues pruned to eliminate duplicates Z: 19 19.430 2.014 0.361 0.756 0.944 0.667 CB 1.407 19 residues pruned to eliminate duplicates Z: 18 12.521 1.826 0.406 0.614 0.765 0.529 CB 1.388 18 residues pruned to eliminate duplicates Z: 19 18.697 1.995 0.258 0.760 1.000 0.667 CB 1.393 19 residues pruned to eliminate duplicates Z: 19 20.481 2.000 0.324 0.766 0.944 0.611 CB 1.526 19 residues pruned to eliminate duplicates Z: 20 17.211 1.945 0.424 0.703 0.842 0.737 CB 1.408 20 residues pruned to eliminate duplicates Z: 22 18.486 1.930 0.380 0.719 0.905 0.524 CB 1.373 22 residues pruned to eliminate duplicates Z: 19 19.859 2.010 0.292 0.716 1.000 0.556 CB 1.482 19 residues pruned to eliminate duplicates Z: 19 20.425 1.987 0.437 0.739 0.944 0.667 CB 1.440 19 residues pruned to eliminate duplicates Z: 45 24.707 1.989 0.473 0.605 0.886 0.614 CB 1.298 45 residues pruned to eliminate duplicates Z: 6 6.312 1.789 0.014 0.657 1.000 0.600 CB 1.345 6 residues pruned to eliminate duplicates Z: 6 11.187 1.788 0.644 0.804 1.000 0.600 CB 1.306 6 residues pruned to eliminate duplicates Z: 6 8.633 1.758 0.365 0.800 1.000 0.600 CB 1.238 6 residues pruned to eliminate duplicates Z: 10 8.787 1.844 -0.026 0.902 1.000 0.778 CB 1.164 Z: 48 45.657 2.181 0.712 0.733 0.957 0.766 CB 1.511 58 residues pruned to eliminate duplicates Z: 48 54.769 2.271 0.657 0.815 1.000 0.894 CB 1.614 48 residues pruned to eliminate duplicates Z: 50 60.014 2.242 0.796 0.801 1.000 0.776 CB 1.636 50 residues pruned to eliminate duplicates Z: 50 51.054 2.242 0.667 0.781 0.959 0.796 CB 1.589 50 residues pruned to eliminate duplicates Z: 11 11.167 1.851 0.246 0.903 1.000 0.800 CB 1.091 11 residues pruned to eliminate duplicates Z: 9 10.096 1.913 0.401 0.764 0.875 0.750 CB 1.204 9 residues pruned to eliminate duplicates Z: 52 50.100 2.211 0.699 0.747 0.980 0.706 CB 1.528 52 residues pruned to eliminate duplicates Z: 51 55.440 2.243 0.808 0.791 0.980 0.700 CB 1.528 51 residues pruned to eliminate duplicates Z: 112 54.940 2.107 0.630 0.662 0.937 0.631 CB 1.395 112 residues pruned to eliminate duplicates Z: 49 58.024 2.271 0.761 0.808 1.000 0.750 CB 1.601 49 residues pruned to eliminate duplicates Z: 53 50.770 2.195 0.718 0.745 0.981 0.712 CB 1.530 53 residues pruned to eliminate duplicates Z: 52 56.995 2.202 0.781 0.806 1.000 0.804 CB 1.558 52 residues pruned to eliminate duplicates Z: 49 48.792 2.260 0.653 0.801 0.917 0.792 CB 1.581 49 residues pruned to eliminate duplicates Z: 55 50.136 2.165 0.791 0.735 0.963 0.667 CB 1.480 55 residues pruned to eliminate duplicates Z: 56 49.264 2.160 0.773 0.731 0.927 0.636 CB 1.520 56 residues pruned to eliminate duplicates Z: 51 54.440 2.189 0.896 0.790 0.960 0.720 CB 1.499 51 residues pruned to eliminate duplicates Z: 49 53.134 2.262 0.745 0.816 0.938 0.750 CB 1.574 49 residues pruned to eliminate duplicates Z: 50 57.433 2.214 0.882 0.789 1.000 0.612 CB 1.527 50 residues pruned to eliminate duplicates Z: 51 52.398 2.210 0.807 0.779 0.940 0.600 CB 1.543 51 residues pruned to eliminate duplicates Z: 51 51.588 2.215 0.787 0.723 0.980 0.640 CB 1.537 51 residues pruned to eliminate duplicates Z: 52 53.463 2.205 0.788 0.770 0.961 0.627 CB 1.556 52 residues pruned to eliminate duplicates Z: 49 56.030 2.262 0.849 0.799 0.979 0.729 CB 1.519 49 residues pruned to eliminate duplicates Z: 52 57.050 2.209 0.853 0.811 0.961 0.627 CB 1.549 52 residues pruned to eliminate duplicates Z: 49 56.389 2.274 0.817 0.807 0.958 0.708 CB 1.573 49 residues pruned to eliminate duplicates Z: 50 44.925 2.178 0.860 0.679 0.898 0.653 CB 1.497 50 residues pruned to eliminate duplicates Z: 39 62.197 2.368 0.985 0.804 0.974 0.711 CB 1.691 39 residues pruned to eliminate duplicates Z: 54 52.690 2.190 0.841 0.749 0.962 0.736 CB 1.493 54 residues pruned to eliminate duplicates Z: 51 56.144 2.219 0.935 0.776 0.940 0.700 CB 1.541 51 residues pruned to eliminate duplicates Z: 50 56.454 2.217 0.896 0.790 0.959 0.592 CB 1.550 50 residues pruned to eliminate duplicates Z: 50 52.002 2.239 0.848 0.758 0.939 0.653 CB 1.520 50 residues pruned to eliminate duplicates Z: 49 59.346 2.265 0.899 0.808 0.979 0.729 CB 1.554 49 residues pruned to eliminate duplicates Z: 47 63.344 2.302 0.952 0.815 0.978 0.652 CB 1.616 47 residues pruned to eliminate duplicates Z: 52 52.851 2.212 0.755 0.804 0.941 0.706 CB 1.553 52 residues pruned to eliminate duplicates Z: 51 56.663 2.223 0.930 0.743 0.960 0.680 CB 1.565 51 residues pruned to eliminate duplicates Z: 49 58.765 2.249 0.903 0.790 0.979 0.667 CB 1.569 49 residues pruned to eliminate duplicates Z: 48 56.649 2.278 0.802 0.818 0.957 0.702 CB 1.595 48 residues pruned to eliminate duplicates Z: 49 56.566 2.256 0.954 0.799 0.938 0.625 CB 1.521 49 residues pruned to eliminate duplicates Z: 50 54.628 2.252 0.790 0.777 0.959 0.735 CB 1.581 50 residues pruned to eliminate duplicates Z: 52 53.496 2.206 0.763 0.803 0.961 0.745 CB 1.538 52 residues pruned to eliminate duplicates Z: 46 59.608 2.320 0.902 0.813 0.956 0.711 CB 1.606 46 residues pruned to eliminate duplicates Z: 49 55.446 2.270 0.921 0.808 0.938 0.688 CB 1.497 49 residues pruned to eliminate duplicates Z: 49 62.261 2.263 0.931 0.819 1.000 0.583 CB 1.560 49 residues pruned to eliminate duplicates Z: 49 59.719 2.263 0.993 0.826 0.958 0.646 CB 1.504 49 residues pruned to eliminate duplicates Z: 51 54.662 2.187 1.013 0.788 0.920 0.700 CB 1.482 51 residues pruned to eliminate duplicates Z: 38 58.311 2.394 0.976 0.799 0.919 0.730 CB 1.697 38 residues pruned to eliminate duplicates Z: 67 46.961 2.128 0.549 0.748 0.970 0.788 CB 1.449 67 residues pruned to eliminate duplicates Z: 66 46.311 2.149 0.545 0.720 0.954 0.785 CB 1.487 66 residues pruned to eliminate duplicates Z: 34 38.166 2.211 0.389 0.862 1.000 0.848 CB 1.588 34 residues pruned to eliminate duplicates Z: 66 50.631 2.150 0.654 0.743 0.985 0.769 CB 1.444 66 residues pruned to eliminate duplicates Z: 66 46.449 2.123 0.576 0.733 0.985 0.738 CB 1.418 66 residues pruned to eliminate duplicates Z: 66 40.500 2.111 0.496 0.747 0.923 0.785 CB 1.382 66 residues pruned to eliminate duplicates Z: 66 43.189 2.133 0.438 0.746 0.969 0.769 CB 1.446 66 residues pruned to eliminate duplicates Z: 66 52.434 2.152 0.652 0.741 1.000 0.754 CB 1.475 66 residues pruned to eliminate duplicates Z: 66 48.655 2.167 0.595 0.744 0.954 0.800 CB 1.471 66 residues pruned to eliminate duplicates Z: 66 49.634 2.164 0.614 0.746 0.969 0.769 CB 1.459 66 residues pruned to eliminate duplicates Z: 67 46.406 2.130 0.538 0.722 0.985 0.788 CB 1.450 67 residues pruned to eliminate duplicates Z: 66 45.264 2.152 0.490 0.748 0.954 0.800 CB 1.471 66 residues pruned to eliminate duplicates Z: 66 46.262 2.157 0.584 0.727 0.954 0.785 CB 1.435 66 residues pruned to eliminate duplicates Z: 66 44.690 2.147 0.515 0.729 0.969 0.738 CB 1.431 66 residues pruned to eliminate duplicates Z: 36 36.835 2.172 0.606 0.821 0.943 0.686 CB 1.433 36 residues pruned to eliminate duplicates Z: 66 47.527 2.158 0.605 0.728 0.954 0.738 CB 1.453 66 residues pruned to eliminate duplicates Z: 65 50.862 2.186 0.667 0.730 0.953 0.766 CB 1.489 65 residues pruned to eliminate duplicates Z: 66 48.677 2.142 0.748 0.745 0.908 0.646 CB 1.427 66 residues pruned to eliminate duplicates Z: 66 50.740 2.158 0.686 0.737 0.969 0.662 CB 1.442 66 residues pruned to eliminate duplicates Z: 66 50.059 2.160 0.636 0.734 0.954 0.738 CB 1.493 66 residues pruned to eliminate duplicates Z: 65 51.198 2.177 0.687 0.721 0.984 0.672 CB 1.450 65 residues pruned to eliminate duplicates Z: 66 51.180 2.167 0.687 0.734 0.954 0.708 CB 1.476 66 residues pruned to eliminate duplicates Z: 66 49.170 2.136 0.721 0.738 0.985 0.646 CB 1.362 66 residues pruned to eliminate duplicates Z: 66 49.458 2.160 0.677 0.738 0.954 0.677 CB 1.434 66 residues pruned to eliminate duplicates Z: 54 44.064 2.209 0.607 0.721 0.943 0.528 CB 1.480 54 residues pruned to eliminate duplicates Z: 66 53.014 2.150 0.700 0.737 1.000 0.692 CB 1.455 66 residues pruned to eliminate duplicates Z: 67 52.890 2.150 0.720 0.737 0.985 0.591 CB 1.445 67 residues pruned to eliminate duplicates Z: 66 55.507 2.167 0.769 0.743 0.985 0.662 CB 1.467 67 residues pruned to eliminate duplicates Z: 23 43.616 2.266 1.168 0.915 0.955 0.409 CB 1.401 23 residues pruned to eliminate duplicates Z: 49 45.811 2.195 0.685 0.786 0.979 0.708 CB 1.420 49 residues pruned to eliminate duplicates Z: 65 53.333 2.167 0.707 0.734 1.000 0.656 CB 1.460 65 residues pruned to eliminate duplicates Z: 67 50.677 2.140 0.688 0.745 0.970 0.727 CB 1.431 67 residues pruned to eliminate duplicates Z: 65 50.506 2.170 0.689 0.744 0.938 0.719 CB 1.477 66 residues pruned to eliminate duplicates Z: 35 41.554 2.185 0.763 0.804 0.971 0.588 CB 1.461 35 residues pruned to eliminate duplicates Z: 67 49.089 2.142 0.722 0.740 0.939 0.697 CB 1.406 67 residues pruned to eliminate duplicates Z: 67 48.889 2.158 0.603 0.753 0.939 0.636 CB 1.478 67 residues pruned to eliminate duplicates Z: 66 54.250 2.165 0.747 0.738 0.985 0.600 CB 1.460 66 residues pruned to eliminate duplicates Z: 67 50.356 2.142 0.719 0.734 0.955 0.652 CB 1.429 67 residues pruned to eliminate duplicates Z: 54 49.631 2.205 0.806 0.716 0.943 0.566 CB 1.492 54 residues pruned to eliminate duplicates Z: 66 50.333 2.148 0.726 0.725 0.969 0.677 CB 1.418 65 residues pruned to eliminate duplicates Z: 18 20.764 2.211 0.593 0.623 0.882 0.706 CB 1.443 18 residues pruned to eliminate duplicates Z: 67 56.199 2.145 0.880 0.733 0.970 0.621 CB 1.434 67 residues pruned to eliminate duplicates Z: 14 20.852 2.130 0.592 0.773 0.923 0.692 CB 1.451 14 residues pruned to eliminate duplicates Z: 66 52.157 2.156 0.766 0.734 0.954 0.646 CB 1.443 66 residues pruned to eliminate duplicates Z: 65 47.873 2.173 0.694 0.740 0.891 0.547 CB 1.472 65 residues pruned to eliminate duplicates Z: 66 50.752 2.163 0.723 0.726 0.938 0.615 CB 1.469 66 residues pruned to eliminate duplicates Z: 66 52.868 2.169 0.691 0.755 0.969 0.692 CB 1.470 66 residues pruned to eliminate duplicates Z: 64 55.189 2.190 0.751 0.727 0.968 0.651 CB 1.526 64 residues pruned to eliminate duplicates Z: 66 52.058 2.154 0.687 0.760 1.000 0.600 CB 1.410 66 residues pruned to eliminate duplicates Z: 67 52.289 2.140 0.716 0.738 0.970 0.530 CB 1.460 67 residues pruned to eliminate duplicates Z: 21 22.711 2.104 0.816 0.582 0.900 0.550 CB 1.365 21 residues pruned to eliminate duplicates Z: 65 55.762 2.181 0.737 0.757 1.000 0.719 CB 1.464 65 residues pruned to eliminate duplicates Z: 33 34.666 2.114 0.714 0.683 1.000 0.688 CB 1.429 33 residues pruned to eliminate duplicates Z: 21 22.703 1.977 0.733 0.635 0.950 0.550 CB 1.374 21 residues pruned to eliminate duplicates Z: 66 59.238 2.152 0.810 0.768 0.985 0.631 CB 1.510 67 residues pruned to eliminate duplicates Z: 11 15.310 1.899 0.546 0.915 0.900 0.500 CB 1.295 11 residues pruned to eliminate duplicates Z: 13 18.448 1.731 0.670 0.842 1.000 0.500 CB 1.373 12 residues pruned to eliminate duplicates Z: 11 22.000 1.935 0.696 0.915 1.000 0.500 CB 1.499 11 residues pruned to eliminate duplicates Z: 65 50.619 2.164 0.708 0.731 0.953 0.625 CB 1.460 65 residues pruned to eliminate duplicates Z: 32 34.033 2.096 0.777 0.684 0.968 0.613 CB 1.432 32 residues pruned to eliminate duplicates Z: 67 56.440 2.138 0.805 0.747 0.985 0.606 CB 1.466 67 residues pruned to eliminate duplicates Z: 66 54.106 2.163 0.837 0.756 0.938 0.631 CB 1.433 66 residues pruned to eliminate duplicates Z: 54 51.269 2.206 0.875 0.657 0.925 0.453 CB 1.592 54 residues pruned to eliminate duplicates Z: 22 14.582 1.985 0.444 0.461 0.857 0.524 CB 1.347 22 residues pruned to eliminate duplicates Z: 47 31.087 2.005 0.516 0.660 0.957 0.630 CB 1.360 47 residues pruned to eliminate duplicates Z: 37 23.061 1.930 0.421 0.612 0.972 0.583 CB 1.296 37 residues pruned to eliminate duplicates Z: 28 21.585 1.963 0.285 0.657 0.963 0.630 CB 1.478 28 residues pruned to eliminate duplicates Z: 35 25.113 1.987 0.390 0.665 0.941 0.588 CB 1.421 35 residues pruned to eliminate duplicates Z: 35 27.127 2.007 0.415 0.654 0.971 0.647 CB 1.463 35 residues pruned to eliminate duplicates Z: 36 24.771 1.980 0.335 0.631 1.000 0.686 CB 1.401 36 residues pruned to eliminate duplicates Z: 22 14.760 1.917 0.309 0.451 0.952 0.524 CB 1.417 22 residues pruned to eliminate duplicates Z: 111 78.854 2.295 0.767 0.674 0.945 0.627 CB 1.671 111 residues pruned to eliminate duplicates Z: 93 81.771 2.358 0.827 0.645 0.957 0.685 CB 1.808 93 residues pruned to eliminate duplicates Z: 54 41.034 2.117 0.652 0.629 0.943 0.604 CB 1.513 54 residues pruned to eliminate duplicates Z: 111 76.835 2.265 0.709 0.671 0.955 0.582 CB 1.692 111 residues pruned to eliminate duplicates Z: 105 78.337 2.331 0.768 0.661 0.923 0.625 CB 1.739 105 residues pruned to eliminate duplicates Z: 60 42.361 2.182 0.630 0.585 0.915 0.661 CB 1.562 60 residues pruned to eliminate duplicates Z: 78 88.738 2.430 1.041 0.683 0.948 0.701 CB 1.817 78 residues pruned to eliminate duplicates Z: 94 86.642 2.365 0.947 0.653 0.946 0.656 CB 1.788 94 residues pruned to eliminate duplicates Z: 111 80.080 2.304 0.777 0.673 0.927 0.627 CB 1.714 111 residues pruned to eliminate duplicates Z: 18 37.444 2.274 1.419 0.642 0.882 0.471 CA 1.639 18 residues pruned to eliminate duplicates Z: 111 81.111 2.302 0.766 0.675 0.936 0.627 CB 1.728 111 residues pruned to eliminate duplicates Z: 90 86.395 2.402 0.937 0.677 0.933 0.618 CB 1.794 90 residues pruned to eliminate duplicates Z: 74 83.314 2.422 0.959 0.689 0.918 0.603 CB 1.883 74 residues pruned to eliminate duplicates Z: 92 80.640 2.382 0.839 0.648 0.934 0.593 CB 1.800 92 residues pruned to eliminate duplicates Z: 111 80.680 2.309 0.757 0.670 0.945 0.591 CB 1.715 111 residues pruned to eliminate duplicates Z: 55 38.105 2.115 0.558 0.629 0.907 0.519 CB 1.537 55 residues pruned to eliminate duplicates Z: 114 76.500 2.276 0.710 0.657 0.938 0.655 CB 1.703 114 residues pruned to eliminate duplicates Z: 56 37.825 2.102 0.562 0.623 0.945 0.673 CB 1.464 56 residues pruned to eliminate duplicates Z: 31 24.785 2.222 0.557 0.441 0.833 0.433 CB 1.668 31 residues pruned to eliminate duplicates Z: 53 40.262 2.122 0.596 0.654 0.923 0.615 CB 1.548 53 residues pruned to eliminate duplicates Z: 90 80.213 2.394 0.745 0.699 0.944 0.652 CB 1.799 90 residues pruned to eliminate duplicates Z: 110 78.383 2.314 0.761 0.668 0.927 0.651 CB 1.702 110 residues pruned to eliminate duplicates Z: 110 78.663 2.320 0.700 0.660 0.954 0.651 CB 1.727 110 residues pruned to eliminate duplicates Z: 112 77.924 2.274 0.774 0.665 0.928 0.676 CB 1.695 112 residues pruned to eliminate duplicates Z: 76 84.754 2.447 0.926 0.700 0.933 0.667 CB 1.853 76 residues pruned to eliminate duplicates Z: 93 81.381 2.343 0.863 0.668 0.924 0.696 CB 1.801 93 residues pruned to eliminate duplicates Z: 111 82.875 2.308 0.769 0.669 0.955 0.627 CB 1.734 111 residues pruned to eliminate duplicates Z: 75 82.037 2.432 0.900 0.685 0.932 0.716 CB 1.868 75 residues pruned to eliminate duplicates Z: 111 82.439 2.299 0.781 0.677 0.955 0.682 CB 1.709 111 residues pruned to eliminate duplicates Z: 111 81.667 2.276 0.762 0.680 0.964 0.673 CB 1.707 111 residues pruned to eliminate duplicates Z: 92 76.851 2.333 0.807 0.658 0.923 0.593 CB 1.787 92 residues pruned to eliminate duplicates Z: 93 77.411 2.344 0.820 0.669 0.913 0.598 CB 1.773 93 residues pruned to eliminate duplicates Z: 114 76.897 2.265 0.717 0.669 0.938 0.681 CB 1.695 114 residues pruned to eliminate duplicates Z: 73 47.938 2.164 0.644 0.605 0.903 0.542 CB 1.591 73 residues pruned to eliminate duplicates Z: 51 79.176 2.476 0.934 0.765 0.960 0.620 CB 1.926 51 residues pruned to eliminate duplicates Z: 108 70.742 2.296 0.667 0.622 0.944 0.570 CB 1.687 108 residues pruned to eliminate duplicates Z: 72 47.743 2.185 0.670 0.596 0.901 0.662 CB 1.571 72 residues pruned to eliminate duplicates Z: 111 76.817 2.296 0.735 0.666 0.918 0.645 CB 1.717 111 residues pruned to eliminate duplicates Z: 111 80.255 2.302 0.775 0.665 0.936 0.618 CB 1.718 111 residues pruned to eliminate duplicates Z: 111 83.029 2.308 0.771 0.673 0.955 0.627 CB 1.729 111 residues pruned to eliminate duplicates Z: 111 81.579 2.301 0.731 0.681 0.955 0.609 CB 1.733 111 residues pruned to eliminate duplicates Z: 93 82.227 2.353 0.852 0.672 0.946 0.620 CB 1.775 93 residues pruned to eliminate duplicates Z: 110 78.126 2.317 0.770 0.658 0.908 0.587 CB 1.734 110 residues pruned to eliminate duplicates Z: 42 67.328 2.418 0.968 0.766 0.927 0.634 CB 1.884 42 residues pruned to eliminate duplicates Z: 76 85.266 2.438 0.916 0.700 0.947 0.693 CB 1.856 76 residues pruned to eliminate duplicates Z: 92 75.659 2.366 0.789 0.644 0.923 0.582 CB 1.774 92 residues pruned to eliminate duplicates Z: 42 68.523 2.429 0.966 0.781 0.927 0.732 CB 1.888 42 residues pruned to eliminate duplicates Z: 38 47.808 2.330 0.919 0.688 0.811 0.595 CB 1.825 38 residues pruned to eliminate duplicates Z: 40 46.227 2.266 0.900 0.646 0.923 0.615 CB 1.625 40 residues pruned to eliminate duplicates Z: 38 50.267 2.349 0.913 0.662 0.865 0.595 CB 1.830 38 residues pruned to eliminate duplicates Z: 74 83.454 2.418 0.912 0.721 0.932 0.630 CB 1.858 74 residues pruned to eliminate duplicates Z: 76 89.834 2.437 1.007 0.697 0.947 0.613 CB 1.871 76 residues pruned to eliminate duplicates Z: 111 76.725 2.298 0.727 0.651 0.945 0.591 CB 1.695 111 residues pruned to eliminate duplicates Z: 111 78.619 2.293 0.723 0.670 0.945 0.591 CB 1.714 111 residues pruned to eliminate duplicates Z: 94 78.664 2.338 0.782 0.653 0.968 0.548 CB 1.755 94 residues pruned to eliminate duplicates Z: 108 76.918 2.322 0.729 0.668 0.916 0.598 CB 1.733 108 residues pruned to eliminate duplicates Z: 111 83.169 2.276 0.821 0.665 0.964 0.618 CB 1.705 111 residues pruned to eliminate duplicates Z: 38 48.969 2.335 0.837 0.673 0.892 0.703 CB 1.793 23 residues pruned to eliminate duplicates Z: 21 69.429 2.474 1.387 0.898 1.000 0.650 CB 1.881 21 residues pruned to eliminate duplicates Z: 41 74.491 2.455 1.093 0.792 0.950 0.575 CB 1.868 41 residues pruned to eliminate duplicates Z: 38 55.200 2.354 0.973 0.717 0.919 0.649 CB 1.748 38 residues pruned to eliminate duplicates Z: 51 85.049 2.453 1.008 0.796 0.980 0.600 CB 1.923 51 residues pruned to eliminate duplicates Z: 75 72.161 2.352 0.974 0.657 0.919 0.527 CB 1.700 75 residues pruned to eliminate duplicates Z: 37 57.607 2.412 0.972 0.721 0.917 0.528 CB 1.804 37 residues pruned to eliminate duplicates Z: 76 86.643 2.448 0.899 0.706 0.960 0.693 CB 1.860 76 residues pruned to eliminate duplicates Z: 91 81.989 2.356 0.847 0.685 0.944 0.633 CB 1.775 91 residues pruned to eliminate duplicates Z: 109 74.286 2.259 0.762 0.631 0.926 0.583 CB 1.714 109 residues pruned to eliminate duplicates Z: 112 81.060 2.277 0.760 0.671 0.964 0.586 CB 1.701 112 residues pruned to eliminate duplicates Z: 81 76.122 2.389 0.973 0.666 0.887 0.488 CB 1.744 81 residues pruned to eliminate duplicates Z: 39 52.125 2.295 1.064 0.657 0.895 0.526 CB 1.724 39 residues pruned to eliminate duplicates Z: 38 50.870 2.318 0.963 0.652 0.919 0.541 CB 1.737 38 residues pruned to eliminate duplicates Z: 75 88.133 2.434 1.019 0.682 0.959 0.446 CB 1.838 75 residues pruned to eliminate duplicates Z: 92 83.720 2.356 0.851 0.680 0.945 0.560 CB 1.805 92 residues pruned to eliminate duplicates Z: 38 61.597 2.326 1.139 0.657 0.973 0.568 CB 1.807 38 residues pruned to eliminate duplicates Z: 77 88.555 2.424 1.052 0.673 0.961 0.632 CB 1.813 77 residues pruned to eliminate duplicates Z: 38 58.631 2.319 1.162 0.702 0.919 0.459 CB 1.741 38 residues pruned to eliminate duplicates Z: 9 17.194 2.327 0.558 0.699 0.875 0.500 CB 1.598 9 residues pruned to eliminate duplicates Z: 111 83.765 2.290 0.855 0.672 0.945 0.673 CB 1.697 111 residues pruned to eliminate duplicates Z: 22 36.239 2.259 0.700 0.716 0.952 0.667 CB 1.779 22 residues pruned to eliminate duplicates Z: 14 10.574 1.916 0.487 0.568 0.846 0.462 CB 1.139 14 residues pruned to eliminate duplicates Z: 18 10.386 1.878 0.422 0.495 0.824 0.294 CB 1.152 18 residues pruned to eliminate duplicates Z: 82 39.774 1.936 0.669 0.695 0.901 0.580 CB 1.270 82 residues pruned to eliminate duplicates Z: 8 6.648 1.798 0.339 0.859 0.714 0.429 CB 1.074 8 residues pruned to eliminate duplicates Z: 7 7.805 1.874 0.393 0.711 1.000 0.667 CB 1.008 7 residues pruned to eliminate duplicates Z: 10 11.380 1.867 0.322 0.787 0.889 0.556 CB 1.344 10 residues pruned to eliminate duplicates Z: 63 34.766 1.951 0.493 0.729 0.968 0.677 CB 1.275 63 residues pruned to eliminate duplicates Z: 10 13.214 1.908 0.284 0.812 1.000 0.778 CB 1.371 10 residues pruned to eliminate duplicates Z: 33 30.771 1.949 0.580 0.831 1.000 0.781 CB 1.327 33 residues pruned to eliminate duplicates Z: 53 32.624 1.943 0.637 0.712 0.942 0.615 CB 1.245 53 residues pruned to eliminate duplicates Z: 30 31.628 1.979 0.670 0.823 0.966 0.828 CB 1.391 30 residues pruned to eliminate duplicates Z: 11 14.754 1.777 0.597 0.895 1.000 0.800 CB 1.179 11 residues pruned to eliminate duplicates Z: 32 30.951 1.955 0.634 0.859 0.935 0.774 CB 1.369 32 residues pruned to eliminate duplicates Z: 29 20.628 1.867 0.466 0.752 0.893 0.714 CB 1.274 29 residues pruned to eliminate duplicates Z: 31 16.717 1.809 0.274 0.738 0.833 0.700 CB 1.283 31 residues pruned to eliminate duplicates Z: 55 30.757 1.886 0.486 0.728 0.944 0.722 CB 1.287 55 residues pruned to eliminate duplicates Z: 32 32.382 1.976 0.669 0.836 0.968 0.806 CB 1.365 32 residues pruned to eliminate duplicates Z: 32 31.993 1.977 0.626 0.845 1.000 0.806 CB 1.329 32 residues pruned to eliminate duplicates Z: 53 30.778 1.948 0.547 0.729 0.942 0.635 CB 1.223 53 residues pruned to eliminate duplicates Z: 32 30.022 1.972 0.583 0.823 0.968 0.645 CB 1.349 32 residues pruned to eliminate duplicates Z: 22 29.326 1.955 0.687 0.943 1.000 0.667 CB 1.345 22 residues pruned to eliminate duplicates Z: 36 31.075 1.931 0.651 0.788 0.971 0.629 CB 1.317 36 residues pruned to eliminate duplicates Z: 31 32.894 1.981 0.711 0.828 1.000 0.567 CB 1.334 31 residues pruned to eliminate duplicates Z: 21 28.307 1.988 0.793 0.945 0.950 0.650 CB 1.294 21 residues pruned to eliminate duplicates Z: 38 31.921 1.881 0.824 0.759 0.973 0.595 CB 1.249 38 residues pruned to eliminate duplicates Z: 63 33.875 1.920 0.645 0.712 0.903 0.613 CB 1.244 63 residues pruned to eliminate duplicates Z: 32 36.549 1.991 0.903 0.833 0.968 0.516 CB 1.343 32 residues pruned to eliminate duplicates Z: 33 33.545 1.963 0.736 0.862 1.000 0.594 CB 1.278 33 residues pruned to eliminate duplicates Z: 51 36.858 1.964 0.802 0.717 0.960 0.480 CB 1.261 51 residues pruned to eliminate duplicates Z: 63 35.375 1.923 0.595 0.723 0.952 0.532 CB 1.259 63 residues pruned to eliminate duplicates Z: 31 34.317 1.984 0.827 0.862 0.933 0.467 CB 1.360 31 residues pruned to eliminate duplicates Z: 32 35.885 1.975 0.827 0.846 1.000 0.452 CB 1.328 32 residues pruned to eliminate duplicates Z: 52 33.456 1.929 0.669 0.701 0.961 0.471 CB 1.261 52 residues pruned to eliminate duplicates Z: 32 37.247 1.986 0.941 0.831 0.968 0.516 CB 1.347 32 residues pruned to eliminate duplicates Z: 51 33.912 1.970 0.702 0.737 0.920 0.460 CB 1.257 51 residues pruned to eliminate duplicates 355 residues left after pruning, divided into chains as follows: A: 67 B: 110 C: 178 CC for partial structure against native data = 39.60 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.514, Connect. = 0.758 for dens.mod. cycle 1 = 0.300, Contrast = 0.581, Connect. = 0.781 for dens.mod. cycle 2 = 0.300, Contrast = 0.697, Connect. = 0.806 for dens.mod. cycle 3 = 0.300, Contrast = 0.706, Connect. = 0.807 for dens.mod. cycle 4 = 0.300, Contrast = 0.717, Connect. = 0.809 for dens.mod. cycle 5 = 0.300, Contrast = 0.723, Connect. = 0.810 for dens.mod. cycle 6 = 0.300, Contrast = 0.728, Connect. = 0.811 for dens.mod. cycle 7 = 0.300, Contrast = 0.732, Connect. = 0.812 for dens.mod. cycle 8 = 0.300, Contrast = 0.734, Connect. = 0.812 for dens.mod. cycle 9 = 0.300, Contrast = 0.736, Connect. = 0.813 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1860 peaks > 0.5 sigma used to seed fragment search Space for about 486 unique residues taking solvent into account 442 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 70.235 2.486 1.345 0.941 1.000 0.800 CA 1.870 B: 21 68.141 2.479 1.314 0.926 1.000 0.850 CA 1.863 21 residues pruned to eliminate duplicates C: 21 57.577 2.466 1.040 0.880 1.000 0.800 CA 1.855 21 residues pruned to eliminate duplicates D: 20 69.520 2.546 1.311 0.927 1.000 0.789 CA 1.899 20 residues pruned to eliminate duplicates E: 19 70.892 2.594 1.246 0.945 1.000 0.833 CA 1.985 20 residues pruned to eliminate duplicates F: 20 57.389 2.475 1.009 0.920 1.000 0.947 CA 1.865 20 residues pruned to eliminate duplicates G: 12 23.697 2.261 0.576 0.822 0.909 0.636 CB 1.669 H: 17 29.036 2.167 0.503 0.862 0.938 0.438 CB 1.746 12 residues pruned to eliminate duplicates I: 20 51.471 2.477 0.997 0.891 0.947 0.842 CA 1.811 20 residues pruned to eliminate duplicates J: 20 69.365 2.539 1.275 0.959 1.000 0.895 CA 1.888 19 residues pruned to eliminate duplicates K: 21 57.860 2.446 1.080 0.928 1.000 0.850 CA 1.781 21 residues pruned to eliminate duplicates L: 19 64.583 2.583 1.098 0.943 1.000 0.778 CA 1.946 19 residues pruned to eliminate duplicates M: 13 34.044 2.237 0.744 0.889 1.000 0.667 CA 1.813 N: 22 47.263 2.278 1.054 0.915 0.905 0.762 CA 1.723 O: 13 29.286 2.268 0.641 0.867 0.833 0.583 CB 1.995 13 residues pruned to eliminate duplicates P: 20 65.039 2.513 1.251 0.954 0.947 0.737 CA 1.915 20 residues pruned to eliminate duplicates Q: 21 67.607 2.514 1.253 0.928 1.000 0.650 CA 1.870 21 residues pruned to eliminate duplicates R: 18 24.704 2.100 0.321 0.851 0.941 0.706 CB 1.699 18 residues pruned to eliminate duplicates S: 13 30.436 2.238 0.606 0.894 0.917 0.583 CA 1.913 13 residues pruned to eliminate duplicates T: 23 44.422 2.306 0.894 0.942 1.000 0.591 CB 1.504 U: 20 49.892 2.362 0.834 0.936 1.000 0.947 CA 1.840 21 residues pruned to eliminate duplicates V: 13 30.789 2.244 0.537 0.866 1.000 0.833 O 1.887 13 residues pruned to eliminate duplicates W: 13 21.827 2.322 0.271 0.852 0.917 0.750 CA 1.723 13 residues pruned to eliminate duplicates X: 13 30.313 2.233 0.538 0.914 0.917 0.833 O 1.966 13 residues pruned to eliminate duplicates Y: 21 66.015 2.497 1.226 0.914 1.000 0.850 CA 1.879 21 residues pruned to eliminate duplicates Z: 14 45.356 2.285 1.539 0.884 1.000 0.769 CA 1.567 Z: 16 25.133 2.105 0.599 0.835 0.933 0.667 CB 1.548 Z: 23 39.661 2.157 0.746 0.863 0.955 0.636 CA 1.726 23 residues pruned to eliminate duplicates Z: 13 29.518 2.261 0.550 0.879 0.917 0.750 CA 1.923 13 residues pruned to eliminate duplicates Z: 24 40.609 2.220 0.918 0.912 0.957 0.652 CB 1.472 24 residues pruned to eliminate duplicates Z: 21 47.889 2.337 1.051 0.888 0.950 0.500 CB 1.694 21 residues pruned to eliminate duplicates Z: 20 48.744 2.345 1.007 0.904 0.947 0.579 CB 1.786 20 residues pruned to eliminate duplicates Z: 21 36.806 2.345 0.777 0.907 0.900 0.450 CB 1.560 21 residues pruned to eliminate duplicates Z: 17 28.827 2.220 0.486 0.848 0.938 0.875 CA 1.728 17 residues pruned to eliminate duplicates Z: 23 40.399 2.242 1.134 0.904 0.955 0.409 CB 1.343 23 residues pruned to eliminate duplicates Z: 21 64.401 2.509 1.192 0.936 0.950 0.850 CA 1.919 21 residues pruned to eliminate duplicates Z: 19 59.716 2.439 1.110 0.958 1.000 0.833 CB 1.876 21 residues pruned to eliminate duplicates Z: 20 70.649 2.526 1.303 0.952 1.000 0.842 CA 1.919 20 residues pruned to eliminate duplicates Z: 19 57.964 2.586 0.940 0.946 1.000 0.889 CA 1.883 19 residues pruned to eliminate duplicates Z: 14 27.305 2.114 0.629 0.859 0.923 0.615 CA 1.753 14 residues pruned to eliminate duplicates Z: 13 30.773 2.294 0.670 0.854 0.917 0.667 CB 1.868 13 residues pruned to eliminate duplicates Z: 21 40.154 2.198 0.827 0.909 0.950 0.700 CB 1.670 21 residues pruned to eliminate duplicates Z: 22 29.462 2.196 0.580 0.934 0.810 0.476 CB 1.596 22 residues pruned to eliminate duplicates Z: 17 25.204 2.178 0.287 0.843 0.938 0.688 CB 1.786 17 residues pruned to eliminate duplicates Z: 7 22.001 2.647 0.275 0.873 1.000 1.000 CB 1.939 7 residues pruned to eliminate duplicates Z: 12 35.479 2.332 1.194 0.878 1.000 0.818 CA 1.517 12 residues pruned to eliminate duplicates Z: 15 39.637 2.359 1.387 0.858 0.929 0.857 CA 1.492 15 residues pruned to eliminate duplicates Z: 19 17.588 1.915 0.506 0.619 0.889 0.611 CB 1.444 Z: 18 24.145 2.185 0.619 0.680 0.941 0.765 CB 1.491 19 residues pruned to eliminate duplicates Z: 14 33.870 2.220 0.873 0.937 1.000 0.846 CB 1.572 Z: 12 25.269 2.226 0.580 0.863 1.000 0.909 CB 1.589 12 residues pruned to eliminate duplicates Z: 21 68.134 2.501 1.277 0.907 1.000 0.650 CA 1.902 21 residues pruned to eliminate duplicates Z: 13 33.346 2.248 0.698 0.847 1.000 0.583 CB 1.872 13 residues pruned to eliminate duplicates Z: 17 26.412 2.174 0.417 0.763 1.000 0.625 CB 1.696 16 residues pruned to eliminate duplicates Z: 21 36.428 2.317 0.610 0.944 1.000 0.850 CB 1.512 21 residues pruned to eliminate duplicates Z: 20 65.577 2.543 1.198 0.932 1.000 0.789 CA 1.879 20 residues pruned to eliminate duplicates Z: 17 31.670 2.150 0.502 0.894 1.000 0.938 CB 1.758 18 residues pruned to eliminate duplicates Z: 20 44.866 2.327 1.073 0.895 0.895 0.684 CB 1.710 20 residues pruned to eliminate duplicates Z: 14 31.026 2.160 0.601 0.888 1.000 0.692 CB 1.793 14 residues pruned to eliminate duplicates Z: 66 49.530 2.149 0.761 0.740 0.892 0.631 CB 1.467 41 residues pruned to eliminate duplicates Z: 13 25.867 2.120 0.401 0.914 1.000 0.833 O 1.779 13 residues pruned to eliminate duplicates Z: 21 38.711 2.296 0.518 0.937 1.000 0.950 CA 1.729 20 residues pruned to eliminate duplicates Z: 21 69.998 2.512 1.309 0.933 1.000 0.850 CA 1.883 21 residues pruned to eliminate duplicates Z: 19 14.085 2.100 0.344 0.598 0.778 0.667 CB 1.377 19 residues pruned to eliminate duplicates Z: 14 27.994 2.093 0.821 0.898 1.000 0.923 CB 1.458 14 residues pruned to eliminate duplicates Z: 17 25.407 2.165 0.391 0.795 0.938 0.750 CB 1.738 17 residues pruned to eliminate duplicates Z: 21 45.654 2.306 0.794 0.937 0.950 0.700 CB 1.808 21 residues pruned to eliminate duplicates Z: 17 24.635 2.079 0.588 0.821 0.875 0.625 CB 1.613 16 residues pruned to eliminate duplicates Z: 18 25.510 2.123 0.299 0.856 1.000 0.706 CB 1.654 17 residues pruned to eliminate duplicates Z: 17 21.924 2.030 0.519 0.773 1.000 0.812 CB 1.396 17 residues pruned to eliminate duplicates Z: 15 45.498 2.405 1.372 0.876 1.000 0.786 CA 1.549 14 residues pruned to eliminate duplicates Z: 20 58.036 2.376 1.274 0.952 0.947 0.895 CB 1.792 19 residues pruned to eliminate duplicates Z: 22 24.411 2.280 0.164 0.925 0.952 0.857 CB 1.478 22 residues pruned to eliminate duplicates Z: 20 54.661 2.362 1.125 0.936 0.947 0.737 CB 1.837 20 residues pruned to eliminate duplicates Z: 18 22.017 2.025 0.723 0.841 0.765 0.529 CB 1.492 18 residues pruned to eliminate duplicates Z: 20 73.294 2.556 1.363 0.936 1.000 0.526 CB 1.938 20 residues pruned to eliminate duplicates Z: 17 20.390 2.166 0.465 0.711 0.938 0.688 CB 1.415 17 residues pruned to eliminate duplicates Z: 16 29.136 2.117 0.787 0.866 0.933 0.533 CB 1.560 17 residues pruned to eliminate duplicates Z: 12 12.746 2.155 0.155 0.781 0.818 0.727 CB 1.474 Z: 16 26.098 2.281 0.308 0.845 0.933 0.667 CA 1.798 16 residues pruned to eliminate duplicates Z: 22 45.328 2.273 1.000 0.877 0.905 0.810 CA 1.746 22 residues pruned to eliminate duplicates Z: 21 41.001 2.310 0.619 0.926 0.950 0.850 CA 1.810 21 residues pruned to eliminate duplicates Z: 18 24.044 2.151 0.287 0.815 0.941 0.765 CA 1.702 18 residues pruned to eliminate duplicates Z: 21 44.039 2.307 0.775 0.940 0.950 0.900 CA 1.757 21 residues pruned to eliminate duplicates Z: 14 22.007 2.205 0.364 0.911 1.000 0.923 CB 1.438 14 residues pruned to eliminate duplicates Z: 13 42.002 2.392 1.413 0.888 1.000 0.750 CA 1.514 13 residues pruned to eliminate duplicates Z: 14 29.078 2.214 0.775 0.871 0.923 0.846 CB 1.621 14 residues pruned to eliminate duplicates Z: 19 16.477 1.890 0.547 0.775 0.889 0.722 CB 1.172 Z: 22 38.873 2.255 0.869 0.911 1.000 0.524 CB 1.427 22 residues pruned to eliminate duplicates Z: 14 31.181 2.339 0.769 0.916 1.000 1.000 CA 1.476 14 residues pruned to eliminate duplicates Z: 7 10.964 1.909 0.286 0.859 1.000 0.833 CB 1.342 Z: 22 30.219 2.242 0.454 0.890 0.905 0.810 CB 1.608 22 residues pruned to eliminate duplicates Z: 20 53.291 2.435 0.880 0.926 1.000 0.684 CA 1.873 20 residues pruned to eliminate duplicates Z: 22 40.884 2.256 0.829 0.908 0.905 0.714 CA 1.697 22 residues pruned to eliminate duplicates Z: 21 48.275 2.343 0.861 0.929 0.950 0.550 CB 1.823 21 residues pruned to eliminate duplicates Z: 10 16.407 2.000 0.244 0.921 1.000 0.889 CA 1.547 Z: 17 27.101 2.226 0.437 0.863 0.875 0.562 CB 1.775 17 residues pruned to eliminate duplicates Z: 15 33.509 2.313 1.070 0.913 0.929 0.571 CA 1.426 15 residues pruned to eliminate duplicates Z: 21 39.519 2.272 0.659 0.922 0.950 0.750 CA 1.736 21 residues pruned to eliminate duplicates Z: 21 41.258 2.321 0.707 0.903 0.950 0.750 CA 1.748 21 residues pruned to eliminate duplicates Z: 14 37.377 2.377 1.147 0.861 1.000 0.769 CA 1.492 14 residues pruned to eliminate duplicates Z: 20 53.757 2.488 0.995 0.926 0.947 0.684 CA 1.839 20 residues pruned to eliminate duplicates Z: 20 46.039 2.357 0.782 0.931 0.947 0.684 CA 1.855 20 residues pruned to eliminate duplicates Z: 13 20.429 2.025 0.421 0.843 1.000 0.750 CB 1.526 10 residues pruned to eliminate duplicates Z: 13 32.101 2.214 0.610 0.881 1.000 0.750 CB 1.882 13 residues pruned to eliminate duplicates Z: 19 20.663 1.960 0.410 0.824 0.944 0.278 CB 1.410 Z: 6 10.731 1.911 0.274 0.842 1.000 0.800 CB 1.469 6 residues pruned to eliminate duplicates Z: 14 32.647 2.366 0.906 0.885 1.000 0.923 CA 1.450 14 residues pruned to eliminate duplicates Z: 7 6.059 1.701 0.778 0.571 0.667 0.667 CA 1.146 7 residues pruned to eliminate duplicates Z: 17 31.976 2.088 0.879 0.893 0.938 0.812 CB 1.561 16 residues pruned to eliminate duplicates Z: 15 27.171 2.297 0.448 0.864 0.929 0.643 CB 1.724 15 residues pruned to eliminate duplicates Z: 16 22.836 2.184 0.602 0.729 0.933 0.600 CB 1.469 16 residues pruned to eliminate duplicates Z: 20 20.669 1.907 0.583 0.909 0.947 0.632 CB 1.177 Z: 16 25.251 2.273 0.298 0.865 0.933 0.733 CB 1.734 16 residues pruned to eliminate duplicates Z: 66 49.134 2.146 0.757 0.720 0.923 0.600 CB 1.436 66 residues pruned to eliminate duplicates Z: 12 22.356 1.856 0.744 0.895 1.000 0.818 CB 1.493 10 residues pruned to eliminate duplicates Z: 12 12.414 1.665 0.371 0.918 1.000 1.000 CB 1.156 Z: 15 34.665 2.381 1.086 0.842 0.929 0.571 CA 1.497 15 residues pruned to eliminate duplicates Z: 12 12.527 1.990 0.438 0.768 0.818 0.727 CB 1.272 Z: 9 28.116 2.539 0.589 0.799 1.000 0.750 CB 1.896 9 residues pruned to eliminate duplicates Z: 18 15.218 1.934 0.123 0.810 0.941 0.706 CB 1.379 18 residues pruned to eliminate duplicates Z: 12 13.079 2.083 0.109 0.759 1.000 0.727 CB 1.356 12 residues pruned to eliminate duplicates Z: 11 18.057 1.822 0.598 0.897 1.000 0.700 CB 1.405 11 residues pruned to eliminate duplicates Z: 11 27.848 2.380 0.454 0.854 1.000 0.800 CB 1.879 11 residues pruned to eliminate duplicates Z: 10 12.353 1.827 0.391 0.867 0.889 0.778 CB 1.333 Z: 50 56.871 2.233 0.759 0.825 0.980 0.694 CB 1.593 50 residues pruned to eliminate duplicates Z: 14 30.606 2.226 0.748 0.895 1.000 0.923 CB 1.564 14 residues pruned to eliminate duplicates Z: 12 20.144 2.129 0.417 0.805 1.000 0.818 CA 1.542 12 residues pruned to eliminate duplicates Z: 13 32.654 2.216 1.175 0.887 0.917 0.917 CB 1.539 14 residues pruned to eliminate duplicates Z: 13 15.875 2.024 0.390 0.739 0.833 0.500 CB 1.578 12 residues pruned to eliminate duplicates Z: 12 18.469 2.068 0.282 0.859 1.000 0.909 CA 1.546 13 residues pruned to eliminate duplicates Z: 15 34.635 2.289 1.082 0.799 1.000 0.500 CA 1.496 15 residues pruned to eliminate duplicates Z: 10 13.569 1.801 0.368 0.912 1.000 0.889 CB 1.300 10 residues pruned to eliminate duplicates Z: 12 30.834 2.346 0.512 0.880 1.000 0.455 CB 1.899 12 residues pruned to eliminate duplicates Z: 18 25.460 2.047 0.519 0.865 0.941 0.765 CB 1.545 18 residues pruned to eliminate duplicates Z: 18 18.200 2.036 0.278 0.854 0.882 0.529 CB 1.420 18 residues pruned to eliminate duplicates Z: 17 26.544 2.089 0.778 0.820 0.875 0.562 CB 1.547 17 residues pruned to eliminate duplicates Z: 24 35.892 2.238 0.640 0.907 1.000 0.783 CB 1.449 24 residues pruned to eliminate duplicates Z: 12 16.898 1.728 0.432 0.907 1.000 0.818 CA 1.464 12 residues pruned to eliminate duplicates Z: 13 18.051 1.713 0.670 0.884 1.000 0.750 N 1.316 13 residues pruned to eliminate duplicates Z: 73 82.356 2.424 0.841 0.719 0.972 0.597 CB 1.835 67 residues pruned to eliminate duplicates Z: 12 32.844 2.326 1.133 0.913 0.909 0.818 CB 1.554 12 residues pruned to eliminate duplicates Z: 14 20.815 2.064 0.480 0.830 0.923 0.692 CB 1.540 14 residues pruned to eliminate duplicates Z: 23 42.872 2.255 0.996 0.928 1.000 0.500 CB 1.422 23 residues pruned to eliminate duplicates Z: 16 32.437 2.201 0.621 0.901 0.933 0.800 CA 1.795 16 residues pruned to eliminate duplicates Z: 10 20.573 2.165 0.519 0.847 1.000 0.556 CB 1.549 10 residues pruned to eliminate duplicates Z: 22 57.659 2.385 1.240 0.904 0.952 0.857 CA 1.762 22 residues pruned to eliminate duplicates Z: 12 30.507 2.353 0.974 0.914 0.909 0.909 CB 1.540 12 residues pruned to eliminate duplicates Z: 13 17.159 2.175 0.210 0.780 0.917 0.750 CB 1.604 13 residues pruned to eliminate duplicates Z: 13 28.990 2.218 0.934 0.874 0.917 0.917 CB 1.548 13 residues pruned to eliminate duplicates Z: 11 11.563 1.928 0.499 0.839 0.900 0.800 CB 1.051 11 residues pruned to eliminate duplicates Z: 12 16.368 1.995 0.487 0.856 1.000 0.818 CB 1.228 12 residues pruned to eliminate duplicates Z: 23 27.530 2.203 0.518 0.896 0.909 0.682 CB 1.383 23 residues pruned to eliminate duplicates Z: 12 15.959 1.746 0.482 0.913 1.000 0.818 CB 1.316 12 residues pruned to eliminate duplicates Z: 24 25.609 2.162 0.254 0.923 0.957 0.826 CB 1.447 24 residues pruned to eliminate duplicates Z: 66 47.143 2.116 0.638 0.736 0.938 0.615 CB 1.455 66 residues pruned to eliminate duplicates Z: 13 16.727 2.039 0.247 0.844 1.000 0.917 CB 1.412 13 residues pruned to eliminate duplicates Z: 7 6.930 1.856 0.370 0.795 0.667 0.667 CA 1.289 7 residues pruned to eliminate duplicates Z: 13 18.451 1.997 0.428 0.835 0.917 0.750 CB 1.526 13 residues pruned to eliminate duplicates Z: 15 29.806 2.090 1.109 0.862 0.929 0.786 CB 1.429 14 residues pruned to eliminate duplicates Z: 13 19.645 2.045 0.409 0.824 1.000 0.833 CA 1.487 13 residues pruned to eliminate duplicates Z: 13 31.662 2.239 1.037 0.870 0.917 0.833 CB 1.596 13 residues pruned to eliminate duplicates Z: 13 17.632 1.991 0.385 0.866 1.000 0.833 CB 1.351 13 residues pruned to eliminate duplicates Z: 39 55.308 2.340 0.902 0.738 0.947 0.605 CB 1.719 39 residues pruned to eliminate duplicates Z: 21 53.379 2.364 1.118 0.897 0.950 0.450 CB 1.796 21 residues pruned to eliminate duplicates Z: 17 17.364 1.962 0.420 0.814 0.875 0.500 CB 1.355 17 residues pruned to eliminate duplicates Z: 13 12.107 1.765 0.267 0.911 0.917 0.833 CB 1.208 13 residues pruned to eliminate duplicates Z: 17 29.603 2.069 0.825 0.885 0.875 0.812 CB 1.618 17 residues pruned to eliminate duplicates Z: 36 32.004 2.192 0.625 0.612 0.914 0.600 CA 1.493 32 residues pruned to eliminate duplicates Z: 17 24.303 2.192 0.476 0.814 0.812 0.625 CB 1.758 18 residues pruned to eliminate duplicates Z: 57 38.795 2.134 0.559 0.615 0.911 0.554 CB 1.534 52 residues pruned to eliminate duplicates Z: 12 12.786 2.100 0.145 0.823 0.909 0.818 CB 1.333 12 residues pruned to eliminate duplicates Z: 22 18.499 2.130 0.451 0.627 0.857 0.619 CB 1.352 19 residues pruned to eliminate duplicates Z: 14 29.828 2.173 0.750 0.910 0.923 0.615 CA 1.671 14 residues pruned to eliminate duplicates Z: 13 36.670 2.354 1.196 0.842 1.000 0.750 CA 1.526 13 residues pruned to eliminate duplicates Z: 14 16.742 1.934 0.159 0.844 1.000 0.846 CB 1.541 12 residues pruned to eliminate duplicates Z: 13 12.616 1.774 0.178 0.932 1.000 0.833 CB 1.217 13 residues pruned to eliminate duplicates Z: 18 18.141 2.006 0.379 0.760 0.941 0.529 CB 1.342 18 residues pruned to eliminate duplicates Z: 67 46.301 2.123 0.684 0.730 0.939 0.652 CB 1.380 67 residues pruned to eliminate duplicates Z: 20 26.010 1.934 0.765 0.946 0.895 0.579 CB 1.351 20 residues pruned to eliminate duplicates Z: 6 11.093 1.961 0.429 0.827 1.000 0.600 CB 1.334 6 residues pruned to eliminate duplicates Z: 20 23.395 1.967 0.540 0.938 1.000 0.842 CB 1.232 20 residues pruned to eliminate duplicates Z: 18 23.189 2.152 0.380 0.726 0.941 0.529 CB 1.642 18 residues pruned to eliminate duplicates Z: 21 23.683 1.923 0.634 0.886 0.950 0.550 CB 1.280 20 residues pruned to eliminate duplicates Z: 13 31.499 2.225 0.905 0.883 1.000 0.917 CB 1.551 13 residues pruned to eliminate duplicates Z: 22 41.527 2.259 0.767 0.878 0.952 0.857 CB 1.731 22 residues pruned to eliminate duplicates Z: 16 22.021 2.012 0.521 0.770 0.933 0.733 CB 1.568 16 residues pruned to eliminate duplicates Z: 13 13.760 1.735 0.304 0.919 1.000 0.667 CB 1.237 13 residues pruned to eliminate duplicates Z: 18 22.126 1.843 0.581 0.906 1.000 0.941 CB 1.310 18 residues pruned to eliminate duplicates Z: 15 43.239 2.309 1.452 0.841 0.929 0.571 CA 1.638 15 residues pruned to eliminate duplicates Z: 21 26.604 1.950 0.663 0.934 0.950 0.750 CB 1.346 20 residues pruned to eliminate duplicates Z: 28 17.078 1.831 0.506 0.539 0.926 0.667 CB 1.238 14 residues pruned to eliminate duplicates Z: 8 10.111 1.843 0.274 0.879 1.000 0.857 CB 1.180 8 residues pruned to eliminate duplicates Z: 38 22.460 2.057 0.399 0.616 0.892 0.649 CB 1.289 37 residues pruned to eliminate duplicates Z: 11 11.764 1.716 0.524 0.863 0.900 0.900 CB 1.160 11 residues pruned to eliminate duplicates Z: 15 31.384 2.127 1.283 0.903 0.857 0.786 CB 1.437 15 residues pruned to eliminate duplicates Z: 20 24.028 1.938 0.577 0.940 1.000 0.789 CB 1.252 20 residues pruned to eliminate duplicates Z: 19 17.682 2.122 0.250 0.676 0.944 0.611 CB 1.415 19 residues pruned to eliminate duplicates Z: 13 14.862 1.747 0.428 0.921 1.000 0.833 CB 1.210 13 residues pruned to eliminate duplicates Z: 52 70.253 2.486 0.706 0.771 0.941 0.765 CB 1.940 52 residues pruned to eliminate duplicates Z: 30 20.492 1.835 0.508 0.641 0.931 0.621 CB 1.295 26 residues pruned to eliminate duplicates Z: 11 18.587 1.893 0.650 0.904 0.900 0.600 N 1.490 11 residues pruned to eliminate duplicates Z: 8 7.426 1.999 0.280 0.803 0.714 0.429 CB 1.178 8 residues pruned to eliminate duplicates Z: 21 26.142 1.922 0.771 0.961 0.950 0.800 CB 1.237 21 residues pruned to eliminate duplicates Z: 10 8.936 1.745 0.271 0.878 1.000 0.889 CB 0.975 10 residues pruned to eliminate duplicates Z: 20 17.942 1.885 0.431 0.769 0.947 0.684 CB 1.269 20 residues pruned to eliminate duplicates Z: 13 32.855 2.248 0.942 0.914 1.000 0.917 CB 1.536 13 residues pruned to eliminate duplicates Z: 12 19.732 1.807 0.533 0.889 1.000 0.818 CA 1.545 12 residues pruned to eliminate duplicates Z: 17 33.227 2.051 0.890 0.894 0.938 0.812 CB 1.640 17 residues pruned to eliminate duplicates Z: 10 11.837 1.634 0.382 0.908 1.000 0.778 CB 1.241 10 residues pruned to eliminate duplicates Z: 88 82.378 2.420 0.836 0.688 0.908 0.609 CA 1.842 88 residues pruned to eliminate duplicates Z: 12 12.155 2.078 -0.081 0.811 1.000 0.818 CB 1.464 12 residues pruned to eliminate duplicates Z: 20 30.060 1.952 0.904 0.937 1.000 0.684 CB 1.291 20 residues pruned to eliminate duplicates Z: 19 15.490 1.824 0.158 0.841 1.000 0.833 CB 1.289 19 residues pruned to eliminate duplicates Z: 18 18.632 1.971 0.324 0.882 0.941 0.765 CB 1.332 18 residues pruned to eliminate duplicates Z: 21 25.130 1.924 0.569 0.928 1.000 0.750 CB 1.303 21 residues pruned to eliminate duplicates Z: 12 32.705 2.446 0.661 0.812 1.000 0.636 CB 1.850 12 residues pruned to eliminate duplicates Z: 22 27.334 1.894 0.585 0.935 1.000 0.667 CA 1.385 22 residues pruned to eliminate duplicates Z: 49 54.361 2.238 0.736 0.829 0.958 0.750 CB 1.586 49 residues pruned to eliminate duplicates Z: 14 30.066 2.414 0.361 0.858 1.000 0.615 CA 1.869 14 residues pruned to eliminate duplicates Z: 13 14.222 1.705 0.272 0.902 1.000 0.917 CB 1.350 13 residues pruned to eliminate duplicates Z: 17 24.000 1.962 0.700 0.848 0.938 0.375 CB 1.423 17 residues pruned to eliminate duplicates Z: 17 27.880 2.094 0.499 0.873 1.000 0.750 CB 1.617 17 residues pruned to eliminate duplicates Z: 15 21.541 2.031 0.484 0.901 1.000 0.929 CB 1.363 15 residues pruned to eliminate duplicates Z: 12 24.385 1.876 0.886 0.927 1.000 0.636 N 1.457 12 residues pruned to eliminate duplicates Z: 9 12.098 2.114 0.333 0.793 1.000 0.625 CB 1.174 9 residues pruned to eliminate duplicates Z: 11 13.931 2.082 0.303 0.815 0.900 0.600 CB 1.373 11 residues pruned to eliminate duplicates Z: 13 29.052 2.351 0.794 0.895 1.000 0.917 CA 1.425 13 residues pruned to eliminate duplicates Z: 12 10.704 1.858 0.316 0.796 0.818 0.636 CB 1.245 12 residues pruned to eliminate duplicates Z: 18 16.660 1.937 0.609 0.732 0.882 0.588 CB 1.193 19 residues pruned to eliminate duplicates Z: 18 15.979 1.959 0.404 0.802 0.824 0.647 CB 1.314 18 residues pruned to eliminate duplicates Z: 19 20.067 2.004 0.230 0.830 1.000 0.556 CB 1.442 22 residues pruned to eliminate duplicates Z: 11 12.023 1.656 0.233 0.905 1.000 1.000 CB 1.326 10 residues pruned to eliminate duplicates Z: 12 13.888 1.723 0.382 0.857 1.000 0.909 CB 1.296 10 residues pruned to eliminate duplicates Z: 18 16.405 1.941 0.249 0.758 0.882 0.647 CB 1.477 18 residues pruned to eliminate duplicates Z: 14 15.614 1.615 0.498 0.917 1.000 0.923 CB 1.264 14 residues pruned to eliminate duplicates Z: 21 24.995 1.917 0.603 0.936 0.950 0.600 CB 1.333 21 residues pruned to eliminate duplicates Z: 16 34.889 2.198 0.672 0.917 1.000 0.733 CA 1.730 16 residues pruned to eliminate duplicates Z: 15 26.233 2.115 0.542 0.828 1.000 0.786 CB 1.618 15 residues pruned to eliminate duplicates Z: 20 17.708 1.887 0.290 0.859 0.947 0.632 CB 1.297 20 residues pruned to eliminate duplicates Z: 15 23.730 2.101 0.475 0.789 1.000 0.786 CB 1.587 15 residues pruned to eliminate duplicates Z: 10 12.805 1.781 0.446 0.880 0.889 0.889 CB 1.352 10 residues pruned to eliminate duplicates Z: 11 15.577 1.975 0.675 0.801 1.000 0.800 CB 1.144 11 residues pruned to eliminate duplicates Z: 12 12.166 1.730 0.512 0.902 1.000 0.636 CB 1.000 10 residues pruned to eliminate duplicates Z: 12 16.210 2.119 0.337 0.798 1.000 0.727 CB 1.329 12 residues pruned to eliminate duplicates Z: 19 18.306 2.051 0.556 0.629 0.889 0.556 CB 1.347 19 residues pruned to eliminate duplicates Z: 22 49.661 2.297 1.180 0.952 0.952 0.381 CB 1.565 22 residues pruned to eliminate duplicates Z: 19 19.011 2.089 0.359 0.713 0.889 0.778 CB 1.464 19 residues pruned to eliminate duplicates Z: 29 37.048 2.266 0.905 0.694 0.857 0.500 CB 1.584 29 residues pruned to eliminate duplicates Z: 8 10.486 1.761 0.511 0.881 0.857 0.571 CB 1.259 8 residues pruned to eliminate duplicates Z: 20 20.125 2.203 0.207 0.906 0.895 0.579 CB 1.380 20 residues pruned to eliminate duplicates Z: 12 17.250 1.871 0.571 0.874 0.909 0.636 CB 1.417 12 residues pruned to eliminate duplicates Z: 54 41.525 2.137 0.629 0.663 0.906 0.660 CA 1.555 55 residues pruned to eliminate duplicates Z: 21 29.429 1.946 0.938 0.947 0.950 0.600 CB 1.270 21 residues pruned to eliminate duplicates Z: 7 4.953 2.060 0.169 0.368 0.667 0.500 N 1.451 7 residues pruned to eliminate duplicates Z: 11 21.220 1.911 0.641 0.912 1.000 0.400 CB 1.515 11 residues pruned to eliminate duplicates Z: 12 12.357 1.673 0.455 0.864 1.000 0.818 CB 1.122 12 residues pruned to eliminate duplicates Z: 13 23.080 2.147 0.534 0.804 1.000 0.750 CB 1.552 13 residues pruned to eliminate duplicates Z: 12 10.648 1.730 0.267 0.835 0.909 0.636 CB 1.207 12 residues pruned to eliminate duplicates Z: 12 23.607 1.899 0.756 0.927 1.000 0.545 CB 1.496 12 residues pruned to eliminate duplicates Z: 12 11.727 1.724 0.352 0.905 1.000 0.727 CB 1.079 12 residues pruned to eliminate duplicates Z: 51 53.972 2.185 0.856 0.799 0.960 0.660 CB 1.509 51 residues pruned to eliminate duplicates Z: 10 12.112 1.907 0.280 0.882 1.000 0.667 CB 1.197 10 residues pruned to eliminate duplicates Z: 13 14.629 1.726 0.467 0.885 1.000 0.750 CB 1.204 13 residues pruned to eliminate duplicates Z: 18 20.202 2.163 0.620 0.724 0.824 0.471 CB 1.386 18 residues pruned to eliminate duplicates Z: 18 22.544 2.000 0.433 0.823 1.000 0.647 CB 1.442 17 residues pruned to eliminate duplicates Z: 11 9.452 2.067 0.284 0.666 0.900 0.400 CB 1.072 11 residues pruned to eliminate duplicates Z: 13 12.720 1.712 0.337 0.910 1.000 0.917 CB 1.138 13 residues pruned to eliminate duplicates Z: 11 10.095 1.673 0.192 0.924 1.000 1.000 CB 1.124 11 residues pruned to eliminate duplicates Z: 13 12.469 1.759 0.245 0.929 1.000 0.917 CB 1.150 13 residues pruned to eliminate duplicates Z: 12 10.016 1.879 -0.007 0.842 1.000 0.818 CB 1.205 12 residues pruned to eliminate duplicates Z: 21 17.606 1.861 0.185 0.912 1.000 0.900 CB 1.264 21 residues pruned to eliminate duplicates Z: 17 20.913 1.939 0.812 0.916 0.812 0.688 CB 1.293 17 residues pruned to eliminate duplicates Z: 9 10.101 1.801 0.305 0.853 1.000 0.625 CB 1.123 9 residues pruned to eliminate duplicates Z: 12 9.592 1.914 -0.105 0.831 0.909 0.818 CB 1.397 12 residues pruned to eliminate duplicates Z: 18 15.046 1.949 0.568 0.769 0.765 0.647 CB 1.231 18 residues pruned to eliminate duplicates Z: 10 13.291 1.736 0.782 0.871 1.000 0.444 CB 1.045 10 residues pruned to eliminate duplicates Z: 8 6.375 1.680 0.913 0.837 0.714 0.714 CB 0.785 8 residues pruned to eliminate duplicates Z: 14 10.053 1.960 0.393 0.610 0.846 0.615 CB 1.087 14 residues pruned to eliminate duplicates Z: 13 10.282 1.715 0.212 0.796 0.917 0.667 CB 1.202 13 residues pruned to eliminate duplicates Z: 23 30.435 2.217 0.508 0.900 1.000 0.909 CB 1.386 23 residues pruned to eliminate duplicates Z: 21 27.610 1.934 0.670 0.935 0.950 0.800 CB 1.403 21 residues pruned to eliminate duplicates Z: 9 11.233 1.747 0.178 0.873 1.000 0.875 CB 1.405 9 residues pruned to eliminate duplicates Z: 12 12.041 1.763 0.209 0.871 1.000 0.727 CB 1.242 12 residues pruned to eliminate duplicates Z: 19 23.243 1.994 0.442 0.812 1.000 0.667 CB 1.453 19 residues pruned to eliminate duplicates Z: 15 19.844 1.895 0.419 0.811 1.000 0.929 CB 1.504 15 residues pruned to eliminate duplicates Z: 14 16.920 1.981 0.320 0.816 1.000 0.615 CB 1.363 14 residues pruned to eliminate duplicates Z: 19 21.183 1.993 0.337 0.838 0.944 0.833 CB 1.483 19 residues pruned to eliminate duplicates Z: 57 51.118 2.203 0.662 0.762 0.982 0.643 CB 1.506 57 residues pruned to eliminate duplicates Z: 19 12.039 1.742 0.320 0.521 0.889 0.611 CB 1.360 19 residues pruned to eliminate duplicates Z: 51 54.387 2.389 0.743 0.766 0.840 0.460 CB 1.738 51 residues pruned to eliminate duplicates Z: 14 10.483 1.884 0.477 0.678 0.769 0.308 CB 1.153 14 residues pruned to eliminate duplicates Z: 13 14.430 1.839 0.467 0.827 0.917 0.917 CB 1.269 12 residues pruned to eliminate duplicates Z: 15 20.334 1.963 0.441 0.865 1.000 0.571 CB 1.408 15 residues pruned to eliminate duplicates Z: 11 12.312 1.868 0.449 0.814 0.800 0.700 CB 1.368 11 residues pruned to eliminate duplicates Z: 8 8.968 1.708 0.645 0.487 0.857 0.571 CB 1.426 Z: 16 14.818 1.869 0.683 0.789 0.933 0.733 CB 1.011 16 residues pruned to eliminate duplicates Z: 16 13.893 1.904 0.269 0.839 0.867 0.733 CB 1.280 16 residues pruned to eliminate duplicates Z: 18 15.369 1.899 0.366 0.779 0.941 0.588 CB 1.194 18 residues pruned to eliminate duplicates Z: 11 17.835 2.049 0.497 0.866 0.900 0.500 CB 1.496 11 residues pruned to eliminate duplicates Z: 49 59.703 2.253 0.918 0.810 0.958 0.708 CB 1.588 49 residues pruned to eliminate duplicates Z: 6 6.797 1.965 -0.022 0.863 1.000 0.800 CB 1.160 6 residues pruned to eliminate duplicates Z: 11 14.159 1.952 0.695 0.830 0.900 0.700 CB 1.131 11 residues pruned to eliminate duplicates Z: 41 69.274 2.406 1.132 0.693 0.950 0.525 CB 1.884 41 residues pruned to eliminate duplicates Z: 16 25.968 2.146 0.481 0.897 1.000 0.800 CB 1.510 16 residues pruned to eliminate duplicates Z: 28 45.802 2.249 1.078 0.747 0.926 0.481 CB 1.633 28 residues pruned to eliminate duplicates Z: 10 12.098 1.963 0.418 0.743 0.889 0.889 CB 1.311 10 residues pruned to eliminate duplicates Z: 37 45.989 2.203 0.962 0.706 0.972 0.472 CB 1.513 37 residues pruned to eliminate duplicates Z: 21 19.310 1.873 0.355 0.923 1.000 0.900 CB 1.195 21 residues pruned to eliminate duplicates Z: 41 63.073 2.416 0.843 0.752 0.950 0.775 CA 1.884 41 residues pruned to eliminate duplicates Z: 12 12.901 1.664 0.519 0.868 1.000 0.818 CB 1.126 12 residues pruned to eliminate duplicates Z: 64 78.484 2.421 1.100 0.645 0.921 0.667 CB 1.845 51 residues pruned to eliminate duplicates Z: 23 22.588 2.176 0.198 0.870 0.955 0.818 CB 1.413 23 residues pruned to eliminate duplicates Z: 6 2.582 0.961 0.634 0.443 1.000 0.600 CA 0.780 Z: 13 14.009 1.932 0.510 0.761 1.000 0.750 CB 1.099 13 residues pruned to eliminate duplicates Z: 12 12.662 1.712 0.331 0.879 1.000 0.727 CB 1.215 12 residues pruned to eliminate duplicates Z: 8 8.054 1.732 0.396 0.868 1.000 0.714 CB 0.920 8 residues pruned to eliminate duplicates Z: 16 34.345 2.196 0.826 0.911 0.933 0.733 CB 1.678 16 residues pruned to eliminate duplicates Z: 7 9.730 1.833 0.261 0.855 1.000 0.667 CB 1.268 7 residues pruned to eliminate duplicates Z: 54 47.243 2.146 0.667 0.750 0.981 0.698 CB 1.479 54 residues pruned to eliminate duplicates Z: 14 29.468 2.086 0.780 0.883 1.000 0.462 CA 1.592 14 residues pruned to eliminate duplicates Z: 50 73.470 2.454 0.887 0.791 0.939 0.449 CB 1.870 50 residues pruned to eliminate duplicates Z: 21 21.947 1.880 0.428 0.896 1.000 0.800 CB 1.310 21 residues pruned to eliminate duplicates Z: 13 14.723 2.132 0.156 0.795 1.000 0.917 CB 1.332 13 residues pruned to eliminate duplicates Z: 12 15.624 1.773 0.620 0.862 0.909 0.545 CB 1.325 12 residues pruned to eliminate duplicates Z: 6 5.522 1.728 0.220 0.760 0.800 0.600 CB 1.163 6 residues pruned to eliminate duplicates Z: 19 22.896 1.949 0.574 0.827 0.944 0.722 CB 1.404 19 residues pruned to eliminate duplicates Z: 19 19.834 1.940 0.647 0.756 0.889 0.722 CB 1.311 19 residues pruned to eliminate duplicates Z: 65 50.632 2.170 0.637 0.762 0.953 0.734 CB 1.481 65 residues pruned to eliminate duplicates Z: 10 12.750 1.766 0.597 0.892 0.889 0.778 CB 1.218 10 residues pruned to eliminate duplicates Z: 29 24.017 2.015 0.489 0.643 0.929 0.679 CB 1.425 29 residues pruned to eliminate duplicates Z: 35 51.945 2.259 1.053 0.777 0.941 0.765 CB 1.598 35 residues pruned to eliminate duplicates Z: 10 9.451 1.901 0.294 0.730 0.889 0.889 CA 1.171 10 residues pruned to eliminate duplicates Z: 9 4.668 1.504 0.397 0.683 0.625 0.500 CB 1.063 9 residues pruned to eliminate duplicates Z: 28 24.482 2.009 0.517 0.643 0.926 0.593 CB 1.460 28 residues pruned to eliminate duplicates Z: 11 21.164 1.911 0.801 0.894 0.900 0.800 N 1.550 11 residues pruned to eliminate duplicates Z: 17 25.533 1.963 0.761 0.901 0.938 0.812 CA 1.406 17 residues pruned to eliminate duplicates Z: 34 30.726 2.264 0.724 0.499 0.848 0.515 CB 1.617 31 residues pruned to eliminate duplicates Z: 10 9.584 1.694 0.505 0.502 1.000 0.556 CB 1.251 10 residues pruned to eliminate duplicates Z: 20 76.644 2.555 1.488 0.960 1.000 0.526 CB 1.895 20 residues pruned to eliminate duplicates Z: 11 10.328 1.626 0.290 0.910 1.000 0.900 CB 1.105 11 residues pruned to eliminate duplicates Z: 21 32.082 1.948 1.097 0.942 0.900 0.600 CB 1.353 22 residues pruned to eliminate duplicates Z: 17 25.002 1.933 0.850 0.952 0.938 0.438 CB 1.284 17 residues pruned to eliminate duplicates Z: 110 80.602 2.296 0.748 0.694 0.927 0.670 CB 1.738 110 residues pruned to eliminate duplicates Z: 18 77.833 2.616 1.455 0.948 1.000 0.824 CA 2.030 18 residues pruned to eliminate duplicates Z: 18 16.319 1.941 0.522 0.841 0.882 0.647 CB 1.132 18 residues pruned to eliminate duplicates Z: 85 72.959 2.296 0.836 0.645 0.952 0.619 CB 1.732 85 residues pruned to eliminate duplicates Z: 22 25.444 2.272 0.148 0.905 1.000 0.905 CB 1.515 22 residues pruned to eliminate duplicates Z: 59 72.769 2.445 0.831 0.700 0.948 0.655 CB 1.875 59 residues pruned to eliminate duplicates Z: 8 8.831 1.785 0.244 0.628 1.000 0.714 O 1.332 Z: 14 22.124 2.109 0.437 0.774 1.000 0.692 CA 1.591 14 residues pruned to eliminate duplicates Z: 12 16.721 2.190 0.329 0.767 0.818 0.636 CB 1.671 20 residues pruned to eliminate duplicates Z: 23 22.021 2.010 0.820 0.608 0.864 0.455 CB 1.341 23 residues pruned to eliminate duplicates Z: 17 10.589 1.666 0.441 0.659 0.875 0.625 CB 1.087 17 residues pruned to eliminate duplicates Z: 20 33.079 2.261 0.769 0.871 0.895 0.737 CB 1.548 20 residues pruned to eliminate duplicates Z: 27 23.968 1.998 0.482 0.760 1.000 0.615 CB 1.260 27 residues pruned to eliminate duplicates Z: 11 6.256 1.383 0.846 0.438 0.800 0.500 C 1.033 Z: 33 16.448 1.762 0.481 0.549 0.906 0.531 CB 1.172 27 residues pruned to eliminate duplicates Z: 13 17.947 1.863 0.601 0.775 0.917 0.833 CA 1.487 13 residues pruned to eliminate duplicates Z: 34 40.391 2.135 0.733 0.799 1.000 0.576 CB 1.463 34 residues pruned to eliminate duplicates Z: 8 4.775 1.590 0.316 0.516 0.714 0.286 CB 1.190 8 residues pruned to eliminate duplicates Z: 11 15.945 1.718 0.945 0.915 1.000 1.000 CB 1.066 12 residues pruned to eliminate duplicates Z: 6 3.554 1.345 0.555 0.459 0.800 0.400 N 0.991 Using tripeptides from previous cycle as seeds Z: 12 9.978 1.802 -0.038 0.910 1.000 0.909 CB 1.230 12 residues pruned to eliminate duplicates Z: 66 48.102 2.153 0.556 0.744 0.969 0.862 CB 1.477 66 residues pruned to eliminate duplicates Z: 67 48.353 2.160 0.551 0.731 0.955 0.758 CB 1.512 67 residues pruned to eliminate duplicates Z: 70 45.603 2.088 0.578 0.713 0.957 0.710 CB 1.436 70 residues pruned to eliminate duplicates Z: 67 46.196 2.135 0.523 0.724 0.955 0.788 CB 1.497 67 residues pruned to eliminate duplicates Z: 67 44.555 2.136 0.512 0.732 0.955 0.727 CB 1.444 67 residues pruned to eliminate duplicates Z: 67 46.139 2.125 0.513 0.739 0.970 0.803 CB 1.471 67 residues pruned to eliminate duplicates Z: 66 46.015 2.151 0.508 0.735 0.969 0.800 CB 1.470 66 residues pruned to eliminate duplicates Z: 24 20.943 1.962 0.366 0.761 1.000 0.913 CB 1.292 24 residues pruned to eliminate duplicates Z: 67 40.294 2.128 0.413 0.723 0.939 0.742 CB 1.435 67 residues pruned to eliminate duplicates Z: 70 45.098 2.079 0.575 0.712 0.942 0.768 CB 1.452 68 residues pruned to eliminate duplicates Z: 36 34.652 2.080 0.480 0.853 0.971 0.771 CB 1.447 36 residues pruned to eliminate duplicates Z: 66 46.244 2.158 0.535 0.747 0.969 0.769 CB 1.433 66 residues pruned to eliminate duplicates Z: 67 46.281 2.142 0.547 0.746 0.939 0.727 CB 1.470 67 residues pruned to eliminate duplicates Z: 67 42.657 2.133 0.392 0.712 0.970 0.712 CB 1.505 67 residues pruned to eliminate duplicates Z: 66 45.254 2.166 0.478 0.728 0.954 0.692 CB 1.497 69 residues pruned to eliminate duplicates Z: 21 31.189 2.312 0.485 0.934 0.950 0.750 CB 1.492 21 residues pruned to eliminate duplicates Z: 66 47.993 2.152 0.559 0.744 0.969 0.723 CB 1.471 66 residues pruned to eliminate duplicates Z: 67 48.403 2.139 0.668 0.745 0.924 0.652 CB 1.451 67 residues pruned to eliminate duplicates Z: 22 40.760 2.345 0.817 0.932 0.952 0.619 CB 1.531 22 residues pruned to eliminate duplicates Z: 66 50.829 2.156 0.687 0.740 0.969 0.677 CB 1.442 66 residues pruned to eliminate duplicates Z: 23 39.151 2.261 0.767 0.910 1.000 0.545 CB 1.481 23 residues pruned to eliminate duplicates Z: 67 54.764 2.147 0.723 0.751 1.000 0.667 CB 1.457 67 residues pruned to eliminate duplicates Z: 21 42.348 2.341 0.806 0.937 1.000 0.500 CB 1.559 21 residues pruned to eliminate duplicates Z: 66 48.366 2.158 0.693 0.719 0.923 0.600 CB 1.459 66 residues pruned to eliminate duplicates Z: 67 53.772 2.143 0.764 0.749 0.985 0.621 CB 1.423 67 residues pruned to eliminate duplicates Z: 66 50.785 2.155 0.645 0.764 0.938 0.692 CB 1.498 66 residues pruned to eliminate duplicates Z: 22 41.694 2.368 0.880 0.936 0.952 0.667 CB 1.495 22 residues pruned to eliminate duplicates Z: 67 50.604 2.155 0.693 0.730 0.939 0.652 CB 1.477 67 residues pruned to eliminate duplicates Z: 67 49.438 2.153 0.625 0.731 0.955 0.667 CB 1.480 67 residues pruned to eliminate duplicates Z: 68 51.273 2.131 0.649 0.725 0.985 0.746 CB 1.477 68 residues pruned to eliminate duplicates Z: 68 51.239 2.138 0.758 0.723 0.940 0.642 CB 1.448 68 residues pruned to eliminate duplicates Z: 67 50.479 2.155 0.636 0.727 0.970 0.712 CB 1.482 67 residues pruned to eliminate duplicates Z: 68 50.191 2.131 0.596 0.717 1.000 0.716 CB 1.481 68 residues pruned to eliminate duplicates Z: 68 52.971 2.129 0.707 0.731 0.970 0.672 CB 1.490 68 residues pruned to eliminate duplicates Z: 67 51.580 2.151 0.791 0.707 0.924 0.636 CB 1.478 67 residues pruned to eliminate duplicates Z: 68 49.509 2.143 0.664 0.734 0.940 0.672 CB 1.462 68 residues pruned to eliminate duplicates Z: 67 51.181 2.151 0.700 0.736 0.955 0.652 CB 1.461 67 residues pruned to eliminate duplicates Z: 67 56.824 2.158 0.762 0.744 1.000 0.652 CB 1.479 68 residues pruned to eliminate duplicates Z: 18 21.959 2.164 0.495 0.647 0.941 0.765 CB 1.526 18 residues pruned to eliminate duplicates Z: 69 48.160 2.117 0.687 0.722 0.926 0.647 CB 1.444 69 residues pruned to eliminate duplicates Z: 66 50.757 2.169 0.674 0.752 0.938 0.677 CB 1.476 66 residues pruned to eliminate duplicates Z: 67 54.448 2.148 0.697 0.754 1.000 0.758 CB 1.466 67 residues pruned to eliminate duplicates Z: 67 54.809 2.161 0.707 0.747 0.970 0.682 CB 1.513 67 residues pruned to eliminate duplicates Z: 68 50.949 2.139 0.617 0.739 0.970 0.567 CB 1.497 68 residues pruned to eliminate duplicates Z: 33 35.216 2.107 0.649 0.677 1.000 0.688 CB 1.523 32 residues pruned to eliminate duplicates Z: 19 24.517 2.188 0.585 0.719 0.889 0.722 CB 1.538 19 residues pruned to eliminate duplicates Z: 67 56.084 2.155 0.807 0.761 0.970 0.561 CB 1.450 67 residues pruned to eliminate duplicates Z: 67 55.389 2.156 0.787 0.754 0.955 0.636 CB 1.479 67 residues pruned to eliminate duplicates Z: 52 50.685 2.252 0.764 0.755 0.922 0.608 CB 1.545 52 residues pruned to eliminate duplicates Z: 67 52.397 2.157 0.639 0.755 0.955 0.667 CB 1.523 67 residues pruned to eliminate duplicates Z: 67 51.727 2.152 0.637 0.759 0.955 0.697 CB 1.504 67 residues pruned to eliminate duplicates Z: 23 21.613 1.854 0.638 0.587 0.955 0.500 CB 1.462 24 residues pruned to eliminate duplicates Z: 16 21.234 1.902 0.567 0.744 1.000 0.800 CB 1.479 16 residues pruned to eliminate duplicates Z: 67 60.877 2.152 0.820 0.789 0.985 0.545 CB 1.508 66 residues pruned to eliminate duplicates Z: 11 15.681 1.908 0.382 0.861 0.900 0.700 CA 1.535 11 residues pruned to eliminate duplicates Z: 67 51.606 2.137 0.664 0.751 0.955 0.667 CB 1.496 67 residues pruned to eliminate duplicates Z: 68 58.213 2.140 0.754 0.759 1.000 0.597 CB 1.505 68 residues pruned to eliminate duplicates Z: 68 56.365 2.144 0.820 0.744 0.955 0.627 CB 1.484 68 residues pruned to eliminate duplicates Z: 69 50.842 2.130 0.682 0.740 0.926 0.721 CB 1.499 69 residues pruned to eliminate duplicates Z: 66 52.310 2.158 0.698 0.744 0.969 0.723 CB 1.468 66 residues pruned to eliminate duplicates Z: 67 55.488 2.151 0.787 0.749 0.970 0.530 CB 1.467 67 residues pruned to eliminate duplicates Z: 67 53.875 2.155 0.741 0.749 0.970 0.606 CB 1.460 67 residues pruned to eliminate duplicates Z: 68 54.336 2.140 0.750 0.746 0.970 0.582 CB 1.465 68 residues pruned to eliminate duplicates Z: 69 57.777 2.112 0.819 0.757 0.971 0.706 CB 1.495 69 residues pruned to eliminate duplicates Z: 9 14.748 2.112 0.342 0.784 1.000 0.625 CB 1.433 9 residues pruned to eliminate duplicates Z: 20 20.982 1.905 0.430 0.840 1.000 0.632 CB 1.319 20 residues pruned to eliminate duplicates Z: 19 21.076 2.017 0.458 0.746 0.944 0.722 CB 1.435 19 residues pruned to eliminate duplicates Z: 108 77.842 2.333 0.699 0.676 0.935 0.636 CB 1.728 108 residues pruned to eliminate duplicates Z: 43 28.474 2.029 0.586 0.600 0.929 0.500 CB 1.336 43 residues pruned to eliminate duplicates Z: 11 10.490 1.961 0.354 0.539 1.000 0.500 CB 1.202 11 residues pruned to eliminate duplicates Z: 21 19.423 1.986 0.458 0.663 0.950 0.650 CB 1.358 21 residues pruned to eliminate duplicates Z: 35 25.138 2.033 0.375 0.679 0.941 0.588 CB 1.391 35 residues pruned to eliminate duplicates Z: 45 20.919 1.926 0.557 0.475 0.795 0.386 CB 1.356 45 residues pruned to eliminate duplicates Z: 34 26.787 2.083 0.487 0.657 0.909 0.576 CB 1.432 34 residues pruned to eliminate duplicates Z: 34 28.931 2.087 0.490 0.676 0.939 0.606 CB 1.467 34 residues pruned to eliminate duplicates Z: 36 22.026 1.960 0.385 0.630 0.886 0.571 CB 1.369 36 residues pruned to eliminate duplicates Z: 35 23.505 1.968 0.475 0.645 0.882 0.529 CB 1.374 35 residues pruned to eliminate duplicates Z: 35 28.150 2.055 0.468 0.649 1.000 0.471 CB 1.393 35 residues pruned to eliminate duplicates Z: 33 23.662 2.000 0.449 0.657 0.906 0.656 CB 1.376 33 residues pruned to eliminate duplicates Z: 34 27.598 2.000 0.517 0.634 0.970 0.606 CB 1.440 34 residues pruned to eliminate duplicates Z: 57 40.107 2.178 0.629 0.550 0.929 0.554 CB 1.548 57 residues pruned to eliminate duplicates Z: 111 77.224 2.314 0.739 0.653 0.927 0.645 CB 1.711 111 residues pruned to eliminate duplicates Z: 110 82.450 2.317 0.808 0.661 0.927 0.633 CB 1.752 110 residues pruned to eliminate duplicates Z: 34 27.644 2.021 0.525 0.641 1.000 0.485 CB 1.368 34 residues pruned to eliminate duplicates Z: 35 23.643 2.002 0.372 0.650 0.941 0.618 CB 1.364 35 residues pruned to eliminate duplicates Z: 33 24.434 2.020 0.427 0.650 0.969 0.594 CB 1.344 33 residues pruned to eliminate duplicates Z: 104 76.217 2.307 0.683 0.660 0.951 0.660 CB 1.754 104 residues pruned to eliminate duplicates Z: 34 30.822 2.088 0.494 0.693 0.970 0.667 CB 1.488 34 residues pruned to eliminate duplicates Z: 72 48.536 2.197 0.670 0.595 0.901 0.592 CB 1.591 72 residues pruned to eliminate duplicates Z: 28 23.093 2.003 0.370 0.669 0.926 0.593 CB 1.497 28 residues pruned to eliminate duplicates Z: 152 95.398 2.293 0.780 0.706 0.954 0.629 CB 1.654 176 residues pruned to eliminate duplicates Z: 14 20.893 2.096 0.409 0.811 1.000 0.769 CA 1.496 14 residues pruned to eliminate duplicates Z: 91 71.778 2.261 0.772 0.662 0.967 0.600 CB 1.681 78 residues pruned to eliminate duplicates Z: 14 20.134 1.975 0.492 0.817 1.000 0.692 CA 1.439 14 residues pruned to eliminate duplicates Z: 90 87.537 2.400 0.805 0.690 0.978 0.640 CB 1.841 90 residues pruned to eliminate duplicates Z: 38 26.990 2.069 0.472 0.598 0.919 0.649 CB 1.443 38 residues pruned to eliminate duplicates Z: 36 26.608 2.046 0.425 0.643 0.943 0.629 CB 1.432 36 residues pruned to eliminate duplicates Z: 36 25.560 2.082 0.410 0.626 0.886 0.514 CB 1.476 36 residues pruned to eliminate duplicates Z: 110 84.236 2.336 0.791 0.659 0.945 0.642 CB 1.761 110 residues pruned to eliminate duplicates Z: 109 80.994 2.353 0.757 0.670 0.917 0.611 CB 1.757 72 residues pruned to eliminate duplicates Z: 17 34.352 2.294 1.043 0.779 0.938 0.750 CA 1.528 17 residues pruned to eliminate duplicates Z: 111 85.659 2.317 0.792 0.658 0.964 0.636 CB 1.762 111 residues pruned to eliminate duplicates Z: 18 36.693 2.301 1.300 0.735 0.882 0.588 CA 1.544 18 residues pruned to eliminate duplicates Z: 74 89.617 2.449 0.938 0.718 0.959 0.740 CA 1.892 74 residues pruned to eliminate duplicates Z: 74 86.213 2.450 0.874 0.714 0.959 0.685 CA 1.889 74 residues pruned to eliminate duplicates Z: 89 83.366 2.413 0.794 0.683 0.932 0.625 CB 1.862 89 residues pruned to eliminate duplicates Z: 56 37.037 2.129 0.596 0.608 0.891 0.582 CB 1.489 56 residues pruned to eliminate duplicates Z: 38 49.291 2.407 0.794 0.583 0.973 0.595 CA 1.781 38 residues pruned to eliminate duplicates Z: 108 78.821 2.348 0.768 0.656 0.907 0.598 CB 1.752 109 residues pruned to eliminate duplicates Z: 15 45.558 2.384 1.468 0.885 1.000 0.643 CA 1.495 15 residues pruned to eliminate duplicates Z: 90 81.458 2.371 0.841 0.678 0.921 0.607 CB 1.823 90 residues pruned to eliminate duplicates Z: 111 85.965 2.323 0.794 0.673 0.945 0.618 CB 1.772 111 residues pruned to eliminate duplicates Z: 75 86.761 2.462 0.935 0.693 0.946 0.622 CA 1.877 75 residues pruned to eliminate duplicates Z: 111 83.046 2.316 0.761 0.676 0.936 0.682 CB 1.763 63 residues pruned to eliminate duplicates Z: 18 42.826 2.438 1.074 0.780 1.000 0.824 CA 1.605 18 residues pruned to eliminate duplicates Z: 93 76.768 2.378 0.752 0.636 0.924 0.630 CB 1.830 93 residues pruned to eliminate duplicates Z: 109 84.077 2.351 0.802 0.653 0.926 0.602 CB 1.789 110 residues pruned to eliminate duplicates Z: 7 14.284 2.035 0.970 0.361 1.000 0.500 C 1.689 7 residues pruned to eliminate duplicates Z: 108 80.439 2.359 0.738 0.679 0.907 0.654 CB 1.774 108 residues pruned to eliminate duplicates Z: 89 82.576 2.428 0.785 0.689 0.932 0.693 CB 1.833 89 residues pruned to eliminate duplicates Z: 110 77.311 2.325 0.741 0.658 0.908 0.679 CB 1.739 110 residues pruned to eliminate duplicates Z: 107 73.602 2.310 0.762 0.636 0.906 0.651 CB 1.708 107 residues pruned to eliminate duplicates Z: 110 75.536 2.325 0.643 0.665 0.927 0.606 CB 1.755 110 residues pruned to eliminate duplicates Z: 101 72.365 2.276 0.805 0.631 0.910 0.550 CB 1.711 101 residues pruned to eliminate duplicates Z: 89 75.880 2.382 0.781 0.689 0.886 0.659 CB 1.809 89 residues pruned to eliminate duplicates Z: 111 78.744 2.306 0.657 0.680 0.945 0.609 CB 1.762 110 residues pruned to eliminate duplicates Z: 14 34.790 2.136 0.823 0.874 1.000 0.538 CA 1.804 14 residues pruned to eliminate duplicates Z: 88 82.472 2.417 0.829 0.672 0.920 0.621 CB 1.856 88 residues pruned to eliminate duplicates Z: 110 82.404 2.329 0.778 0.675 0.927 0.606 CB 1.751 110 residues pruned to eliminate duplicates Z: 76 49.286 2.180 0.701 0.564 0.907 0.520 CB 1.590 76 residues pruned to eliminate duplicates Z: 50 73.189 2.492 0.898 0.775 0.918 0.612 CB 1.888 50 residues pruned to eliminate duplicates Z: 110 82.726 2.334 0.744 0.675 0.945 0.651 CB 1.753 109 residues pruned to eliminate duplicates Z: 31 80.823 2.540 1.180 0.854 1.000 0.700 CB 1.968 31 residues pruned to eliminate duplicates Z: 58 72.925 2.485 0.863 0.685 0.912 0.667 CB 1.930 58 residues pruned to eliminate duplicates Z: 88 87.271 2.438 0.851 0.689 0.931 0.667 CB 1.874 88 residues pruned to eliminate duplicates Z: 40 57.037 2.380 0.863 0.711 0.923 0.564 CB 1.843 40 residues pruned to eliminate duplicates Z: 39 51.931 2.356 0.883 0.699 0.895 0.737 CB 1.770 39 residues pruned to eliminate duplicates Z: 38 53.437 2.339 1.021 0.701 0.892 0.622 CB 1.735 38 residues pruned to eliminate duplicates Z: 45 47.808 2.245 0.837 0.651 0.909 0.614 CB 1.670 45 residues pruned to eliminate duplicates Z: 38 52.954 2.368 0.853 0.706 0.919 0.649 CB 1.790 38 residues pruned to eliminate duplicates Z: 72 78.564 2.411 0.891 0.665 0.944 0.620 CB 1.861 72 residues pruned to eliminate duplicates Z: 38 52.406 2.384 0.832 0.663 0.973 0.432 CB 1.744 38 residues pruned to eliminate duplicates Z: 39 58.156 2.345 0.994 0.701 0.947 0.658 CB 1.773 39 residues pruned to eliminate duplicates Z: 46 66.742 2.389 0.940 0.728 0.933 0.644 CB 1.873 46 residues pruned to eliminate duplicates Z: 56 72.231 2.398 0.857 0.736 0.945 0.564 CB 1.871 56 residues pruned to eliminate duplicates Z: 61 59.473 2.336 0.819 0.648 0.933 0.500 CB 1.686 76 residues pruned to eliminate duplicates Z: 20 65.899 2.553 1.295 0.955 0.947 0.842 CA 1.871 20 residues pruned to eliminate duplicates Z: 108 84.980 2.334 0.842 0.668 0.925 0.589 CB 1.768 108 residues pruned to eliminate duplicates Z: 39 50.107 2.316 0.863 0.666 0.921 0.632 CB 1.755 39 residues pruned to eliminate duplicates Z: 38 53.398 2.418 0.832 0.695 0.919 0.514 CB 1.805 38 residues pruned to eliminate duplicates Z: 42 69.281 2.409 0.947 0.766 0.951 0.561 CA 1.916 42 residues pruned to eliminate duplicates Z: 111 75.916 2.301 0.734 0.658 0.927 0.545 CB 1.690 111 residues pruned to eliminate duplicates Z: 37 59.390 2.425 0.911 0.746 0.944 0.611 CB 1.815 37 residues pruned to eliminate duplicates Z: 42 66.683 2.447 0.897 0.764 0.927 0.561 CA 1.916 42 residues pruned to eliminate duplicates Z: 38 57.532 2.402 1.006 0.726 0.919 0.514 CB 1.742 38 residues pruned to eliminate duplicates Z: 37 55.802 2.438 0.817 0.734 0.944 0.500 CB 1.802 37 residues pruned to eliminate duplicates Z: 74 89.886 2.426 0.963 0.712 0.973 0.630 CB 1.873 74 residues pruned to eliminate duplicates Z: 75 88.542 2.444 0.943 0.710 0.946 0.689 CB 1.893 75 residues pruned to eliminate duplicates Z: 38 58.146 2.377 0.986 0.739 0.892 0.486 CB 1.832 38 residues pruned to eliminate duplicates Z: 36 58.152 2.439 0.921 0.715 0.943 0.600 CB 1.831 36 residues pruned to eliminate duplicates Z: 38 54.900 2.394 0.891 0.713 0.946 0.730 CB 1.737 38 residues pruned to eliminate duplicates Z: 59 69.517 2.364 0.848 0.709 0.966 0.603 CB 1.790 59 residues pruned to eliminate duplicates Z: 49 79.751 2.513 0.908 0.788 0.958 0.729 CB 1.945 49 residues pruned to eliminate duplicates Z: 6 18.188 2.677 0.121 0.846 1.000 1.000 CB 2.013 6 residues pruned to eliminate duplicates Z: 37 52.425 2.417 0.826 0.695 0.917 0.528 CB 1.808 37 residues pruned to eliminate duplicates Z: 38 57.693 2.392 1.034 0.674 0.919 0.514 CB 1.807 38 residues pruned to eliminate duplicates Z: 37 54.386 2.425 0.804 0.701 0.944 0.528 CB 1.827 37 residues pruned to eliminate duplicates Z: 52 80.617 2.444 0.967 0.768 0.980 0.627 CB 1.889 52 residues pruned to eliminate duplicates Z: 111 80.089 2.322 0.713 0.683 0.936 0.555 CB 1.733 111 residues pruned to eliminate duplicates Z: 39 48.308 2.349 0.710 0.692 0.921 0.605 CB 1.776 39 residues pruned to eliminate duplicates Z: 31 25.975 1.935 0.607 0.782 0.933 0.733 CB 1.275 39 residues pruned to eliminate duplicates Z: 11 14.766 1.843 0.565 0.871 1.000 0.800 CB 1.181 11 residues pruned to eliminate duplicates Z: 31 25.551 1.968 0.492 0.811 0.933 0.733 CB 1.299 31 residues pruned to eliminate duplicates Z: 30 27.961 1.997 0.593 0.778 0.931 0.655 CB 1.372 30 residues pruned to eliminate duplicates Z: 56 23.644 1.864 0.413 0.674 0.891 0.655 CB 1.158 56 residues pruned to eliminate duplicates Z: 29 28.488 1.976 0.532 0.812 1.000 0.714 CB 1.355 29 residues pruned to eliminate duplicates Z: 33 25.810 1.891 0.535 0.801 0.906 0.781 CB 1.333 33 residues pruned to eliminate duplicates Z: 51 30.172 1.905 0.535 0.727 0.960 0.760 CB 1.239 51 residues pruned to eliminate duplicates Z: 13 13.643 1.799 0.524 0.697 0.917 0.667 CB 1.309 13 residues pruned to eliminate duplicates Z: 32 29.532 1.949 0.486 0.844 1.000 0.774 CB 1.363 32 residues pruned to eliminate duplicates Z: 40 24.739 1.797 0.527 0.753 0.974 0.769 CB 1.183 40 residues pruned to eliminate duplicates Z: 55 27.951 1.883 0.521 0.688 0.926 0.630 CB 1.207 55 residues pruned to eliminate duplicates Z: 34 28.017 1.908 0.578 0.800 0.939 0.667 CB 1.326 34 residues pruned to eliminate duplicates Z: 62 28.847 1.884 0.484 0.712 0.918 0.689 CB 1.187 62 residues pruned to eliminate duplicates Z: 30 29.462 1.972 0.611 0.808 1.000 0.862 CB 1.317 30 residues pruned to eliminate duplicates Z: 31 32.072 1.984 0.698 0.836 0.967 0.667 CB 1.346 31 residues pruned to eliminate duplicates Z: 40 30.328 1.865 0.667 0.737 0.974 0.590 CB 1.296 40 residues pruned to eliminate duplicates Z: 20 25.419 1.961 0.822 0.919 0.947 0.737 CB 1.214 20 residues pruned to eliminate duplicates Z: 52 31.623 1.914 0.718 0.710 0.922 0.529 CB 1.208 52 residues pruned to eliminate duplicates Z: 33 30.414 1.932 0.746 0.819 0.938 0.531 CB 1.289 33 residues pruned to eliminate duplicates Z: 30 26.141 1.906 0.687 0.735 0.897 0.621 CB 1.364 30 residues pruned to eliminate duplicates Z: 33 30.405 1.938 0.659 0.845 0.969 0.688 CB 1.284 33 residues pruned to eliminate duplicates Z: 34 23.077 1.919 0.632 0.709 0.879 0.636 CB 1.207 34 residues pruned to eliminate duplicates Z: 14 25.558 2.008 1.051 0.864 0.923 0.385 CB 1.366 14 residues pruned to eliminate duplicates Z: 32 36.183 1.977 0.822 0.839 0.968 0.581 CB 1.392 32 residues pruned to eliminate duplicates Z: 15 23.447 1.992 0.894 0.797 0.929 0.643 CB 1.379 15 residues pruned to eliminate duplicates Z: 50 29.581 1.886 0.706 0.692 0.918 0.592 CB 1.199 50 residues pruned to eliminate duplicates Z: 31 34.238 1.996 0.734 0.835 1.000 0.633 CB 1.353 31 residues pruned to eliminate duplicates Z: 20 32.828 1.988 1.069 0.953 0.947 0.632 CB 1.331 20 residues pruned to eliminate duplicates Z: 51 32.518 1.878 0.706 0.742 0.960 0.580 CB 1.204 51 residues pruned to eliminate duplicates Z: 58 26.836 1.847 0.642 0.660 0.860 0.474 CB 1.175 58 residues pruned to eliminate duplicates Z: 62 35.497 1.911 0.710 0.733 0.918 0.656 CB 1.229 62 residues pruned to eliminate duplicates Z: 49 32.051 1.880 0.703 0.667 0.958 0.562 CB 1.292 49 residues pruned to eliminate duplicates Z: 65 32.919 1.883 0.553 0.730 0.938 0.672 CB 1.220 65 residues pruned to eliminate duplicates Z: 31 26.114 1.865 0.799 0.799 0.933 0.600 CB 1.172 31 residues pruned to eliminate duplicates Z: 20 13.842 1.905 0.334 0.534 0.947 0.526 CB 1.276 20 residues pruned to eliminate duplicates Z: 13 15.639 1.853 0.690 0.759 1.000 0.833 CB 1.145 13 residues pruned to eliminate duplicates Z: 27 16.707 1.769 0.706 0.639 0.808 0.385 CB 1.180 27 residues pruned to eliminate duplicates Z: 21 12.168 1.873 0.308 0.548 0.900 0.650 CB 1.177 21 residues pruned to eliminate duplicates Z: 19 13.971 1.871 0.499 0.533 0.889 0.722 CB 1.278 19 residues pruned to eliminate duplicates Z: 12 12.380 1.815 0.723 0.675 0.818 0.818 CB 1.241 12 residues pruned to eliminate duplicates Z: 19 16.407 1.900 0.528 0.573 1.000 0.611 CB 1.241 19 residues pruned to eliminate duplicates Z: 21 10.357 1.854 0.356 0.529 0.850 0.350 CB 1.053 21 residues pruned to eliminate duplicates Z: 50 35.590 1.937 0.730 0.758 0.959 0.653 CB 1.258 50 residues pruned to eliminate duplicates Z: 21 14.929 1.868 0.427 0.580 0.950 0.550 CB 1.221 21 residues pruned to eliminate duplicates Z: 12 3.722 1.781 0.213 0.282 0.727 0.364 CB 0.914 12 residues pruned to eliminate duplicates Z: 30 18.895 1.833 0.542 0.662 0.931 0.724 CB 1.148 30 residues pruned to eliminate duplicates Z: 10 5.137 1.886 0.306 0.381 0.778 0.222 CB 1.015 10 residues pruned to eliminate duplicates Z: 28 14.386 1.809 0.405 0.492 0.963 0.630 CB 1.140 28 residues pruned to eliminate duplicates Z: 32 19.322 1.809 0.611 0.572 0.935 0.516 CB 1.188 32 residues pruned to eliminate duplicates Z: 64 35.532 1.878 0.642 0.750 0.984 0.556 CB 1.180 64 residues pruned to eliminate duplicates Z: 55 28.345 1.889 0.588 0.613 0.963 0.630 CB 1.200 97 residues pruned to eliminate duplicates Z: 11 14.732 1.789 0.658 0.825 1.000 0.800 CB 1.185 11 residues pruned to eliminate duplicates Z: 31 21.501 1.851 0.588 0.641 0.967 0.567 CB 1.210 31 residues pruned to eliminate duplicates Z: 28 24.197 1.890 0.691 0.705 1.000 0.593 CB 1.209 28 residues pruned to eliminate duplicates Z: 32 18.448 1.802 0.515 0.619 0.935 0.645 CB 1.159 32 residues pruned to eliminate duplicates Z: 33 18.966 1.829 0.546 0.572 0.906 0.562 CB 1.220 33 residues pruned to eliminate duplicates Z: 32 19.029 1.817 0.625 0.644 0.968 0.484 CB 1.046 32 residues pruned to eliminate duplicates Z: 30 19.669 1.838 0.621 0.674 0.931 0.448 CB 1.122 30 residues pruned to eliminate duplicates Z: 31 19.939 1.826 0.579 0.665 0.933 0.633 CB 1.161 31 residues pruned to eliminate duplicates Z: 34 19.267 1.795 0.549 0.616 0.909 0.485 CB 1.189 34 residues pruned to eliminate duplicates Z: 54 27.964 1.907 0.597 0.618 0.887 0.585 CB 1.272 54 residues pruned to eliminate duplicates Z: 34 19.623 1.812 0.584 0.642 0.909 0.485 CB 1.146 34 residues pruned to eliminate duplicates Z: 30 12.462 1.838 0.251 0.553 0.793 0.483 CB 1.205 Z: 8 8.739 1.820 0.442 0.715 1.000 0.857 CB 1.036 8 residues pruned to eliminate duplicates Z: 14 7.781 1.800 0.513 0.476 0.692 0.385 CB 1.173 14 residues pruned to eliminate duplicates Z: 33 15.691 1.869 0.459 0.557 0.781 0.469 CB 1.232 63 residues pruned to eliminate duplicates Z: 15 13.178 2.054 0.525 0.635 0.857 0.571 CB 1.156 Z: 7 13.971 1.949 0.589 0.840 1.000 0.667 CA 1.374 8 residues pruned to eliminate duplicates Z: 8 7.664 1.534 0.402 0.857 1.000 0.714 CA 0.992 8 residues pruned to eliminate duplicates Z: 27 15.483 1.941 0.280 0.699 0.923 0.500 CB 1.104 16 residues pruned to eliminate duplicates Z: 25 17.023 1.986 0.262 0.729 0.875 0.625 CB 1.289 25 residues pruned to eliminate duplicates Z: 18 13.216 2.031 0.081 0.766 0.882 0.647 CB 1.308 18 residues pruned to eliminate duplicates Z: 63 31.179 2.020 0.512 0.605 0.935 0.597 CB 1.254 88 residues pruned to eliminate duplicates Z: 26 16.912 1.929 0.408 0.671 0.920 0.600 CB 1.156 Z: 19 16.879 1.947 0.353 0.794 1.000 0.500 CB 1.167 19 residues pruned to eliminate duplicates Z: 26 15.785 1.989 0.285 0.684 0.880 0.600 CB 1.186 26 residues pruned to eliminate duplicates Z: 59 30.944 1.894 0.481 0.681 1.000 0.586 CB 1.227 73 residues pruned to eliminate duplicates Z: 19 16.186 1.944 0.289 0.795 0.944 0.722 CB 1.245 19 residues pruned to eliminate duplicates Z: 31 12.306 1.874 0.239 0.593 0.867 0.467 CB 1.022 31 residues pruned to eliminate duplicates Z: 42 16.108 1.910 0.236 0.551 0.902 0.463 CB 1.124 27 residues pruned to eliminate duplicates Z: 12 11.572 1.860 0.366 0.775 0.909 0.818 CB 1.184 12 residues pruned to eliminate duplicates Z: 11 10.188 1.931 0.177 0.779 0.900 0.600 CB 1.231 11 residues pruned to eliminate duplicates Z: 25 16.789 1.964 0.385 0.563 0.958 0.417 CB 1.236 25 residues pruned to eliminate duplicates Z: 20 15.701 1.866 0.356 0.756 0.947 0.526 CB 1.197 20 residues pruned to eliminate duplicates Z: 28 11.038 1.849 0.227 0.545 0.889 0.519 CB 1.008 28 residues pruned to eliminate duplicates Z: 37 19.919 1.941 0.373 0.571 0.917 0.556 CB 1.269 144 residues pruned to eliminate duplicates Z: 42 20.238 1.970 0.284 0.586 0.927 0.512 CB 1.241 Z: 20 14.574 1.866 0.377 0.677 0.947 0.526 CB 1.167 20 residues pruned to eliminate duplicates Z: 67 28.858 2.013 0.396 0.596 0.955 0.606 CB 1.209 42 residues pruned to eliminate duplicates Z: 14 15.058 2.119 0.133 0.698 1.000 0.692 CB 1.451 14 residues pruned to eliminate duplicates Z: 48 24.974 2.035 0.402 0.610 0.915 0.596 CB 1.257 48 residues pruned to eliminate duplicates Z: 44 18.897 1.953 0.264 0.583 0.907 0.628 CB 1.188 44 residues pruned to eliminate duplicates Z: 12 15.626 2.125 0.309 0.696 0.909 0.727 CB 1.558 12 residues pruned to eliminate duplicates Z: 29 15.255 1.919 0.291 0.559 0.893 0.571 CB 1.230 29 residues pruned to eliminate duplicates Z: 54 24.397 1.944 0.433 0.557 0.906 0.604 CB 1.256 54 residues pruned to eliminate duplicates Z: 70 27.555 1.957 0.433 0.598 0.928 0.551 CB 1.161 63 residues pruned to eliminate duplicates Z: 12 16.898 2.137 0.261 0.766 1.000 0.545 CB 1.493 12 residues pruned to eliminate duplicates Z: 14 16.857 2.117 0.261 0.681 1.000 0.462 CA 1.483 14 residues pruned to eliminate duplicates Z: 12 16.267 2.161 0.254 0.810 1.000 0.727 CB 1.382 12 residues pruned to eliminate duplicates Z: 40 21.909 2.036 0.373 0.576 0.923 0.692 CB 1.264 40 residues pruned to eliminate duplicates Z: 109 41.486 1.920 0.544 0.682 0.944 0.537 CB 1.206 50 residues pruned to eliminate duplicates Z: 13 12.959 2.077 0.226 0.709 1.000 0.833 CB 1.215 13 residues pruned to eliminate duplicates Z: 67 27.655 2.012 0.388 0.579 0.939 0.667 CB 1.203 67 residues pruned to eliminate duplicates Z: 34 24.333 2.135 0.462 0.629 0.939 0.697 CB 1.279 34 residues pruned to eliminate duplicates Z: 38 25.113 2.079 0.503 0.608 0.919 0.514 CB 1.297 38 residues pruned to eliminate duplicates Z: 37 27.119 2.080 0.536 0.629 0.972 0.694 CB 1.289 38 residues pruned to eliminate duplicates Z: 16 28.702 2.144 0.784 0.810 0.933 0.933 CB 1.584 21 residues pruned to eliminate duplicates Z: 12 21.770 2.347 0.446 0.905 0.909 0.909 CB 1.515 12 residues pruned to eliminate duplicates Z: 19 23.929 2.202 0.714 0.645 0.944 0.667 CB 1.382 20 residues pruned to eliminate duplicates Z: 13 33.969 2.247 1.028 0.877 1.000 0.833 CB 1.562 13 residues pruned to eliminate duplicates Z: 14 34.642 2.240 0.922 0.899 1.000 0.923 CB 1.595 13 residues pruned to eliminate duplicates Z: 13 32.137 2.319 0.776 0.899 1.000 0.833 CB 1.611 13 residues pruned to eliminate duplicates Z: 17 26.350 2.204 0.820 0.783 0.875 0.750 CB 1.462 17 residues pruned to eliminate duplicates Z: 22 23.832 2.125 0.777 0.623 0.952 0.667 CB 1.287 22 residues pruned to eliminate duplicates Z: 23 23.133 2.107 0.784 0.611 0.909 0.591 CB 1.300 23 residues pruned to eliminate duplicates Z: 26 22.098 2.010 0.828 0.533 0.920 0.480 CB 1.265 26 residues pruned to eliminate duplicates Z: 19 26.247 2.135 0.832 0.663 0.944 0.667 CB 1.440 19 residues pruned to eliminate duplicates Z: 30 22.480 1.945 0.831 0.520 0.931 0.586 CB 1.235 30 residues pruned to eliminate duplicates Z: 23 26.328 2.121 0.905 0.596 0.955 0.682 CB 1.328 23 residues pruned to eliminate duplicates Z: 38 28.130 2.079 0.680 0.596 0.946 0.676 CB 1.278 38 residues pruned to eliminate duplicates Z: 39 26.322 2.101 0.591 0.571 0.947 0.579 CB 1.259 39 residues pruned to eliminate duplicates Z: 39 25.650 2.073 0.640 0.591 0.868 0.632 CB 1.292 39 residues pruned to eliminate duplicates Z: 38 25.254 2.082 0.594 0.591 0.892 0.568 CB 1.286 38 residues pruned to eliminate duplicates Z: 38 26.995 2.079 0.589 0.590 0.946 0.541 CB 1.303 38 residues pruned to eliminate duplicates Z: 85 56.274 2.158 0.699 0.682 0.976 0.655 CB 1.452 212 residues pruned to eliminate duplicates Z: 6 6.876 1.613 0.588 0.571 1.000 0.400 C 1.121 Z: 11 11.745 1.712 0.395 0.836 0.900 0.700 CB 1.294 6 residues pruned to eliminate duplicates Z: 31 44.820 2.173 0.766 0.861 0.967 0.867 CB 1.621 42 residues pruned to eliminate duplicates Z: 89 56.134 2.174 0.680 0.695 0.932 0.670 CB 1.470 89 residues pruned to eliminate duplicates Z: 47 58.800 2.264 0.846 0.792 0.978 0.739 CB 1.641 47 residues pruned to eliminate duplicates Z: 50 56.955 2.239 0.743 0.808 1.000 0.714 CB 1.593 50 residues pruned to eliminate duplicates Z: 49 57.189 2.258 0.767 0.818 0.958 0.792 CB 1.637 49 residues pruned to eliminate duplicates Z: 52 57.176 2.198 0.862 0.797 0.980 0.706 CB 1.538 52 residues pruned to eliminate duplicates Z: 52 55.294 2.193 0.865 0.779 0.961 0.667 CB 1.540 51 residues pruned to eliminate duplicates Z: 20 51.710 2.272 1.103 0.912 0.947 0.632 CA 1.856 20 residues pruned to eliminate duplicates Z: 46 62.255 2.308 0.858 0.806 1.000 0.600 CB 1.657 46 residues pruned to eliminate duplicates Z: 71 56.506 2.194 0.756 0.722 0.943 0.686 CB 1.522 71 residues pruned to eliminate duplicates Z: 48 60.134 2.287 0.810 0.805 1.000 0.723 CB 1.623 48 residues pruned to eliminate duplicates Z: 50 53.766 2.230 0.834 0.791 0.898 0.653 CB 1.620 50 residues pruned to eliminate duplicates Z: 51 55.169 2.213 0.799 0.817 0.960 0.740 CB 1.550 51 residues pruned to eliminate duplicates Z: 48 60.592 2.278 0.922 0.801 0.979 0.681 CB 1.586 48 residues pruned to eliminate duplicates Z: 35 51.730 2.285 0.868 0.784 1.000 0.618 CB 1.619 35 residues pruned to eliminate duplicates Z: 56 51.856 2.176 0.774 0.740 0.945 0.636 CB 1.546 56 residues pruned to eliminate duplicates Z: 75 59.166 2.178 0.851 0.715 0.946 0.662 CB 1.485 75 residues pruned to eliminate duplicates Z: 48 56.687 2.263 0.818 0.782 0.957 0.638 CB 1.638 48 residues pruned to eliminate duplicates Z: 51 56.194 2.212 0.898 0.787 0.940 0.600 CB 1.565 51 residues pruned to eliminate duplicates Z: 49 57.115 2.271 0.846 0.805 0.938 0.667 CB 1.608 49 residues pruned to eliminate duplicates Z: 52 53.525 2.204 0.794 0.793 0.961 0.647 CB 1.527 52 residues pruned to eliminate duplicates Z: 23 47.965 2.405 0.877 0.794 1.000 0.545 CA 1.751 23 residues pruned to eliminate duplicates Z: 49 57.863 2.245 0.850 0.808 0.979 0.708 CB 1.570 49 residues pruned to eliminate duplicates Z: 52 53.604 2.197 0.915 0.810 0.902 0.627 CB 1.510 52 residues pruned to eliminate duplicates Z: 48 59.056 2.253 0.867 0.827 0.957 0.596 CB 1.611 48 residues pruned to eliminate duplicates Z: 49 55.379 2.229 0.883 0.802 0.938 0.708 CB 1.560 49 residues pruned to eliminate duplicates Z: 87 57.663 2.182 0.748 0.691 0.930 0.663 CB 1.472 87 residues pruned to eliminate duplicates Z: 51 56.948 2.221 0.832 0.819 0.940 0.740 CB 1.596 51 residues pruned to eliminate duplicates Z: 47 59.107 2.282 0.843 0.822 0.957 0.674 CB 1.639 47 residues pruned to eliminate duplicates Z: 53 52.424 2.187 0.933 0.746 0.923 0.596 CB 1.495 53 residues pruned to eliminate duplicates Z: 49 54.438 2.233 0.923 0.783 0.917 0.500 CB 1.556 49 residues pruned to eliminate duplicates Z: 42 54.650 2.270 1.004 0.768 0.927 0.585 CB 1.598 42 residues pruned to eliminate duplicates Z: 49 60.245 2.252 0.962 0.826 0.979 0.500 CB 1.515 49 residues pruned to eliminate duplicates Z: 48 58.734 2.224 0.905 0.829 0.979 0.511 CB 1.554 48 residues pruned to eliminate duplicates Z: 50 61.884 2.245 0.915 0.808 0.980 0.633 CB 1.604 50 residues pruned to eliminate duplicates Z: 16 30.121 2.141 0.611 0.880 1.000 0.667 CB 1.633 16 residues pruned to eliminate duplicates Z: 56 49.738 2.156 0.824 0.726 0.909 0.600 CB 1.531 56 residues pruned to eliminate duplicates Z: 52 54.451 2.182 0.735 0.811 0.980 0.647 CB 1.568 52 residues pruned to eliminate duplicates Z: 72 59.371 2.196 0.873 0.729 0.944 0.549 CB 1.478 72 residues pruned to eliminate duplicates 140 residues left after pruning, divided into chains as follows: A: 6 B: 99 C: 11 D: 24 CC for partial structure against native data = 19.15 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.585, Connect. = 0.720 for dens.mod. cycle 1 = 0.300, Contrast = 0.671, Connect. = 0.756 for dens.mod. cycle 2 = 0.300, Contrast = 0.743, Connect. = 0.787 for dens.mod. cycle 3 = 0.300, Contrast = 0.743, Connect. = 0.793 for dens.mod. cycle 4 = 0.300, Contrast = 0.748, Connect. = 0.798 for dens.mod. cycle 5 = 0.300, Contrast = 0.749, Connect. = 0.802 for dens.mod. cycle 6 = 0.300, Contrast = 0.750, Connect. = 0.805 for dens.mod. cycle 7 = 0.300, Contrast = 0.750, Connect. = 0.807 for dens.mod. cycle 8 = 0.300, Contrast = 0.751, Connect. = 0.809 for dens.mod. cycle 9 = 0.300, Contrast = 0.750, Connect. = 0.810 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1926 peaks > 0.5 sigma used to seed fragment search Space for about 486 unique residues taking solvent into account 415 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 29.623 2.398 0.479 0.808 0.923 0.538 CB 1.919 B: 16 51.709 2.478 1.164 0.859 1.000 0.733 CA 1.831 C: 22 66.600 2.507 1.125 0.939 1.000 0.810 CA 1.895 D: 14 60.904 2.652 1.231 0.920 1.000 0.769 CA 2.010 14 residues pruned to eliminate duplicates E: 11 50.112 2.584 1.465 0.881 1.000 0.800 CA 1.802 11 residues pruned to eliminate duplicates F: 22 59.294 2.479 1.140 0.859 0.952 0.762 CA 1.884 22 residues pruned to eliminate duplicates G: 21 74.956 2.594 1.241 0.937 1.000 0.900 CB 2.006 22 residues pruned to eliminate duplicates H: 21 59.323 2.544 0.842 0.931 1.000 0.950 CA 1.978 21 residues pruned to eliminate duplicates I: 21 67.762 2.573 1.156 0.928 1.000 0.900 CA 1.913 21 residues pruned to eliminate duplicates J: 14 28.886 2.285 0.446 0.829 1.000 0.462 CA 1.824 13 residues pruned to eliminate duplicates K: 20 77.029 2.669 1.202 0.933 1.000 0.789 CA 2.098 20 residues pruned to eliminate duplicates L: 21 59.629 2.515 0.957 0.913 1.000 0.800 CA 1.917 21 residues pruned to eliminate duplicates M: 17 24.709 2.292 0.303 0.851 0.875 0.562 CB 1.750 N: 15 40.257 2.587 0.826 0.838 0.929 0.857 CA 1.834 15 residues pruned to eliminate duplicates O: 23 58.201 2.387 1.054 0.935 1.000 1.000 CA 1.763 23 residues pruned to eliminate duplicates P: 14 45.569 2.615 0.900 0.889 1.000 1.000 CA 1.831 14 residues pruned to eliminate duplicates Q: 21 70.660 2.549 1.198 0.928 1.000 0.900 CA 1.975 21 residues pruned to eliminate duplicates R: 13 31.186 2.262 0.571 0.904 0.917 0.750 O 1.969 14 residues pruned to eliminate duplicates S: 15 51.101 2.608 1.279 0.853 0.929 0.714 CA 1.830 15 residues pruned to eliminate duplicates T: 17 36.348 2.355 0.564 0.876 0.938 0.812 CA 1.912 U: 22 57.768 2.475 1.091 0.846 0.952 0.810 CB 1.900 22 residues pruned to eliminate duplicates V: 14 32.785 2.237 0.620 0.866 1.000 0.692 CB 1.837 14 residues pruned to eliminate duplicates W: 22 61.054 2.466 1.067 0.914 1.000 0.714 CA 1.848 22 residues pruned to eliminate duplicates X: 21 76.608 2.601 1.351 0.944 0.950 0.850 CA 2.042 21 residues pruned to eliminate duplicates Y: 14 37.242 2.253 0.685 0.901 1.000 0.692 CA 1.942 14 residues pruned to eliminate duplicates Z: 22 57.474 2.462 1.078 0.895 0.952 0.857 CA 1.845 22 residues pruned to eliminate duplicates Z: 21 60.247 2.562 1.027 0.913 0.950 0.700 CA 1.932 21 residues pruned to eliminate duplicates Z: 22 59.844 2.500 1.065 0.894 0.952 0.857 CA 1.906 22 residues pruned to eliminate duplicates Z: 16 46.454 2.551 1.167 0.848 0.933 0.600 CA 1.725 16 residues pruned to eliminate duplicates Z: 22 47.883 2.509 1.020 0.821 0.905 0.714 CA 1.726 22 residues pruned to eliminate duplicates Z: 15 29.706 2.356 0.404 0.859 1.000 0.643 CA 1.767 15 residues pruned to eliminate duplicates Z: 14 47.696 2.596 1.017 0.876 1.000 0.615 CA 1.837 14 residues pruned to eliminate duplicates Z: 17 33.066 2.336 0.531 0.862 0.938 0.625 CB 1.809 17 residues pruned to eliminate duplicates Z: 7 6.315 1.862 0.128 0.497 0.833 0.167 CA 1.477 Z: 22 65.015 2.479 1.135 0.918 1.000 0.714 CA 1.890 22 residues pruned to eliminate duplicates Z: 21 65.847 2.594 1.077 0.917 1.000 0.800 CA 1.930 21 residues pruned to eliminate duplicates Z: 18 22.693 2.122 0.600 0.842 0.824 0.529 CB 1.466 17 residues pruned to eliminate duplicates Z: 16 49.720 2.508 1.178 0.826 1.000 0.733 CA 1.774 16 residues pruned to eliminate duplicates Z: 13 31.981 2.371 0.546 0.833 1.000 0.750 CB 1.890 13 residues pruned to eliminate duplicates Z: 17 25.974 2.276 0.377 0.852 1.000 0.625 CB 1.533 17 residues pruned to eliminate duplicates Z: 16 38.612 2.497 0.898 0.836 0.933 0.467 CA 1.687 16 residues pruned to eliminate duplicates Z: 21 63.898 2.554 1.034 0.905 1.000 0.650 CA 1.957 21 residues pruned to eliminate duplicates Z: 13 27.376 2.177 0.543 0.910 0.917 0.917 CB 1.820 13 residues pruned to eliminate duplicates Z: 18 30.281 2.250 0.489 0.859 0.941 0.824 CA 1.714 18 residues pruned to eliminate duplicates Z: 17 26.961 2.311 0.563 0.857 0.812 0.562 CB 1.691 17 residues pruned to eliminate duplicates Z: 16 34.602 2.330 0.865 0.847 0.933 0.533 CB 1.635 15 residues pruned to eliminate duplicates Z: 21 73.420 2.562 1.398 0.936 0.950 0.500 CB 1.959 21 residues pruned to eliminate duplicates Z: 14 24.639 2.226 0.515 0.812 1.000 0.692 CA 1.544 Z: 11 27.033 2.568 0.406 0.845 0.900 0.600 CA 1.956 11 residues pruned to eliminate duplicates Z: 17 34.605 2.319 0.576 0.887 0.938 0.875 CB 1.820 17 residues pruned to eliminate duplicates Z: 16 21.829 2.350 0.114 0.871 1.000 0.667 CB 1.571 16 residues pruned to eliminate duplicates Z: 14 25.163 2.108 0.469 0.893 0.923 0.769 CA 1.753 14 residues pruned to eliminate duplicates Z: 15 41.918 2.509 0.784 0.915 1.000 0.786 CB 1.768 16 residues pruned to eliminate duplicates Z: 15 26.304 2.097 0.491 0.881 1.000 0.643 CB 1.628 14 residues pruned to eliminate duplicates Z: 18 26.386 2.180 0.598 0.830 0.882 0.765 CB 1.566 18 residues pruned to eliminate duplicates Z: 15 29.546 2.391 0.280 0.886 1.000 0.714 CB 1.862 15 residues pruned to eliminate duplicates Z: 18 24.448 2.211 0.310 0.817 1.000 0.588 CB 1.555 Z: 6 11.169 1.889 0.326 0.776 1.000 0.800 CA 1.563 7 residues pruned to eliminate duplicates Z: 14 22.278 2.131 0.564 0.792 0.923 0.769 CB 1.554 15 residues pruned to eliminate duplicates Z: 14 29.352 2.271 0.520 0.843 1.000 0.692 CA 1.755 14 residues pruned to eliminate duplicates Z: 18 27.222 2.206 0.500 0.852 0.941 0.647 CB 1.568 18 residues pruned to eliminate duplicates Z: 13 24.861 2.346 0.351 0.811 0.917 0.750 CA 1.884 13 residues pruned to eliminate duplicates Z: 15 49.880 2.549 1.248 0.872 0.929 0.500 CA 1.826 15 residues pruned to eliminate duplicates Z: 18 30.729 2.204 0.518 0.868 1.000 0.647 CB 1.629 18 residues pruned to eliminate duplicates Z: 16 29.150 2.392 0.667 0.853 0.867 0.533 CB 1.610 16 residues pruned to eliminate duplicates Z: 22 52.905 2.434 0.890 0.891 0.952 0.714 CB 1.894 22 residues pruned to eliminate duplicates Z: 7 14.488 1.940 0.574 0.711 1.000 0.500 CB 1.601 7 residues pruned to eliminate duplicates Z: 15 23.641 2.024 1.025 0.872 0.786 0.429 CB 1.430 Z: 17 26.799 2.290 0.475 0.838 0.875 0.688 CB 1.695 17 residues pruned to eliminate duplicates Z: 18 26.196 2.263 0.545 0.857 0.824 0.471 CB 1.626 18 residues pruned to eliminate duplicates Z: 34 38.561 2.228 0.741 0.687 0.939 0.606 CB 1.552 24 residues pruned to eliminate duplicates Z: 14 28.214 2.249 0.420 0.862 1.000 0.846 CA 1.799 14 residues pruned to eliminate duplicates Z: 14 47.165 2.570 1.059 0.861 1.000 0.538 CA 1.816 14 residues pruned to eliminate duplicates Z: 16 53.598 2.485 1.312 0.831 1.000 0.667 CA 1.810 16 residues pruned to eliminate duplicates Z: 18 23.250 2.174 0.394 0.807 0.824 0.529 CB 1.728 18 residues pruned to eliminate duplicates Z: 13 32.665 2.334 0.773 0.882 0.833 0.750 O 1.978 13 residues pruned to eliminate duplicates Z: 16 23.548 2.321 0.473 0.805 0.867 0.533 CB 1.573 16 residues pruned to eliminate duplicates Z: 14 27.741 2.509 0.408 0.864 0.846 0.615 CB 1.887 14 residues pruned to eliminate duplicates Z: 19 28.456 2.238 0.400 0.822 1.000 0.611 CB 1.619 18 residues pruned to eliminate duplicates Z: 13 16.089 1.953 0.352 0.806 0.917 0.667 CB 1.470 13 residues pruned to eliminate duplicates Z: 10 18.068 2.515 0.073 0.874 1.000 0.556 CB 1.624 10 residues pruned to eliminate duplicates Z: 15 22.490 2.363 0.284 0.873 0.929 0.643 CB 1.553 15 residues pruned to eliminate duplicates Z: 14 21.482 2.249 0.259 0.764 1.000 0.692 CA 1.665 13 residues pruned to eliminate duplicates Z: 13 39.771 2.507 0.755 0.907 1.000 0.667 CB 1.854 14 residues pruned to eliminate duplicates Z: 21 32.668 2.070 0.729 0.911 0.950 0.550 CB 1.523 24 residues pruned to eliminate duplicates Z: 10 24.543 2.582 0.248 0.836 1.000 0.778 CB 1.900 10 residues pruned to eliminate duplicates Z: 14 23.556 2.110 0.472 0.793 1.000 0.769 CA 1.627 14 residues pruned to eliminate duplicates Z: 17 51.186 2.374 1.371 0.878 1.000 0.625 CA 1.649 16 residues pruned to eliminate duplicates Z: 19 22.096 2.064 0.494 0.831 0.944 0.667 CB 1.343 19 residues pruned to eliminate duplicates Z: 22 47.340 2.410 0.901 0.885 0.952 0.905 CA 1.709 22 residues pruned to eliminate duplicates Z: 14 22.801 2.153 0.365 0.873 0.923 0.615 CA 1.698 14 residues pruned to eliminate duplicates Z: 19 25.186 2.154 0.457 0.796 0.944 0.556 CB 1.545 19 residues pruned to eliminate duplicates Z: 15 16.409 1.805 0.575 0.832 1.000 0.786 CB 1.158 Z: 11 14.756 1.977 0.526 0.809 0.900 0.800 CB 1.313 Z: 21 34.638 1.997 0.864 0.917 0.950 0.550 CA 1.546 21 residues pruned to eliminate duplicates Z: 93 77.730 2.425 0.739 0.669 0.946 0.663 CB 1.738 88 residues pruned to eliminate duplicates Z: 12 17.503 2.025 0.448 0.868 0.909 0.636 CB 1.447 12 residues pruned to eliminate duplicates Z: 15 15.328 1.891 0.466 0.755 1.000 0.786 CB 1.177 14 residues pruned to eliminate duplicates Z: 20 35.188 2.063 0.883 0.922 1.000 0.842 CA 1.461 20 residues pruned to eliminate duplicates Z: 21 31.876 2.089 0.692 0.909 0.950 0.700 CA 1.506 21 residues pruned to eliminate duplicates Z: 19 26.137 2.159 0.560 0.800 0.944 0.722 CB 1.489 19 residues pruned to eliminate duplicates Z: 17 35.964 2.310 0.653 0.868 0.938 0.750 CB 1.835 17 residues pruned to eliminate duplicates Z: 13 21.375 2.178 0.379 0.837 0.917 0.833 CA 1.676 13 residues pruned to eliminate duplicates Z: 20 22.783 2.009 0.795 0.950 0.947 0.737 CB 1.055 Z: 18 26.680 2.290 0.470 0.806 0.941 0.647 CB 1.564 18 residues pruned to eliminate duplicates Z: 8 17.506 2.583 -0.026 0.878 1.000 1.000 CB 1.910 8 residues pruned to eliminate duplicates Z: 38 40.928 2.362 0.664 0.672 0.865 0.568 CB 1.689 38 residues pruned to eliminate duplicates Z: 20 24.843 2.172 0.490 0.818 0.947 0.579 CB 1.410 20 residues pruned to eliminate duplicates Z: 13 24.849 1.932 1.213 0.927 1.000 0.667 CA 1.176 13 residues pruned to eliminate duplicates Z: 18 32.447 2.265 0.521 0.860 0.941 0.824 CB 1.785 18 residues pruned to eliminate duplicates Z: 20 23.170 2.120 0.344 0.830 1.000 0.684 CB 1.402 20 residues pruned to eliminate duplicates Z: 14 20.858 2.196 0.439 0.784 0.846 0.462 CB 1.685 14 residues pruned to eliminate duplicates Z: 54 68.076 2.535 0.583 0.744 0.962 0.717 CB 1.947 54 residues pruned to eliminate duplicates Z: 16 44.861 2.393 1.530 0.827 0.933 0.733 CA 1.544 16 residues pruned to eliminate duplicates Z: 10 6.099 1.657 0.692 0.432 0.556 0.444 CB 1.401 Z: 19 21.919 2.218 0.332 0.794 0.944 0.611 CB 1.432 19 residues pruned to eliminate duplicates Z: 33 27.547 2.301 0.491 0.564 0.844 0.500 CB 1.581 50 residues pruned to eliminate duplicates Z: 13 38.145 2.609 0.647 0.906 1.000 0.833 CA 1.822 13 residues pruned to eliminate duplicates Z: 95 75.934 2.424 0.673 0.647 0.926 0.489 CB 1.818 42 residues pruned to eliminate duplicates Z: 97 79.593 2.402 0.793 0.642 0.948 0.615 CB 1.742 57 residues pruned to eliminate duplicates Z: 20 20.083 2.124 0.197 0.787 1.000 0.474 CB 1.408 20 residues pruned to eliminate duplicates Z: 110 87.203 2.492 0.731 0.659 0.899 0.661 CB 1.858 55 residues pruned to eliminate duplicates Z: 19 20.919 2.209 0.205 0.798 1.000 0.611 CB 1.428 19 residues pruned to eliminate duplicates Z: 18 27.795 2.233 0.466 0.836 0.941 0.647 CB 1.638 18 residues pruned to eliminate duplicates Z: 10 6.756 1.462 0.090 0.838 0.889 0.444 CB 1.188 Z: 16 52.041 2.601 1.190 0.889 0.933 0.600 CB 1.819 16 residues pruned to eliminate duplicates Z: 23 26.210 1.948 1.068 0.881 0.955 0.773 CB 1.052 20 residues pruned to eliminate duplicates Z: 21 53.445 2.531 0.806 0.908 1.000 0.850 CA 1.856 21 residues pruned to eliminate duplicates Z: 15 24.058 2.067 0.716 0.868 0.857 0.643 CA 1.546 15 residues pruned to eliminate duplicates Z: 8 8.530 1.605 0.107 0.805 1.000 0.429 O 1.391 7 residues pruned to eliminate duplicates Z: 16 17.010 1.946 0.372 0.726 1.000 0.667 CB 1.341 13 residues pruned to eliminate duplicates Z: 55 52.819 2.397 0.627 0.651 0.907 0.648 CB 1.764 55 residues pruned to eliminate duplicates Z: 18 23.113 2.121 0.467 0.778 0.941 0.353 CB 1.498 18 residues pruned to eliminate duplicates Z: 21 35.911 2.094 0.847 0.946 0.950 0.850 CA 1.511 21 residues pruned to eliminate duplicates Z: 12 15.656 1.912 0.341 0.907 1.000 0.909 CB 1.309 12 residues pruned to eliminate duplicates Z: 12 20.691 2.026 0.625 0.906 1.000 1.000 CB 1.348 12 residues pruned to eliminate duplicates Z: 7 5.710 1.513 0.483 0.552 0.833 0.333 O 1.185 7 residues pruned to eliminate duplicates Z: 11 21.999 2.390 0.475 0.860 0.700 0.500 CB 2.073 11 residues pruned to eliminate duplicates Z: 20 23.687 2.151 0.434 0.793 0.947 0.474 CB 1.438 20 residues pruned to eliminate duplicates Z: 22 28.356 1.987 0.723 0.910 0.905 0.714 CA 1.416 22 residues pruned to eliminate duplicates Z: 21 20.875 2.021 0.204 0.883 1.000 0.800 CA 1.387 21 residues pruned to eliminate duplicates Z: 14 16.993 1.971 0.454 0.791 0.923 0.769 CB 1.380 14 residues pruned to eliminate duplicates Z: 17 27.098 2.162 0.377 0.857 1.000 0.812 CB 1.677 17 residues pruned to eliminate duplicates Z: 29 21.632 1.853 0.506 0.646 0.964 0.821 CB 1.324 15 residues pruned to eliminate duplicates Z: 94 82.356 2.487 0.763 0.636 0.925 0.602 CB 1.854 41 residues pruned to eliminate duplicates Z: 20 72.809 2.656 1.175 0.939 1.000 0.632 CB 2.010 20 residues pruned to eliminate duplicates Z: 17 35.099 2.322 0.554 0.909 1.000 0.750 CA 1.726 17 residues pruned to eliminate duplicates Z: 14 18.347 1.965 0.632 0.935 1.000 1.000 CB 1.106 14 residues pruned to eliminate duplicates Z: 21 26.319 2.039 0.920 0.923 0.900 0.650 CB 1.174 22 residues pruned to eliminate duplicates Z: 55 54.264 2.361 0.682 0.633 0.944 0.648 CB 1.739 55 residues pruned to eliminate duplicates Z: 21 33.285 2.070 0.699 0.909 1.000 0.900 CA 1.503 21 residues pruned to eliminate duplicates Z: 23 29.496 1.911 0.621 0.941 1.000 0.818 CA 1.408 23 residues pruned to eliminate duplicates Z: 18 17.866 1.969 0.535 0.705 0.882 0.647 CB 1.348 19 residues pruned to eliminate duplicates Z: 15 12.616 1.857 0.207 0.936 1.000 0.786 CB 1.047 14 residues pruned to eliminate duplicates Z: 21 30.730 2.066 0.724 0.916 0.950 0.800 CA 1.434 21 residues pruned to eliminate duplicates Z: 20 35.239 1.984 0.942 0.927 1.000 0.737 CA 1.470 20 residues pruned to eliminate duplicates Z: 11 18.082 1.943 0.647 0.899 1.000 0.900 CB 1.277 11 residues pruned to eliminate duplicates Z: 15 39.362 2.572 0.766 0.888 1.000 0.857 CA 1.668 15 residues pruned to eliminate duplicates Z: 20 29.807 2.395 0.481 0.793 0.895 0.684 CB 1.667 20 residues pruned to eliminate duplicates Z: 9 7.783 1.648 0.576 0.808 1.000 0.500 CB 0.810 Z: 21 31.601 2.022 0.665 0.937 1.000 0.950 CA 1.461 21 residues pruned to eliminate duplicates Z: 14 15.885 1.848 0.383 0.810 1.000 0.615 CA 1.316 Z: 11 30.931 2.377 0.610 0.894 1.000 0.300 CB 1.834 11 residues pruned to eliminate duplicates Z: 13 14.625 1.867 0.326 0.811 1.000 0.667 CA 1.301 13 residues pruned to eliminate duplicates Z: 14 17.457 2.021 0.350 0.843 0.923 0.846 CB 1.431 14 residues pruned to eliminate duplicates Z: 22 25.940 1.941 0.819 0.903 1.000 0.667 CB 1.143 22 residues pruned to eliminate duplicates Z: 21 27.138 2.028 0.895 0.950 1.000 0.700 CB 1.089 21 residues pruned to eliminate duplicates Z: 10 11.565 1.934 0.252 0.782 0.889 0.556 CA 1.397 10 residues pruned to eliminate duplicates Z: 21 29.822 2.019 0.737 0.897 0.950 0.650 CA 1.433 21 residues pruned to eliminate duplicates Z: 14 13.741 2.112 0.533 0.771 0.692 0.615 CB 1.338 14 residues pruned to eliminate duplicates Z: 20 24.186 2.018 0.764 0.942 0.947 0.684 CB 1.141 20 residues pruned to eliminate duplicates Z: 29 21.432 1.866 0.437 0.646 0.964 0.750 CB 1.367 28 residues pruned to eliminate duplicates Z: 36 41.100 2.445 0.849 0.600 0.800 0.543 CB 1.747 36 residues pruned to eliminate duplicates Z: 21 31.090 2.073 0.816 0.910 0.900 0.700 CA 1.455 21 residues pruned to eliminate duplicates Z: 42 49.137 2.253 0.740 0.787 0.951 0.561 CB 1.599 42 residues pruned to eliminate duplicates Z: 17 24.432 2.197 0.400 0.835 1.000 0.500 CB 1.488 17 residues pruned to eliminate duplicates Z: 22 18.714 2.166 0.544 0.448 0.762 0.571 CB 1.690 22 residues pruned to eliminate duplicates Z: 39 55.027 2.504 0.981 0.577 0.895 0.474 CB 1.868 39 residues pruned to eliminate duplicates Z: 13 23.620 1.962 0.936 0.906 1.000 0.917 CA 1.277 13 residues pruned to eliminate duplicates Z: 22 22.246 1.928 0.815 0.894 1.000 0.810 CB 0.995 22 residues pruned to eliminate duplicates Z: 13 18.432 1.942 0.583 0.884 1.000 0.833 CB 1.250 13 residues pruned to eliminate duplicates Z: 21 35.589 2.019 0.936 0.902 0.950 0.700 CB 1.529 21 residues pruned to eliminate duplicates Z: 22 28.318 2.014 0.948 0.929 0.952 0.619 CB 1.158 22 residues pruned to eliminate duplicates Z: 18 19.705 1.963 0.473 0.760 1.000 0.588 CB 1.312 18 residues pruned to eliminate duplicates Z: 11 15.278 1.975 0.498 0.782 0.900 0.600 CA 1.415 11 residues pruned to eliminate duplicates Z: 14 10.849 1.742 0.338 0.825 0.769 0.692 CA 1.267 14 residues pruned to eliminate duplicates Z: 11 11.502 1.490 0.518 0.898 1.000 0.800 CB 1.150 9 residues pruned to eliminate duplicates Z: 12 24.214 2.002 1.321 0.917 0.909 0.273 CB 1.220 14 residues pruned to eliminate duplicates Z: 6 8.707 2.013 0.044 0.738 1.000 0.600 CA 1.496 6 residues pruned to eliminate duplicates Z: 12 11.683 1.789 0.436 0.804 0.818 0.727 CB 1.286 12 residues pruned to eliminate duplicates Z: 48 51.732 2.199 0.797 0.783 0.915 0.426 CB 1.627 48 residues pruned to eliminate duplicates Z: 11 10.575 1.764 0.616 0.789 1.000 0.800 CB 0.910 Z: 21 35.318 2.067 1.231 0.949 1.000 0.650 CB 1.182 21 residues pruned to eliminate duplicates Z: 18 20.289 1.961 0.534 0.747 0.941 0.706 CB 1.394 18 residues pruned to eliminate duplicates Z: 21 21.567 1.972 0.526 0.925 1.000 0.850 CB 1.124 21 residues pruned to eliminate duplicates Z: 21 32.528 2.083 0.818 0.918 0.900 0.800 CA 1.505 21 residues pruned to eliminate duplicates Z: 19 25.407 2.240 0.521 0.820 0.889 0.500 CB 1.498 Z: 22 26.120 1.972 0.913 0.896 1.000 0.714 CB 1.082 22 residues pruned to eliminate duplicates Z: 11 8.000 1.527 0.237 0.854 1.000 0.500 CB 0.989 Z: 72 56.803 2.410 0.619 0.609 0.859 0.535 CB 1.814 72 residues pruned to eliminate duplicates Z: 11 13.495 1.585 0.598 0.922 1.000 0.700 CB 1.184 12 residues pruned to eliminate duplicates Z: 28 24.397 2.206 0.401 0.610 0.926 0.630 CB 1.478 28 residues pruned to eliminate duplicates Z: 65 82.751 2.579 0.942 0.650 0.922 0.547 CB 1.948 65 residues pruned to eliminate duplicates Z: 19 32.433 2.513 0.479 0.777 0.944 0.833 CB 1.706 19 residues pruned to eliminate duplicates Z: 8 9.983 1.549 0.533 0.895 1.000 0.714 CA 1.139 8 residues pruned to eliminate duplicates Z: 34 37.361 2.432 0.490 0.614 0.879 0.576 CB 1.832 34 residues pruned to eliminate duplicates Z: 12 10.394 1.510 0.441 0.923 1.000 0.909 CB 1.011 11 residues pruned to eliminate duplicates Z: 14 26.318 1.879 0.993 0.881 1.000 0.769 CB 1.411 13 residues pruned to eliminate duplicates Z: 15 33.853 2.424 0.440 0.880 1.000 0.714 CB 1.878 34 residues pruned to eliminate duplicates Z: 7 3.429 1.615 -0.099 0.577 1.000 0.833 CB 0.893 6 residues pruned to eliminate duplicates Z: 12 10.849 1.454 0.674 0.873 0.909 0.727 CA 1.077 12 residues pruned to eliminate duplicates Z: 11 21.134 2.026 0.781 0.872 1.000 0.700 CB 1.350 11 residues pruned to eliminate duplicates Z: 19 20.150 2.034 0.467 0.809 0.889 0.556 CB 1.367 19 residues pruned to eliminate duplicates Z: 24 17.957 1.875 0.304 0.903 1.000 0.783 CB 1.091 24 residues pruned to eliminate duplicates Z: 12 10.407 1.529 0.359 0.887 0.909 0.818 CB 1.198 12 residues pruned to eliminate duplicates Z: 14 10.631 1.792 0.638 0.578 0.923 0.462 CB 1.010 10 residues pruned to eliminate duplicates Z: 41 24.426 2.205 0.444 0.473 0.900 0.500 CB 1.386 41 residues pruned to eliminate duplicates Z: 15 37.012 2.382 0.681 0.921 0.929 0.714 CB 1.872 15 residues pruned to eliminate duplicates Z: 9 6.578 1.693 0.398 0.482 0.875 0.500 CB 1.144 7 residues pruned to eliminate duplicates Z: 16 15.999 1.912 0.450 0.699 1.000 0.667 CB 1.243 16 residues pruned to eliminate duplicates Z: 10 7.860 1.407 0.770 0.862 1.000 0.556 CB 0.772 Z: 12 8.140 1.527 0.255 0.902 1.000 0.909 CB 0.913 12 residues pruned to eliminate duplicates Z: 11 11.804 1.509 0.481 0.876 1.000 0.600 CA 1.214 10 residues pruned to eliminate duplicates Z: 12 9.526 1.864 0.376 0.735 1.000 0.727 CB 0.907 12 residues pruned to eliminate duplicates Z: 20 19.210 1.681 0.826 0.951 1.000 0.632 CB 0.990 Z: 14 27.485 1.894 1.289 0.936 0.923 0.692 CB 1.326 14 residues pruned to eliminate duplicates Z: 21 34.676 2.087 0.783 0.930 0.950 0.800 CA 1.534 21 residues pruned to eliminate duplicates Z: 21 24.694 2.033 0.886 0.935 0.900 0.550 CB 1.115 21 residues pruned to eliminate duplicates Z: 9 7.652 1.425 0.445 0.875 0.875 0.625 CA 1.093 9 residues pruned to eliminate duplicates Z: 18 13.372 1.667 0.401 0.926 1.000 0.941 CB 0.974 17 residues pruned to eliminate duplicates Z: 18 26.337 2.258 0.451 0.793 0.941 0.588 CB 1.602 18 residues pruned to eliminate duplicates Z: 21 18.992 1.704 0.838 0.931 0.950 0.650 CB 0.997 21 residues pruned to eliminate duplicates Z: 16 29.101 2.252 0.602 0.880 0.933 0.600 CB 1.617 16 residues pruned to eliminate duplicates Z: 11 9.057 1.546 0.159 0.888 1.000 0.700 CB 1.151 11 residues pruned to eliminate duplicates Z: 22 28.779 1.966 0.662 0.912 0.952 0.857 CA 1.430 22 residues pruned to eliminate duplicates Z: 15 20.504 1.918 0.730 0.813 1.000 0.786 CB 1.258 13 residues pruned to eliminate duplicates Z: 16 14.519 1.971 0.330 0.776 0.933 0.800 CB 1.201 16 residues pruned to eliminate duplicates Z: 40 67.379 2.590 0.786 0.767 0.949 0.641 CB 1.939 40 residues pruned to eliminate duplicates Z: 11 11.493 1.589 0.388 0.891 1.000 0.600 CB 1.184 11 residues pruned to eliminate duplicates Z: 7 7.414 1.488 0.707 0.855 1.000 0.500 CB 0.879 8 residues pruned to eliminate duplicates Z: 14 10.720 1.591 0.263 0.759 1.000 0.615 CB 1.175 14 residues pruned to eliminate duplicates Z: 14 13.702 1.773 0.371 0.808 1.000 0.769 CA 1.195 14 residues pruned to eliminate duplicates Z: 20 31.636 2.020 0.775 0.915 0.895 0.632 CB 1.598 20 residues pruned to eliminate duplicates Z: 13 10.817 1.797 0.207 0.811 1.000 0.667 CB 1.098 13 residues pruned to eliminate duplicates Z: 13 31.763 2.273 0.747 0.857 0.917 0.583 CA 1.856 Z: 12 8.447 1.495 0.265 0.887 1.000 0.818 CB 0.971 12 residues pruned to eliminate duplicates Z: 15 24.315 2.112 0.517 0.735 1.000 0.500 CA 1.642 15 residues pruned to eliminate duplicates Z: 8 8.914 1.479 0.764 0.867 1.000 1.000 CB 0.945 8 residues pruned to eliminate duplicates Z: 9 6.105 1.693 0.857 0.402 0.750 0.375 CB 1.015 9 residues pruned to eliminate duplicates Z: 11 10.742 1.576 0.433 0.907 0.900 0.900 CB 1.188 12 residues pruned to eliminate duplicates Z: 14 21.114 2.220 0.164 0.797 1.000 0.769 CA 1.747 Z: 6 6.531 1.583 0.200 0.833 1.000 0.800 CB 1.153 Z: 11 7.458 1.524 0.475 0.846 0.900 0.600 CB 0.866 Z: 13 14.467 1.732 0.740 0.919 1.000 0.917 CB 0.977 13 residues pruned to eliminate duplicates Z: 10 9.458 1.671 0.522 0.905 1.000 1.000 CB 0.882 10 residues pruned to eliminate duplicates Z: 11 18.375 1.554 1.077 0.934 1.000 0.600 CB 1.255 11 residues pruned to eliminate duplicates Z: 17 16.091 1.677 0.789 0.926 1.000 0.500 CB 0.941 17 residues pruned to eliminate duplicates Z: 14 17.170 2.075 0.272 0.771 0.923 0.615 CB 1.538 14 residues pruned to eliminate duplicates Z: 17 35.685 2.232 0.796 0.865 0.938 0.875 CB 1.740 17 residues pruned to eliminate duplicates Z: 32 18.036 1.797 0.479 0.642 0.903 0.645 CB 1.182 32 residues pruned to eliminate duplicates Z: 11 5.700 1.454 0.534 0.776 0.700 0.200 CB 0.904 11 residues pruned to eliminate duplicates Z: 18 17.020 1.731 0.618 0.915 1.000 0.882 CB 1.041 18 residues pruned to eliminate duplicates Z: 22 22.087 1.875 1.123 0.913 0.857 0.333 CB 1.000 22 residues pruned to eliminate duplicates Z: 21 27.808 2.043 0.400 0.910 1.000 0.850 CA 1.541 21 residues pruned to eliminate duplicates Z: 21 26.390 2.031 0.522 0.926 0.950 0.850 CA 1.409 21 residues pruned to eliminate duplicates Z: 14 11.117 1.849 0.174 0.896 1.000 0.769 CB 1.017 14 residues pruned to eliminate duplicates Z: 13 22.593 1.922 0.931 0.888 1.000 0.750 CA 1.266 13 residues pruned to eliminate duplicates Z: 17 54.280 2.450 1.066 0.929 1.000 1.000 CA 1.876 17 residues pruned to eliminate duplicates Z: 8 6.149 1.763 0.112 0.367 1.000 0.429 N 1.367 Z: 10 8.762 1.633 0.428 0.892 1.000 0.778 CB 0.900 11 residues pruned to eliminate duplicates Z: 7 2.745 1.570 0.285 0.324 0.667 0.333 CB 1.011 Z: 16 41.658 2.446 0.644 0.907 1.000 0.933 CB 1.901 16 residues pruned to eliminate duplicates Z: 18 22.527 2.179 0.384 0.819 0.941 0.765 CB 1.459 18 residues pruned to eliminate duplicates Z: 10 7.858 2.031 0.437 0.320 0.778 0.444 CA 1.407 10 residues pruned to eliminate duplicates Z: 17 30.479 2.189 0.592 0.855 0.938 0.688 CB 1.722 17 residues pruned to eliminate duplicates Z: 10 13.043 1.604 0.493 0.925 1.000 1.000 CA 1.274 10 residues pruned to eliminate duplicates Z: 25 32.261 2.259 0.922 0.546 0.917 0.542 CA 1.581 25 residues pruned to eliminate duplicates Z: 18 16.071 1.719 0.807 0.897 0.941 0.529 CB 0.955 18 residues pruned to eliminate duplicates Z: 11 9.474 1.535 0.221 0.900 0.900 0.800 CB 1.268 11 residues pruned to eliminate duplicates Z: 8 7.803 1.840 0.498 0.459 0.857 0.571 CB 1.302 8 residues pruned to eliminate duplicates Z: 23 20.642 1.915 0.470 0.911 1.000 0.955 CB 1.107 23 residues pruned to eliminate duplicates Z: 11 8.829 1.545 0.080 0.910 1.000 1.000 CB 1.186 11 residues pruned to eliminate duplicates Z: 29 14.839 1.638 0.545 0.642 0.929 0.714 CB 1.045 24 residues pruned to eliminate duplicates Z: 13 21.695 1.909 0.992 0.852 0.917 0.583 CB 1.330 13 residues pruned to eliminate duplicates Z: 94 83.371 2.494 0.743 0.640 0.925 0.667 CB 1.887 94 residues pruned to eliminate duplicates Z: 38 35.256 2.298 0.438 0.619 0.946 0.514 CB 1.658 52 residues pruned to eliminate duplicates Z: 22 21.791 1.989 0.448 0.920 1.000 1.000 CB 1.163 22 residues pruned to eliminate duplicates Z: 7 13.331 1.724 0.719 0.893 1.000 0.833 CB 1.319 7 residues pruned to eliminate duplicates Z: 14 24.180 1.855 0.964 0.868 1.000 0.923 CB 1.346 14 residues pruned to eliminate duplicates Z: 92 71.580 2.381 0.824 0.629 0.901 0.593 CB 1.698 92 residues pruned to eliminate duplicates Z: 18 16.499 2.063 0.248 0.781 0.882 0.647 CB 1.375 18 residues pruned to eliminate duplicates Z: 10 6.256 1.386 0.482 0.897 1.000 0.889 CB 0.727 10 residues pruned to eliminate duplicates Z: 17 22.676 2.185 0.853 0.517 0.875 0.562 CB 1.573 17 residues pruned to eliminate duplicates Z: 11 8.098 1.517 0.382 0.903 1.000 0.800 CB 0.870 10 residues pruned to eliminate duplicates Z: 10 11.133 1.547 0.476 0.853 1.000 1.000 O 1.202 10 residues pruned to eliminate duplicates Z: 14 12.209 1.751 0.330 0.904 1.000 0.846 CB 1.036 14 residues pruned to eliminate duplicates Z: 11 10.664 1.547 0.538 0.900 1.000 0.600 CB 1.012 12 residues pruned to eliminate duplicates Z: 7 10.512 1.561 0.646 0.903 1.000 0.833 CB 1.190 7 residues pruned to eliminate duplicates Z: 7 3.141 1.223 0.661 0.286 0.833 0.333 O 0.963 Z: 9 7.294 1.393 0.442 0.912 1.000 0.875 CB 0.909 9 residues pruned to eliminate duplicates Z: 76 93.633 2.565 0.909 0.665 0.960 0.627 CB 1.975 76 residues pruned to eliminate duplicates Z: 10 10.215 1.616 0.532 0.876 1.000 0.889 CB 0.999 10 residues pruned to eliminate duplicates Z: 7 6.718 1.543 0.383 0.870 0.833 0.500 CB 1.126 7 residues pruned to eliminate duplicates Z: 49 62.613 2.544 0.859 0.630 0.854 0.625 CB 1.981 49 residues pruned to eliminate duplicates Z: 11 13.726 1.535 0.664 0.922 1.000 0.700 CB 1.195 11 residues pruned to eliminate duplicates Z: 20 13.917 1.659 0.774 0.930 0.895 0.526 CB 0.848 20 residues pruned to eliminate duplicates Z: 89 87.181 2.512 0.759 0.658 0.955 0.614 CB 1.903 89 residues pruned to eliminate duplicates Z: 6 7.552 1.620 0.237 0.857 1.000 0.800 CA 1.242 6 residues pruned to eliminate duplicates Z: 14 17.035 1.719 0.944 0.928 1.000 0.692 CB 0.990 14 residues pruned to eliminate duplicates Z: 10 15.396 1.641 0.821 0.931 1.000 0.667 CA 1.200 10 residues pruned to eliminate duplicates Z: 7 13.755 2.305 0.139 0.790 1.000 0.833 CB 1.657 7 residues pruned to eliminate duplicates Z: 12 16.400 2.205 0.142 0.786 0.909 0.636 CB 1.680 12 residues pruned to eliminate duplicates Z: 10 8.602 1.540 0.597 0.851 0.889 0.444 CB 0.971 9 residues pruned to eliminate duplicates Z: 13 11.031 1.832 0.400 0.690 1.000 0.750 CB 1.043 13 residues pruned to eliminate duplicates Z: 10 9.504 1.511 0.573 0.884 0.889 0.667 CB 1.084 10 residues pruned to eliminate duplicates Z: 11 15.172 1.541 0.761 0.922 1.000 0.700 CA 1.243 11 residues pruned to eliminate duplicates Z: 7 9.034 1.548 0.464 0.891 1.000 1.000 CB 1.170 7 residues pruned to eliminate duplicates Z: 10 9.555 1.558 0.180 0.921 1.000 0.889 CB 1.220 10 residues pruned to eliminate duplicates Z: 17 27.780 2.309 0.482 0.848 0.875 0.750 CA 1.721 17 residues pruned to eliminate duplicates Z: 8 11.667 1.753 0.609 0.805 1.000 0.571 CA 1.198 8 residues pruned to eliminate duplicates Z: 6 4.523 1.549 0.424 0.822 0.800 0.800 CB 0.867 Z: 51 35.908 1.910 0.830 0.667 0.980 0.480 CB 1.270 50 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 6.370 1.936 0.195 0.461 0.800 0.400 CA 1.602 6 residues pruned to eliminate duplicates Z: 6 7.672 1.989 0.371 0.446 0.800 0.400 CB 1.663 8 residues pruned to eliminate duplicates Z: 8 5.172 1.651 0.364 0.423 0.857 0.286 CB 1.097 8 residues pruned to eliminate duplicates Z: 110 95.656 2.509 0.750 0.662 0.954 0.642 CB 1.882 121 residues pruned to eliminate duplicates Z: 18 27.006 2.259 0.389 0.847 1.000 0.588 CB 1.550 18 residues pruned to eliminate duplicates Z: 36 28.759 2.200 0.403 0.645 0.943 0.486 CB 1.459 36 residues pruned to eliminate duplicates Z: 74 77.310 2.479 0.923 0.641 0.904 0.548 CB 1.841 74 residues pruned to eliminate duplicates Z: 111 86.678 2.467 0.659 0.666 0.955 0.709 CB 1.814 111 residues pruned to eliminate duplicates Z: 10 22.207 2.363 0.541 0.692 1.000 0.667 CB 1.706 10 residues pruned to eliminate duplicates Z: 98 87.482 2.510 0.758 0.646 0.938 0.639 CB 1.872 98 residues pruned to eliminate duplicates Z: 18 26.946 2.271 0.425 0.801 1.000 0.588 CB 1.552 18 residues pruned to eliminate duplicates Z: 37 29.323 2.233 0.399 0.636 0.917 0.667 CB 1.503 37 residues pruned to eliminate duplicates Z: 69 56.940 2.359 0.699 0.641 0.912 0.471 CB 1.657 69 residues pruned to eliminate duplicates Z: 19 24.309 2.250 0.292 0.780 0.944 0.611 CB 1.630 19 residues pruned to eliminate duplicates Z: 21 21.027 2.212 0.437 0.690 0.900 0.600 CB 1.381 21 residues pruned to eliminate duplicates Z: 110 89.880 2.502 0.724 0.666 0.917 0.606 CB 1.865 110 residues pruned to eliminate duplicates Z: 95 83.345 2.467 0.776 0.664 0.947 0.574 CB 1.780 95 residues pruned to eliminate duplicates Z: 107 85.879 2.496 0.667 0.632 0.962 0.604 CB 1.841 107 residues pruned to eliminate duplicates Z: 97 82.076 2.496 0.702 0.648 0.906 0.688 CB 1.896 97 residues pruned to eliminate duplicates Z: 33 34.779 2.254 0.489 0.710 0.969 0.750 CB 1.564 33 residues pruned to eliminate duplicates Z: 20 26.236 2.254 0.555 0.729 0.947 0.632 CB 1.475 20 residues pruned to eliminate duplicates Z: 93 66.629 2.386 0.724 0.648 0.859 0.511 CB 1.713 93 residues pruned to eliminate duplicates Z: 109 93.347 2.488 0.778 0.656 0.935 0.519 CB 1.878 109 residues pruned to eliminate duplicates Z: 110 90.798 2.516 0.713 0.667 0.927 0.670 CB 1.865 110 residues pruned to eliminate duplicates Z: 38 31.972 2.219 0.434 0.626 0.946 0.486 CB 1.552 38 residues pruned to eliminate duplicates Z: 110 93.467 2.512 0.723 0.664 0.936 0.642 CB 1.898 110 residues pruned to eliminate duplicates Z: 14 21.568 2.194 0.219 0.774 1.000 0.769 CB 1.755 14 residues pruned to eliminate duplicates Z: 39 28.522 2.177 0.459 0.621 0.895 0.579 CB 1.452 39 residues pruned to eliminate duplicates Z: 109 89.497 2.519 0.646 0.669 0.944 0.611 CB 1.882 109 residues pruned to eliminate duplicates Z: 72 56.870 2.415 0.548 0.608 0.915 0.662 CB 1.780 72 residues pruned to eliminate duplicates Z: 111 87.280 2.495 0.646 0.655 0.945 0.655 CB 1.855 111 residues pruned to eliminate duplicates Z: 73 63.418 2.369 0.735 0.643 0.931 0.556 CB 1.710 73 residues pruned to eliminate duplicates Z: 36 32.915 2.259 0.406 0.651 0.943 0.486 CB 1.614 36 residues pruned to eliminate duplicates Z: 39 29.180 2.147 0.405 0.611 0.947 0.500 CB 1.491 39 residues pruned to eliminate duplicates Z: 110 92.303 2.522 0.693 0.669 0.936 0.688 CB 1.892 110 residues pruned to eliminate duplicates Z: 15 24.251 2.151 0.379 0.815 1.000 0.786 CA 1.662 15 residues pruned to eliminate duplicates Z: 77 89.776 2.546 0.892 0.645 0.934 0.671 CB 1.999 77 residues pruned to eliminate duplicates Z: 108 89.605 2.496 0.689 0.641 0.963 0.636 CB 1.871 108 residues pruned to eliminate duplicates Z: 97 87.708 2.515 0.744 0.635 0.948 0.667 CB 1.897 97 residues pruned to eliminate duplicates Z: 112 90.820 2.474 0.713 0.652 0.964 0.649 CB 1.832 112 residues pruned to eliminate duplicates Z: 110 95.273 2.531 0.734 0.670 0.936 0.615 CB 1.898 110 residues pruned to eliminate duplicates Z: 14 46.085 2.538 1.328 0.772 1.000 0.615 CA 1.700 14 residues pruned to eliminate duplicates Z: 112 87.740 2.467 0.720 0.649 0.937 0.631 CB 1.822 112 residues pruned to eliminate duplicates Z: 108 88.584 2.480 0.755 0.642 0.944 0.589 CB 1.826 108 residues pruned to eliminate duplicates Z: 110 89.190 2.494 0.712 0.658 0.927 0.569 CB 1.864 110 residues pruned to eliminate duplicates Z: 79 86.862 2.563 0.815 0.666 0.923 0.628 CB 1.965 79 residues pruned to eliminate duplicates Z: 90 82.313 2.532 0.671 0.661 0.910 0.618 CA 1.952 90 residues pruned to eliminate duplicates Z: 110 96.281 2.522 0.795 0.667 0.927 0.560 CB 1.884 110 residues pruned to eliminate duplicates Z: 52 58.289 2.403 0.716 0.662 0.961 0.529 CB 1.773 52 residues pruned to eliminate duplicates Z: 12 53.880 2.674 1.377 0.880 1.000 0.727 CA 1.852 12 residues pruned to eliminate duplicates Z: 110 91.451 2.514 0.688 0.661 0.954 0.624 CB 1.864 110 residues pruned to eliminate duplicates Z: 67 48.397 2.325 0.613 0.534 0.909 0.455 CB 1.689 67 residues pruned to eliminate duplicates Z: 110 96.820 2.522 0.771 0.672 0.945 0.661 CB 1.874 110 residues pruned to eliminate duplicates Z: 111 91.712 2.502 0.740 0.659 0.918 0.591 CB 1.887 111 residues pruned to eliminate duplicates Z: 18 53.015 2.611 1.088 0.775 1.000 0.588 CA 1.850 18 residues pruned to eliminate duplicates Z: 77 92.312 2.580 0.835 0.680 0.947 0.618 CB 2.001 77 residues pruned to eliminate duplicates Z: 107 86.537 2.473 0.712 0.655 0.943 0.623 CB 1.823 107 residues pruned to eliminate duplicates Z: 62 85.241 2.598 0.939 0.648 0.934 0.607 CB 2.021 62 residues pruned to eliminate duplicates Z: 34 36.047 2.337 0.647 0.572 0.848 0.515 CB 1.793 34 residues pruned to eliminate duplicates Z: 110 94.021 2.508 0.833 0.652 0.908 0.578 CB 1.871 110 residues pruned to eliminate duplicates Z: 74 88.314 2.618 0.800 0.692 0.918 0.658 CB 2.005 74 residues pruned to eliminate duplicates Z: 109 87.054 2.510 0.691 0.660 0.917 0.602 CB 1.856 109 residues pruned to eliminate duplicates Z: 110 94.025 2.523 0.722 0.670 0.936 0.615 CB 1.893 110 residues pruned to eliminate duplicates Z: 110 89.971 2.513 0.710 0.669 0.908 0.670 CB 1.889 110 residues pruned to eliminate duplicates Z: 87 81.334 2.505 0.695 0.685 0.930 0.663 CB 1.874 87 residues pruned to eliminate duplicates Z: 74 59.947 2.414 0.596 0.599 0.918 0.548 CB 1.806 74 residues pruned to eliminate duplicates Z: 74 92.816 2.609 0.865 0.691 0.932 0.712 CB 2.013 74 residues pruned to eliminate duplicates Z: 58 70.438 2.594 0.710 0.697 0.895 0.579 CB 1.964 58 residues pruned to eliminate duplicates Z: 110 94.004 2.493 0.740 0.680 0.945 0.596 CB 1.862 110 residues pruned to eliminate duplicates Z: 110 88.517 2.508 0.615 0.673 0.954 0.633 CB 1.870 110 residues pruned to eliminate duplicates Z: 51 80.496 2.621 0.761 0.769 0.980 0.740 CB 1.983 51 residues pruned to eliminate duplicates Z: 110 89.508 2.513 0.666 0.668 0.936 0.596 CB 1.873 110 residues pruned to eliminate duplicates Z: 111 90.126 2.498 0.727 0.653 0.927 0.582 CB 1.864 111 residues pruned to eliminate duplicates Z: 51 80.689 2.580 0.847 0.748 0.960 0.640 CB 1.998 51 residues pruned to eliminate duplicates Z: 50 76.921 2.622 0.772 0.770 0.939 0.735 CB 1.985 50 residues pruned to eliminate duplicates Z: 109 81.725 2.498 0.662 0.664 0.889 0.657 CB 1.830 109 residues pruned to eliminate duplicates Z: 111 87.031 2.472 0.707 0.666 0.918 0.591 CB 1.837 111 residues pruned to eliminate duplicates Z: 37 54.080 2.492 0.771 0.708 0.944 0.694 CB 1.790 35 residues pruned to eliminate duplicates Z: 22 57.480 2.518 0.906 0.920 1.000 0.762 CA 1.841 22 residues pruned to eliminate duplicates Z: 38 52.797 2.447 0.763 0.669 0.946 0.622 CB 1.820 35 residues pruned to eliminate duplicates Z: 21 61.254 2.602 0.901 0.937 1.000 0.850 CA 1.927 21 residues pruned to eliminate duplicates Z: 38 59.303 2.502 0.788 0.716 0.946 0.676 CB 1.895 38 residues pruned to eliminate duplicates Z: 37 51.091 2.494 0.846 0.661 0.861 0.500 CB 1.849 35 residues pruned to eliminate duplicates Z: 20 69.543 2.681 1.031 0.940 1.000 0.842 CA 2.035 20 residues pruned to eliminate duplicates Z: 41 65.947 2.565 0.941 0.689 0.900 0.675 CB 1.958 41 residues pruned to eliminate duplicates Z: 38 50.385 2.519 0.709 0.689 0.919 0.595 CB 1.761 38 residues pruned to eliminate duplicates Z: 62 66.362 2.462 0.820 0.655 0.934 0.623 CB 1.757 73 residues pruned to eliminate duplicates Z: 20 69.736 2.644 1.101 0.912 1.000 0.421 CA 2.041 20 residues pruned to eliminate duplicates Z: 90 87.424 2.514 0.789 0.655 0.910 0.596 CB 1.960 90 residues pruned to eliminate duplicates Z: 110 77.910 2.399 0.762 0.608 0.890 0.587 CB 1.790 110 residues pruned to eliminate duplicates Z: 112 87.269 2.469 0.723 0.637 0.946 0.577 CB 1.810 112 residues pruned to eliminate duplicates Z: 31 24.133 2.194 0.486 0.532 0.867 0.533 CB 1.510 31 residues pruned to eliminate duplicates Z: 38 60.034 2.516 0.923 0.709 0.919 0.568 CB 1.837 38 residues pruned to eliminate duplicates Z: 37 62.148 2.489 0.970 0.730 0.917 0.556 CB 1.874 37 residues pruned to eliminate duplicates Z: 37 53.450 2.507 0.863 0.719 0.889 0.639 CB 1.760 37 residues pruned to eliminate duplicates Z: 39 57.800 2.441 0.882 0.720 0.921 0.632 CB 1.816 39 residues pruned to eliminate duplicates Z: 33 15.799 2.125 0.341 0.423 0.750 0.438 CB 1.416 33 residues pruned to eliminate duplicates Z: 111 92.499 2.478 0.787 0.659 0.936 0.573 CB 1.836 111 residues pruned to eliminate duplicates Z: 63 87.614 2.571 0.984 0.633 0.952 0.565 CB 2.023 63 residues pruned to eliminate duplicates Z: 112 89.841 2.488 0.726 0.657 0.928 0.649 CB 1.849 112 residues pruned to eliminate duplicates Z: 38 52.052 2.468 0.882 0.654 0.892 0.541 CB 1.790 38 residues pruned to eliminate duplicates Z: 38 53.750 2.502 0.867 0.664 0.892 0.514 CB 1.821 38 residues pruned to eliminate duplicates Z: 35 45.882 2.428 0.629 0.664 0.912 0.647 CB 1.874 35 residues pruned to eliminate duplicates Z: 73 84.648 2.502 0.991 0.645 0.958 0.542 CB 1.825 41 residues pruned to eliminate duplicates Z: 16 30.397 2.353 0.476 0.847 1.000 0.600 CB 1.677 16 residues pruned to eliminate duplicates Z: 72 98.183 2.630 0.925 0.709 0.958 0.549 CB 1.987 72 residues pruned to eliminate duplicates Z: 38 58.381 2.496 0.962 0.644 0.919 0.432 CB 1.864 38 residues pruned to eliminate duplicates Z: 39 51.108 2.416 0.756 0.682 0.921 0.684 CB 1.796 39 residues pruned to eliminate duplicates Z: 72 89.077 2.557 0.936 0.661 0.972 0.746 CB 1.892 72 residues pruned to eliminate duplicates Z: 42 51.006 2.279 0.814 0.771 0.902 0.537 CB 1.680 Z: 21 41.641 2.200 1.038 0.845 1.000 0.550 CA 1.544 24 residues pruned to eliminate duplicates Z: 23 39.528 2.204 1.040 0.801 0.955 0.500 CA 1.510 23 residues pruned to eliminate duplicates Z: 49 55.250 2.215 0.833 0.786 0.938 0.667 CB 1.629 48 residues pruned to eliminate duplicates Z: 18 35.531 2.369 0.638 0.795 1.000 0.765 CB 1.714 19 residues pruned to eliminate duplicates Z: 16 33.787 2.525 0.540 0.841 0.933 0.867 CB 1.793 16 residues pruned to eliminate duplicates Z: 50 50.795 2.178 0.704 0.796 0.959 0.714 CB 1.572 50 residues pruned to eliminate duplicates Z: 73 50.257 2.073 0.750 0.716 0.931 0.583 CB 1.443 67 residues pruned to eliminate duplicates Z: 17 35.331 2.344 0.533 0.922 1.000 0.812 CB 1.728 17 residues pruned to eliminate duplicates Z: 46 57.161 2.243 0.827 0.824 0.956 0.711 CB 1.643 46 residues pruned to eliminate duplicates Z: 74 51.126 2.052 0.820 0.722 0.945 0.534 CB 1.388 74 residues pruned to eliminate duplicates Z: 42 54.285 2.278 0.947 0.778 0.902 0.707 CB 1.657 42 residues pruned to eliminate duplicates Z: 51 55.417 2.150 0.920 0.807 0.960 0.560 CB 1.514 51 residues pruned to eliminate duplicates Z: 17 32.587 2.323 0.690 0.891 0.875 0.562 CB 1.705 17 residues pruned to eliminate duplicates Z: 36 53.134 2.311 0.900 0.788 0.943 0.629 CB 1.684 36 residues pruned to eliminate duplicates Z: 52 56.364 2.152 0.817 0.793 0.961 0.588 CB 1.625 52 residues pruned to eliminate duplicates Z: 43 49.845 2.217 0.835 0.756 0.905 0.595 CB 1.664 43 residues pruned to eliminate duplicates Z: 45 54.168 2.213 0.781 0.786 0.955 0.727 CB 1.688 45 residues pruned to eliminate duplicates Z: 52 53.266 2.143 0.739 0.786 0.980 0.569 CB 1.588 52 residues pruned to eliminate duplicates Z: 45 51.066 2.211 0.806 0.742 0.932 0.500 CB 1.667 45 residues pruned to eliminate duplicates 344 residues left after pruning, divided into chains as follows: A: 9 B: 14 C: 6 D: 28 E: 6 F: 65 G: 94 H: 16 I: 73 J: 33 CC for partial structure against native data = 38.50 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.530, Connect. = 0.756 for dens.mod. cycle 1 = 0.300, Contrast = 0.599, Connect. = 0.778 for dens.mod. cycle 2 = 0.300, Contrast = 0.715, Connect. = 0.805 for dens.mod. cycle 3 = 0.300, Contrast = 0.721, Connect. = 0.807 for dens.mod. cycle 4 = 0.300, Contrast = 0.731, Connect. = 0.808 for dens.mod. cycle 5 = 0.300, Contrast = 0.735, Connect. = 0.810 for dens.mod. cycle 6 = 0.300, Contrast = 0.739, Connect. = 0.811 for dens.mod. cycle 7 = 0.300, Contrast = 0.741, Connect. = 0.812 for dens.mod. cycle 8 = 0.300, Contrast = 0.743, Connect. = 0.812 for dens.mod. cycle 9 = 0.300, Contrast = 0.744, Connect. = 0.812 for dens.mod. cycle 10 TimeTaking 133.1