++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:09:23 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2fea-2.0-parrot-mrncs/2fea-2.0-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2fea-2.0-parrot-mrncs/2fea-2.0-parrot-mrncs.ins Phases from ./2fea-2.0-parrot-mrncs/2fea-2.0-parrot-mrncs.phi Native data from ./2fea-2.0-parrot-mrncs/2fea-2.0-parrot-mrncs.hkl Listing output to ./2fea-2.0-parrot-mrncs/2fea-2.0-parrot-mrncs.lst Phases output to ./2fea-2.0-parrot-mrncs/2fea-2.0-parrot-mrncs.phs Poly-Ala trace output to ./2fea-2.0-parrot-mrncs/2fea-2.0-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 21 1 Allowed origin shift code: 2 36467 Reflections read from file ./2fea-2.0-parrot-mrncs/2fea-2.0-parrot-mrncs.phi 36467 Reflections read from file ./2fea-2.0-parrot-mrncs/2fea-2.0-parrot-mrncs.hkl 36467 Unique data, highest resolution = 2.000 Angstroms Anisotropic scaling: intensities multiplied by 0.000036h^2 +0.002653k^2 -0.000269l^2 +0.000000kl +0.000164hl +0.000000hk 564 Reflections with d > 2.200 and 0 in range 2.200 > d > 2.000 added Density sharpening factor set to 0.75 Fourier grid = 128 x 64 x 82 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|> = 0.728 = 0.300, Contrast = 0.407, Connect. = 0.711 for dens.mod. cycle 1 = 0.300, Contrast = 0.432, Connect. = 0.682 for dens.mod. cycle 2 = 0.300, Contrast = 0.514, Connect. = 0.719 for dens.mod. cycle 3 = 0.300, Contrast = 0.544, Connect. = 0.732 for dens.mod. cycle 4 = 0.300, Contrast = 0.565, Connect. = 0.740 for dens.mod. cycle 5 = 0.300, Contrast = 0.579, Connect. = 0.745 for dens.mod. cycle 6 = 0.300, Contrast = 0.589, Connect. = 0.749 for dens.mod. cycle 7 = 0.300, Contrast = 0.597, Connect. = 0.752 for dens.mod. cycle 8 = 0.300, Contrast = 0.603, Connect. = 0.755 for dens.mod. cycle 9 = 0.300, Contrast = 0.608, Connect. = 0.757 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2552 peaks > 0.5 sigma used to seed fragment search Space for about 606 unique residues taking solvent into account 559 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 28.268 2.011 0.755 0.903 1.000 0.846 CA 1.584 B: 26 18.624 1.969 0.840 0.465 0.880 0.360 CB 1.210 C: 13 26.466 2.101 1.295 0.914 1.000 0.917 CB 1.121 D: 11 21.534 2.101 0.847 0.736 1.000 0.600 CB 1.420 E: 18 23.171 2.035 0.974 0.628 0.941 0.647 CB 1.318 26 residues pruned to eliminate duplicates F: 12 18.416 2.169 0.705 0.890 0.909 0.909 CB 1.189 12 residues pruned to eliminate duplicates G: 15 25.599 1.951 0.969 0.835 0.929 0.500 CA 1.437 H: 12 15.104 1.968 1.104 0.867 0.909 0.727 CB 0.885 I: 55 37.887 1.916 0.938 0.660 0.926 0.537 CB 1.293 20 residues pruned to eliminate duplicates J: 9 19.653 2.165 0.852 0.863 1.000 0.875 CA 1.271 9 residues pruned to eliminate duplicates K: 13 24.030 2.028 0.719 0.884 1.000 0.750 CB 1.438 13 residues pruned to eliminate duplicates L: 12 21.087 2.027 0.560 0.926 1.000 0.818 CB 1.410 12 residues pruned to eliminate duplicates M: 13 19.545 1.980 0.613 0.771 0.917 0.583 CA 1.516 N: 11 18.981 2.081 0.429 0.816 1.000 0.400 CA 1.534 11 residues pruned to eliminate duplicates O: 13 16.502 1.926 0.551 0.798 1.000 0.583 CA 1.229 13 residues pruned to eliminate duplicates P: 14 17.047 1.899 0.526 0.900 1.000 0.846 CB 1.165 14 residues pruned to eliminate duplicates Q: 13 17.525 1.912 0.699 0.778 1.000 0.833 CA 1.218 13 residues pruned to eliminate duplicates R: 12 15.347 1.815 0.766 0.735 0.818 0.818 CB 1.429 S: 8 18.702 2.109 0.736 0.903 1.000 0.857 CA 1.376 8 residues pruned to eliminate duplicates T: 11 14.461 1.993 0.738 0.515 1.000 0.900 CB 1.301 U: 17 26.311 1.893 0.836 0.867 1.000 0.688 CB 1.384 V: 23 21.155 1.879 0.985 0.655 0.909 0.636 CB 1.152 11 residues pruned to eliminate duplicates W: 27 15.111 1.902 0.516 0.515 0.846 0.615 CB 1.197 26 residues pruned to eliminate duplicates X: 9 14.235 2.159 0.159 0.800 1.000 0.625 CB 1.546 9 residues pruned to eliminate duplicates Y: 8 13.542 1.855 1.113 0.818 0.857 0.714 CA 1.156 8 residues pruned to eliminate duplicates Z: 17 20.901 1.831 1.177 0.837 0.875 0.625 CA 1.120 17 residues pruned to eliminate duplicates Z: 15 26.104 2.023 0.802 0.862 0.929 0.786 CB 1.514 14 residues pruned to eliminate duplicates Z: 6 6.358 2.036 0.123 0.818 1.000 0.800 CB 0.944 Z: 13 27.972 2.032 0.962 0.926 1.000 0.750 CB 1.420 13 residues pruned to eliminate duplicates Z: 16 24.132 1.929 0.987 0.787 0.933 0.533 CA 1.354 16 residues pruned to eliminate duplicates Z: 7 14.511 1.803 0.988 0.747 1.000 0.667 CA 1.325 Z: 14 14.583 1.886 0.820 0.670 0.846 0.308 CB 1.190 10 residues pruned to eliminate duplicates Z: 8 8.445 1.765 0.731 0.569 0.857 0.571 CA 1.141 8 residues pruned to eliminate duplicates Z: 18 22.426 1.814 0.707 0.851 1.000 0.706 CB 1.300 18 residues pruned to eliminate duplicates Z: 30 27.999 1.890 0.928 0.633 0.931 0.552 CB 1.353 18 residues pruned to eliminate duplicates Z: 16 25.355 1.917 0.943 0.848 0.933 0.600 CA 1.397 16 residues pruned to eliminate duplicates Z: 12 16.282 1.928 0.494 0.826 1.000 0.818 CA 1.285 12 residues pruned to eliminate duplicates Z: 12 17.031 2.048 0.581 0.918 0.909 0.818 CB 1.230 12 residues pruned to eliminate duplicates Z: 15 26.469 1.982 1.140 0.829 0.929 0.643 CA 1.351 15 residues pruned to eliminate duplicates Z: 14 18.713 1.956 1.118 0.930 1.000 0.538 CB 0.876 12 residues pruned to eliminate duplicates Z: 15 25.309 1.975 1.180 0.825 0.857 0.500 CB 1.383 15 residues pruned to eliminate duplicates Z: 14 22.356 2.001 0.572 0.877 1.000 0.769 CB 1.431 14 residues pruned to eliminate duplicates Z: 75 46.391 2.012 0.933 0.606 0.932 0.595 CB 1.346 62 residues pruned to eliminate duplicates Z: 17 25.183 1.878 0.906 0.851 0.938 0.562 CA 1.389 17 residues pruned to eliminate duplicates Z: 14 18.551 1.954 0.574 0.870 0.846 0.846 CB 1.443 14 residues pruned to eliminate duplicates Z: 11 17.834 2.023 0.875 0.865 0.800 0.600 CA 1.361 11 residues pruned to eliminate duplicates Z: 18 19.599 1.839 0.687 0.801 0.882 0.824 CB 1.335 18 residues pruned to eliminate duplicates Z: 11 20.833 1.925 1.071 0.849 1.000 0.500 CA 1.225 11 residues pruned to eliminate duplicates Z: 14 21.558 1.982 0.935 0.856 1.000 0.538 CB 1.150 14 residues pruned to eliminate duplicates Z: 12 18.928 1.971 0.731 0.870 0.909 0.727 CB 1.343 Z: 14 20.068 1.954 0.425 0.900 1.000 0.769 CB 1.427 14 residues pruned to eliminate duplicates Z: 11 18.853 1.977 0.938 0.857 1.000 0.700 CA 1.147 11 residues pruned to eliminate duplicates Z: 12 16.512 1.994 0.560 0.787 0.909 0.636 CA 1.368 13 residues pruned to eliminate duplicates Z: 11 11.423 1.689 0.400 0.870 1.000 0.800 CB 1.114 11 residues pruned to eliminate duplicates Z: 11 28.538 2.053 1.487 0.791 1.000 0.300 CB 1.368 11 residues pruned to eliminate duplicates Z: 15 28.395 1.896 1.109 0.866 0.929 0.571 CB 1.495 15 residues pruned to eliminate duplicates Z: 9 13.341 1.821 0.594 0.870 0.875 0.875 CA 1.355 Z: 8 12.259 2.127 0.485 0.784 0.857 0.571 CA 1.332 8 residues pruned to eliminate duplicates Z: 16 24.608 1.908 1.119 0.820 0.933 0.467 CA 1.276 16 residues pruned to eliminate duplicates Z: 10 9.736 1.805 0.168 0.884 0.889 0.778 CB 1.251 10 residues pruned to eliminate duplicates Z: 11 21.943 1.954 1.117 0.842 1.000 0.500 CA 1.250 11 residues pruned to eliminate duplicates Z: 14 13.934 1.790 0.584 0.841 0.923 0.538 CB 1.101 Z: 10 17.672 1.952 1.003 0.922 1.000 0.889 CA 1.059 10 residues pruned to eliminate duplicates Z: 12 17.210 1.785 0.848 0.831 0.909 0.727 CA 1.299 9 residues pruned to eliminate duplicates Z: 10 11.446 1.865 0.732 0.866 0.889 0.444 CB 0.973 7 residues pruned to eliminate duplicates Z: 9 12.977 1.742 0.531 0.887 1.000 1.000 CA 1.240 9 residues pruned to eliminate duplicates Z: 12 17.833 2.005 0.908 0.838 0.909 0.636 CB 1.156 12 residues pruned to eliminate duplicates Z: 25 18.149 1.966 0.845 0.516 0.792 0.417 CB 1.270 25 residues pruned to eliminate duplicates Z: 13 16.115 1.968 0.488 0.703 0.917 0.667 CA 1.440 13 residues pruned to eliminate duplicates Z: 8 5.194 1.808 0.721 0.404 0.714 0.286 CA 0.977 Z: 13 20.191 2.001 0.953 0.857 0.917 0.583 CA 1.199 13 residues pruned to eliminate duplicates Z: 10 4.720 1.528 0.350 0.482 1.000 0.889 N 0.777 8 residues pruned to eliminate duplicates Z: 9 11.868 1.853 0.472 0.827 1.000 0.500 CA 1.160 Z: 10 17.584 1.964 0.915 0.885 1.000 0.778 CA 1.125 14 residues pruned to eliminate duplicates Z: 13 13.806 1.708 0.689 0.793 0.833 0.333 CA 1.282 12 residues pruned to eliminate duplicates Z: 53 38.956 1.986 0.934 0.678 0.942 0.558 CB 1.268 26 residues pruned to eliminate duplicates Z: 13 16.469 1.960 0.620 0.900 0.917 0.750 CB 1.166 13 residues pruned to eliminate duplicates Z: 15 16.603 1.901 0.827 0.860 1.000 0.714 CB 0.939 15 residues pruned to eliminate duplicates Z: 15 18.060 1.843 0.582 0.883 1.000 0.643 CB 1.197 15 residues pruned to eliminate duplicates Z: 10 22.674 1.882 1.081 0.896 1.000 0.889 CA 1.382 10 residues pruned to eliminate duplicates Z: 31 26.635 1.981 0.735 0.521 0.967 0.633 CB 1.433 23 residues pruned to eliminate duplicates Z: 12 18.997 1.851 0.688 0.883 1.000 0.909 CA 1.325 11 residues pruned to eliminate duplicates Z: 14 13.649 1.828 0.708 0.522 0.923 0.538 CB 1.285 14 residues pruned to eliminate duplicates Z: 6 4.226 1.655 0.919 0.370 0.800 0.600 CA 0.855 Z: 9 18.658 1.974 1.155 0.848 1.000 0.875 CA 1.150 9 residues pruned to eliminate duplicates Z: 12 18.864 1.930 0.906 0.885 1.000 0.727 CA 1.116 12 residues pruned to eliminate duplicates Z: 68 46.228 2.030 0.922 0.654 0.955 0.657 CB 1.313 68 residues pruned to eliminate duplicates Z: 9 8.944 1.848 0.670 0.552 0.875 0.500 CB 1.113 Z: 18 21.899 2.071 0.932 0.503 0.941 0.647 CA 1.406 18 residues pruned to eliminate duplicates Z: 18 21.280 1.819 0.730 0.837 0.941 0.706 CB 1.303 18 residues pruned to eliminate duplicates Z: 13 15.664 1.872 0.499 0.828 1.000 0.833 CA 1.213 13 residues pruned to eliminate duplicates Z: 14 20.210 1.775 0.683 0.889 1.000 0.923 CA 1.352 14 residues pruned to eliminate duplicates Z: 13 19.971 2.007 1.192 0.859 1.000 0.667 CB 0.964 13 residues pruned to eliminate duplicates Z: 8 6.779 1.726 0.156 0.727 0.857 0.571 CB 1.221 8 residues pruned to eliminate duplicates Z: 13 10.381 1.516 0.347 0.866 0.917 0.750 CA 1.172 Z: 18 20.786 2.110 0.684 0.575 0.941 0.412 CA 1.402 18 residues pruned to eliminate duplicates Z: 19 26.183 1.773 1.033 0.863 1.000 0.778 CB 1.256 19 residues pruned to eliminate duplicates Z: 14 18.882 1.766 0.828 0.868 1.000 0.769 CA 1.186 19 residues pruned to eliminate duplicates Z: 34 20.948 1.835 0.780 0.537 0.848 0.576 CB 1.269 35 residues pruned to eliminate duplicates Z: 11 11.822 1.760 0.259 0.838 0.900 0.800 CB 1.401 11 residues pruned to eliminate duplicates Z: 11 13.428 1.943 0.559 0.710 0.900 0.400 CA 1.287 Z: 11 6.783 1.634 -0.001 0.765 0.900 0.800 CB 1.153 11 residues pruned to eliminate duplicates Z: 42 25.736 2.018 0.867 0.372 0.902 0.610 CB 1.355 12 residues pruned to eliminate duplicates Z: 12 9.449 1.956 0.514 0.317 0.818 0.455 CB 1.438 12 residues pruned to eliminate duplicates Z: 46 26.850 2.000 0.878 0.413 0.911 0.556 CB 1.281 44 residues pruned to eliminate duplicates Z: 7 4.699 1.803 0.716 0.522 0.833 0.833 CB 0.728 7 residues pruned to eliminate duplicates Z: 10 18.749 1.920 1.083 0.851 1.000 0.444 CB 1.157 10 residues pruned to eliminate duplicates 6 1.543 1.516 0.227 0.290 0.600 0.400 CB 0.782 ? Z: 12 15.083 1.720 0.844 0.834 1.000 0.818 CB 1.075 12 residues pruned to eliminate duplicates Z: 15 19.329 1.853 0.663 0.898 0.929 0.786 CB 1.292 15 residues pruned to eliminate duplicates Z: 8 4.269 1.702 0.382 0.384 0.571 0.429 CB 1.358 Z: 11 23.555 1.992 0.925 0.817 1.000 0.500 CA 1.475 11 residues pruned to eliminate duplicates Z: 12 8.649 1.608 1.286 0.439 0.727 0.455 CA 1.039 18 residues pruned to eliminate duplicates Z: 10 13.534 1.826 0.712 0.721 0.889 0.444 CB 1.329 10 residues pruned to eliminate duplicates Z: 14 18.561 2.016 0.966 0.847 0.923 0.923 CB 1.044 14 residues pruned to eliminate duplicates Z: 10 10.562 1.854 0.539 0.772 0.889 0.556 CA 1.091 8 residues pruned to eliminate duplicates Z: 24 18.866 1.971 0.951 0.407 0.826 0.696 CA 1.364 24 residues pruned to eliminate duplicates Z: 25 20.595 2.003 0.934 0.413 0.833 0.500 CB 1.426 33 residues pruned to eliminate duplicates Z: 12 11.370 1.664 0.758 0.879 0.727 0.636 CB 1.168 12 residues pruned to eliminate duplicates Z: 13 20.159 1.933 0.801 0.853 1.000 0.667 CB 1.236 13 residues pruned to eliminate duplicates Z: 9 16.038 1.952 0.613 0.840 1.000 0.875 CA 1.344 9 residues pruned to eliminate duplicates Z: 12 17.443 1.856 0.771 0.838 0.909 0.636 CA 1.315 13 residues pruned to eliminate duplicates Z: 12 20.456 2.025 0.533 0.863 1.000 0.727 CA 1.458 13 residues pruned to eliminate duplicates Z: 11 9.381 1.667 0.102 0.875 1.000 0.800 CA 1.175 11 residues pruned to eliminate duplicates Z: 8 7.154 1.754 0.992 0.469 0.714 0.714 CB 1.118 8 residues pruned to eliminate duplicates Z: 22 14.216 1.737 0.287 0.526 0.952 0.571 CB 1.421 13 residues pruned to eliminate duplicates Z: 9 5.091 1.476 0.521 0.466 0.875 0.500 CB 0.948 Z: 11 17.187 1.923 0.828 0.700 0.900 0.400 CB 1.432 11 residues pruned to eliminate duplicates Z: 14 25.264 1.993 0.718 0.911 0.923 0.615 CB 1.571 14 residues pruned to eliminate duplicates Z: 15 13.232 1.758 1.212 0.537 0.857 0.643 CB 1.023 16 residues pruned to eliminate duplicates Z: 38 22.855 1.887 0.783 0.424 0.919 0.541 CB 1.314 17 residues pruned to eliminate duplicates Z: 15 9.420 1.825 0.932 0.332 0.643 0.500 CB 1.335 10 residues pruned to eliminate duplicates Z: 12 27.330 1.980 1.173 0.916 1.000 0.909 CA 1.352 12 residues pruned to eliminate duplicates Z: 8 5.216 1.589 0.228 0.469 1.000 0.714 N 1.043 Z: 13 15.611 1.857 0.603 0.706 1.000 0.583 CB 1.255 13 residues pruned to eliminate duplicates Z: 14 10.973 2.026 0.793 0.358 0.769 0.385 CB 1.270 14 residues pruned to eliminate duplicates Z: 11 16.533 1.970 0.738 0.866 0.900 0.700 CA 1.241 11 residues pruned to eliminate duplicates Z: 9 3.885 1.374 0.832 0.226 0.875 0.500 CB 0.859 3 residues pruned to eliminate duplicates Z: 11 11.903 1.555 0.413 0.919 1.000 0.800 CB 1.207 10 residues pruned to eliminate duplicates Z: 25 20.996 1.866 0.789 0.663 0.917 0.792 CB 1.205 25 residues pruned to eliminate duplicates Z: 13 16.122 1.996 0.885 0.595 0.917 0.417 CB 1.232 13 residues pruned to eliminate duplicates Z: 11 8.420 1.355 0.985 0.606 0.900 0.400 CA 0.995 11 residues pruned to eliminate duplicates Z: 13 31.986 2.062 1.072 0.919 1.000 0.750 CB 1.524 13 residues pruned to eliminate duplicates Z: 30 23.810 1.920 0.802 0.445 0.931 0.552 CA 1.452 31 residues pruned to eliminate duplicates Z: 9 12.830 1.857 0.802 0.906 0.875 0.875 CA 1.102 9 residues pruned to eliminate duplicates Z: 11 11.817 1.900 0.603 0.751 0.900 0.700 CB 1.090 11 residues pruned to eliminate duplicates Z: 12 16.702 2.089 0.783 0.908 1.000 0.909 CB 0.960 12 residues pruned to eliminate duplicates Z: 48 23.812 1.974 0.817 0.343 0.872 0.426 CB 1.316 48 residues pruned to eliminate duplicates Z: 10 11.908 1.699 0.302 0.898 1.000 0.889 CA 1.284 11 residues pruned to eliminate duplicates Z: 9 8.718 1.573 0.582 0.831 1.000 0.750 CB 0.930 9 residues pruned to eliminate duplicates Z: 19 18.393 1.896 1.004 0.455 0.944 0.667 CB 1.265 19 residues pruned to eliminate duplicates Z: 11 19.157 1.882 0.940 0.807 0.900 0.800 CB 1.411 9 residues pruned to eliminate duplicates Z: 12 21.618 2.099 0.995 0.903 0.818 0.545 CB 1.357 12 residues pruned to eliminate duplicates Z: 10 26.447 2.133 1.129 0.891 1.000 0.444 CA 1.395 10 residues pruned to eliminate duplicates Z: 11 16.161 1.926 0.791 0.723 0.900 0.800 CB 1.346 11 residues pruned to eliminate duplicates Z: 17 25.726 1.818 1.105 0.850 0.938 0.875 CB 1.328 17 residues pruned to eliminate duplicates Z: 27 22.405 1.847 0.865 0.601 0.962 0.692 CB 1.204 27 residues pruned to eliminate duplicates Z: 7 10.539 1.823 0.977 0.472 1.000 0.667 CA 1.228 14 residues pruned to eliminate duplicates Z: 33 24.518 1.913 0.885 0.592 0.844 0.531 CB 1.304 33 residues pruned to eliminate duplicates Z: 13 15.219 2.032 0.746 0.891 0.833 0.750 CB 1.068 13 residues pruned to eliminate duplicates Z: 21 16.401 1.809 0.877 0.539 0.800 0.550 CA 1.300 23 residues pruned to eliminate duplicates Z: 12 10.760 1.718 0.519 0.699 0.818 0.727 CB 1.267 12 residues pruned to eliminate duplicates Z: 48 33.583 2.023 0.804 0.601 0.936 0.553 CB 1.302 48 residues pruned to eliminate duplicates Z: 6 3.147 1.681 0.438 0.292 1.000 0.600 CB 0.735 6 residues pruned to eliminate duplicates Z: 14 24.530 2.022 0.784 0.876 0.923 0.385 CB 1.485 14 residues pruned to eliminate duplicates Z: 10 13.426 2.063 0.508 0.797 1.000 0.556 CB 1.109 10 residues pruned to eliminate duplicates Z: 10 11.142 1.660 0.258 0.882 1.000 0.667 CB 1.288 10 residues pruned to eliminate duplicates Z: 12 17.541 1.903 0.858 0.879 0.818 0.455 CA 1.325 12 residues pruned to eliminate duplicates Z: 11 19.946 1.789 0.847 0.875 1.000 0.800 CB 1.389 12 residues pruned to eliminate duplicates Z: 12 12.837 1.620 0.380 0.879 1.000 0.818 CA 1.255 12 residues pruned to eliminate duplicates Z: 11 12.350 1.871 0.766 0.604 1.000 0.700 CB 1.070 11 residues pruned to eliminate duplicates Z: 11 17.834 1.745 0.580 0.924 1.000 1.000 CB 1.437 11 residues pruned to eliminate duplicates Z: 34 25.985 1.979 0.849 0.447 0.909 0.545 CB 1.437 36 residues pruned to eliminate duplicates Z: 9 18.554 1.995 0.787 0.909 1.000 0.875 CB 1.305 9 residues pruned to eliminate duplicates Z: 54 34.817 1.919 0.855 0.646 0.906 0.547 CB 1.295 54 residues pruned to eliminate duplicates Z: 10 8.596 1.477 0.433 0.869 1.000 0.889 CB 0.989 10 residues pruned to eliminate duplicates Z: 10 10.861 1.720 0.744 0.786 0.778 0.444 CA 1.206 10 residues pruned to eliminate duplicates Z: 39 23.366 1.990 0.837 0.383 0.789 0.421 CB 1.487 34 residues pruned to eliminate duplicates Z: 12 14.462 1.915 0.558 0.671 1.000 0.455 CB 1.248 12 residues pruned to eliminate duplicates Z: 12 15.302 1.832 0.671 0.808 0.818 0.364 CA 1.408 12 residues pruned to eliminate duplicates Z: 11 18.445 1.816 0.840 0.897 1.000 0.700 CB 1.249 11 residues pruned to eliminate duplicates Z: 40 20.950 1.872 0.776 0.398 0.897 0.462 CB 1.252 40 residues pruned to eliminate duplicates Z: 11 19.686 2.015 0.917 0.811 0.900 0.600 CA 1.366 11 residues pruned to eliminate duplicates Z: 13 15.539 1.920 0.872 0.642 0.833 0.333 CB 1.311 13 residues pruned to eliminate duplicates Z: 9 5.369 1.538 0.073 0.633 0.875 0.125 CB 1.161 6 1.385 1.408 0.337 0.513 0.800 0.600 CB 0.406 ? Z: 9 11.802 1.805 0.513 0.792 0.875 0.875 CB 1.352 8 residues pruned to eliminate duplicates Z: 7 3.578 1.603 0.846 0.288 0.500 0.333 CA 1.252 2 residues pruned to eliminate duplicates Z: 15 20.476 1.950 1.044 0.873 1.000 0.857 CB 1.000 15 residues pruned to eliminate duplicates Z: 64 34.399 1.918 0.935 0.489 0.952 0.524 CB 1.240 60 residues pruned to eliminate duplicates Z: 11 16.731 1.834 0.737 0.860 1.000 0.700 CB 1.222 10 residues pruned to eliminate duplicates Z: 8 4.828 1.554 0.619 0.265 1.000 0.286 CA 0.949 Z: 8 5.840 1.580 0.421 0.854 0.857 0.857 CB 0.847 8 residues pruned to eliminate duplicates Z: 13 9.963 1.642 0.908 0.461 0.750 0.500 CA 1.274 Z: 21 16.779 1.943 0.637 0.449 0.850 0.650 CA 1.462 21 residues pruned to eliminate duplicates Z: 10 15.670 1.698 0.805 0.862 0.889 0.667 CA 1.407 10 residues pruned to eliminate duplicates Z: 18 18.985 1.788 0.968 0.788 0.882 0.706 CA 1.151 18 residues pruned to eliminate duplicates Z: 6 3.067 1.291 0.310 0.829 1.000 1.000 N 0.610 6 residues pruned to eliminate duplicates Z: 13 20.783 1.928 1.081 0.892 0.917 0.500 CB 1.172 13 residues pruned to eliminate duplicates Z: 6 10.990 1.944 0.867 0.529 0.800 0.600 CA 1.646 6 residues pruned to eliminate duplicates Z: 10 15.194 1.968 0.702 0.917 1.000 1.000 CA 1.067 10 residues pruned to eliminate duplicates Z: 67 32.004 1.945 0.861 0.452 0.894 0.500 CB 1.279 67 residues pruned to eliminate duplicates Z: 39 25.599 1.897 0.814 0.547 0.947 0.605 CB 1.217 39 residues pruned to eliminate duplicates Z: 9 9.747 1.777 0.715 0.860 1.000 0.750 CB 0.832 9 residues pruned to eliminate duplicates Z: 19 13.513 1.826 0.251 0.572 0.944 0.722 CB 1.377 19 residues pruned to eliminate duplicates Z: 21 9.418 1.778 0.511 0.420 0.750 0.500 CB 1.136 17 residues pruned to eliminate duplicates Z: 6 5.619 1.753 0.646 0.298 0.800 0.600 CA 1.364 6 residues pruned to eliminate duplicates Z: 62 32.865 1.881 0.776 0.534 0.951 0.492 CB 1.282 62 residues pruned to eliminate duplicates Z: 15 10.667 1.462 0.442 0.803 1.000 0.714 CA 1.038 15 residues pruned to eliminate duplicates Z: 6 3.783 1.236 0.060 0.780 1.000 0.800 CA 1.009 6 residues pruned to eliminate duplicates Z: 62 36.992 1.996 0.786 0.716 0.885 0.672 CB 1.234 62 residues pruned to eliminate duplicates Z: 12 14.731 1.908 0.521 0.779 1.000 0.727 CA 1.197 11 residues pruned to eliminate duplicates Z: 27 14.765 1.793 0.636 0.370 0.846 0.462 CB 1.341 27 residues pruned to eliminate duplicates Z: 7 6.559 1.866 1.387 0.473 0.667 0.500 CB 0.927 Z: 13 20.250 1.888 0.774 0.853 0.917 0.500 CA 1.408 13 residues pruned to eliminate duplicates Z: 6 7.797 2.020 0.281 0.811 1.000 0.800 CA 1.028 6 residues pruned to eliminate duplicates Z: 10 13.569 1.939 0.328 0.883 1.000 0.889 CA 1.270 10 residues pruned to eliminate duplicates Z: 9 17.884 1.929 0.899 0.901 1.000 0.625 CB 1.232 13 residues pruned to eliminate duplicates Z: 8 12.314 1.792 0.908 0.762 1.000 0.571 CA 1.079 7 residues pruned to eliminate duplicates Z: 12 15.285 1.888 0.637 0.763 0.909 0.727 CB 1.299 12 residues pruned to eliminate duplicates Z: 9 15.142 1.793 0.793 0.910 1.000 1.000 CB 1.181 9 residues pruned to eliminate duplicates Z: 9 9.982 1.736 0.728 0.831 1.000 0.500 CB 0.884 9 residues pruned to eliminate duplicates Z: 17 16.170 1.666 0.701 0.894 0.938 0.750 CB 1.092 17 residues pruned to eliminate duplicates Z: 43 17.043 1.881 0.753 0.308 0.786 0.500 CB 1.257 43 residues pruned to eliminate duplicates Z: 15 21.394 1.870 0.787 0.829 0.929 0.857 CB 1.387 15 residues pruned to eliminate duplicates Z: 18 24.795 1.841 0.762 0.866 1.000 0.824 CB 1.357 18 residues pruned to eliminate duplicates Z: 12 18.382 1.865 0.730 0.843 0.909 0.727 CA 1.407 12 residues pruned to eliminate duplicates Z: 10 15.688 1.701 1.009 0.859 0.889 0.778 CB 1.267 10 residues pruned to eliminate duplicates Z: 11 17.412 1.934 0.879 0.782 0.900 0.500 CA 1.313 11 residues pruned to eliminate duplicates Z: 30 20.313 1.982 0.950 0.328 0.828 0.483 CB 1.424 30 residues pruned to eliminate duplicates Z: 7 6.659 1.795 0.304 0.664 1.000 1.000 CB 0.998 7 residues pruned to eliminate duplicates Z: 12 21.426 1.922 0.721 0.894 1.000 0.636 CA 1.401 12 residues pruned to eliminate duplicates Z: 53 28.078 1.928 0.809 0.475 0.904 0.538 CB 1.267 53 residues pruned to eliminate duplicates Z: 11 14.538 1.827 0.787 0.786 1.000 0.500 CA 1.095 11 residues pruned to eliminate duplicates Z: 13 30.485 2.106 1.060 0.941 1.000 0.667 CB 1.408 13 residues pruned to eliminate duplicates Z: 11 14.579 1.969 0.683 0.672 0.900 0.500 CB 1.319 11 residues pruned to eliminate duplicates Z: 10 6.445 1.932 0.374 0.331 0.667 0.444 CA 1.461 10 residues pruned to eliminate duplicates Z: 17 22.550 1.822 0.812 0.821 0.938 0.750 CA 1.379 17 residues pruned to eliminate duplicates Z: 13 16.890 2.054 0.527 0.885 0.917 0.500 CB 1.224 13 residues pruned to eliminate duplicates Z: 16 15.530 1.917 0.843 0.683 0.933 0.933 CB 1.027 16 residues pruned to eliminate duplicates Z: 8 8.184 1.723 0.361 0.744 0.857 0.714 CB 1.237 8 residues pruned to eliminate duplicates Z: 21 28.997 1.995 1.102 0.604 0.950 0.550 CB 1.474 21 residues pruned to eliminate duplicates Z: 10 10.684 1.927 0.543 0.393 0.889 0.556 CB 1.509 10 residues pruned to eliminate duplicates Z: 16 19.633 2.032 0.831 0.615 0.867 0.667 CA 1.409 16 residues pruned to eliminate duplicates Z: 10 9.507 1.738 0.018 0.912 1.000 0.778 CB 1.268 10 residues pruned to eliminate duplicates Z: 12 17.398 1.698 0.622 0.907 1.000 0.909 CA 1.353 11 residues pruned to eliminate duplicates Z: 12 13.387 1.978 0.668 0.528 0.909 0.545 CB 1.309 12 residues pruned to eliminate duplicates Z: 60 36.158 1.895 0.802 0.540 0.966 0.576 CB 1.372 60 residues pruned to eliminate duplicates Z: 18 18.080 1.764 0.763 0.811 0.941 0.647 CB 1.142 18 residues pruned to eliminate duplicates Z: 12 24.538 2.040 1.137 0.877 0.909 0.636 CA 1.356 12 residues pruned to eliminate duplicates Z: 21 26.782 2.031 1.063 0.610 0.950 0.550 CB 1.356 21 residues pruned to eliminate duplicates Z: 13 15.804 2.035 0.684 0.935 0.917 0.667 CB 1.012 13 residues pruned to eliminate duplicates Z: 11 10.482 1.709 0.613 0.926 0.900 0.700 CB 0.937 11 residues pruned to eliminate duplicates Z: 15 9.133 2.023 0.513 0.285 0.786 0.429 CB 1.294 21 residues pruned to eliminate duplicates Z: 29 13.912 1.797 0.665 0.481 0.857 0.536 CB 1.046 28 residues pruned to eliminate duplicates Z: 10 11.202 1.758 0.675 0.880 1.000 0.778 CB 0.919 10 residues pruned to eliminate duplicates Z: 9 10.585 1.834 0.772 0.590 0.750 0.500 CB 1.409 Z: 10 21.962 1.840 1.029 0.920 1.000 0.889 CB 1.381 10 residues pruned to eliminate duplicates Z: 12 15.998 1.679 0.604 0.924 1.000 0.909 CA 1.258 12 residues pruned to eliminate duplicates Z: 18 23.115 1.812 0.848 0.862 1.000 0.824 CB 1.230 18 residues pruned to eliminate duplicates Z: 13 11.410 1.606 0.577 0.853 0.917 0.667 CB 1.049 11 residues pruned to eliminate duplicates Z: 17 20.619 1.869 0.812 0.821 0.875 0.688 CB 1.317 17 residues pruned to eliminate duplicates Z: 10 15.740 1.801 1.013 0.922 1.000 0.556 CB 1.018 10 residues pruned to eliminate duplicates Z: 24 15.701 1.801 0.699 0.482 0.870 0.609 CA 1.253 19 residues pruned to eliminate duplicates Z: 9 18.031 1.972 0.602 0.898 1.000 0.875 CB 1.443 9 residues pruned to eliminate duplicates Z: 12 10.092 1.624 0.401 0.919 1.000 0.636 CB 0.943 12 residues pruned to eliminate duplicates Z: 8 3.174 1.645 -0.024 0.574 0.714 0.571 CB 0.974 Z: 9 12.786 1.895 0.314 0.915 1.000 1.000 CB 1.283 9 residues pruned to eliminate duplicates Z: 10 17.435 1.866 1.050 0.892 0.889 0.778 CA 1.228 10 residues pruned to eliminate duplicates Z: 15 12.567 1.613 0.791 0.775 0.929 0.571 CB 0.982 15 residues pruned to eliminate duplicates Z: 11 7.697 1.869 0.302 0.809 0.700 0.600 CB 1.091 11 residues pruned to eliminate duplicates Z: 18 19.354 1.880 0.863 0.644 0.882 0.529 CB 1.328 24 residues pruned to eliminate duplicates Z: 6 6.515 1.642 0.171 0.719 1.000 0.600 CB 1.243 6 residues pruned to eliminate duplicates Z: 17 26.250 1.860 1.048 0.836 0.938 0.812 CB 1.375 17 residues pruned to eliminate duplicates Z: 6 11.667 1.721 0.977 0.568 1.000 0.800 N 1.435 Z: 22 17.452 1.870 0.751 0.533 0.905 0.619 CB 1.244 22 residues pruned to eliminate duplicates Z: 15 17.926 1.914 1.066 0.638 0.857 0.500 CB 1.242 15 residues pruned to eliminate duplicates Z: 15 9.496 1.610 0.546 0.640 0.857 0.571 CB 1.043 15 residues pruned to eliminate duplicates Z: 12 12.197 1.540 0.451 0.889 1.000 0.909 CA 1.185 11 residues pruned to eliminate duplicates Z: 7 4.608 1.846 0.709 0.250 0.667 0.333 N 1.193 Z: 14 14.435 1.657 0.643 0.812 0.923 0.769 CA 1.214 13 residues pruned to eliminate duplicates Z: 9 21.304 1.948 1.104 0.890 1.000 0.500 CA 1.322 9 residues pruned to eliminate duplicates Z: 6 11.707 1.776 1.003 0.824 1.000 1.000 CA 1.112 6 residues pruned to eliminate duplicates Z: 12 23.588 1.940 1.069 0.788 0.909 0.273 CB 1.514 12 residues pruned to eliminate duplicates Z: 10 14.685 1.771 0.864 0.869 1.000 0.556 CB 1.083 10 residues pruned to eliminate duplicates Z: 23 19.141 1.850 0.722 0.509 0.955 0.364 CB 1.330 23 residues pruned to eliminate duplicates Z: 10 9.419 1.769 0.229 0.892 1.000 0.667 CB 1.038 10 residues pruned to eliminate duplicates Z: 23 22.427 1.912 0.898 0.472 0.909 0.500 CB 1.492 23 residues pruned to eliminate duplicates Z: 10 11.897 1.664 0.624 0.818 1.000 0.556 CA 1.114 10 residues pruned to eliminate duplicates Z: 22 20.929 1.978 0.915 0.416 0.952 0.476 CB 1.383 22 residues pruned to eliminate duplicates Z: 6 6.018 1.691 0.224 0.665 1.000 0.800 CB 1.117 6 residues pruned to eliminate duplicates Z: 8 5.738 1.695 0.557 0.711 0.857 0.857 CB 0.792 8 residues pruned to eliminate duplicates Z: 17 9.688 1.837 0.162 0.611 0.938 0.500 CB 1.088 17 residues pruned to eliminate duplicates Z: 10 13.014 1.767 0.868 0.703 0.778 0.333 CB 1.404 19 residues pruned to eliminate duplicates Z: 8 5.426 1.408 0.406 0.664 0.857 0.429 CB 1.038 Z: 9 7.171 1.789 0.417 0.629 0.875 0.625 CB 1.013 9 residues pruned to eliminate duplicates Z: 10 11.359 1.856 0.130 0.871 1.000 1.000 CB 1.317 10 residues pruned to eliminate duplicates Z: 12 9.778 1.664 1.129 0.386 0.727 0.455 CA 1.291 12 residues pruned to eliminate duplicates Z: 9 14.476 1.799 0.734 0.869 1.000 0.625 CA 1.199 9 residues pruned to eliminate duplicates Z: 31 40.952 2.000 1.149 0.760 1.000 0.533 CB 1.380 28 residues pruned to eliminate duplicates Z: 41 29.256 1.965 0.868 0.437 0.950 0.525 CB 1.415 41 residues pruned to eliminate duplicates Z: 24 11.622 1.827 0.488 0.414 0.913 0.478 CB 1.067 24 residues pruned to eliminate duplicates Z: 31 20.305 1.949 0.764 0.554 0.867 0.567 CB 1.181 31 residues pruned to eliminate duplicates Z: 13 18.861 1.933 0.730 0.883 0.917 0.667 CB 1.284 13 residues pruned to eliminate duplicates Z: 19 11.863 1.789 0.475 0.488 0.889 0.611 CB 1.207 19 residues pruned to eliminate duplicates Z: 37 24.526 2.037 0.883 0.426 0.889 0.528 CB 1.294 37 residues pruned to eliminate duplicates Z: 12 15.195 1.955 0.364 0.805 1.000 0.909 CA 1.317 11 residues pruned to eliminate duplicates Z: 11 11.274 1.541 0.323 0.901 1.000 0.700 CB 1.248 11 residues pruned to eliminate duplicates Z: 21 14.441 1.841 0.717 0.465 0.850 0.450 CB 1.246 21 residues pruned to eliminate duplicates Z: 27 21.848 1.924 0.825 0.425 0.885 0.500 CB 1.491 27 residues pruned to eliminate duplicates Z: 12 11.576 1.619 1.088 0.755 0.909 0.364 CB 0.905 12 residues pruned to eliminate duplicates Z: 14 14.664 1.862 0.460 0.706 0.923 0.769 CA 1.344 13 residues pruned to eliminate duplicates Z: 10 11.100 1.798 0.974 0.693 0.889 0.667 CA 0.983 10 residues pruned to eliminate duplicates Z: 18 24.175 2.103 0.879 0.565 0.941 0.588 CA 1.481 18 residues pruned to eliminate duplicates Z: 20 14.820 1.809 0.540 0.547 0.947 0.526 CB 1.231 20 residues pruned to eliminate duplicates Z: 12 11.375 1.684 0.343 0.889 1.000 0.818 CB 1.091 12 residues pruned to eliminate duplicates Z: 10 5.631 1.408 0.521 0.768 0.778 0.556 CB 0.889 10 residues pruned to eliminate duplicates Z: 6 3.914 1.563 0.584 0.319 0.800 0.600 CB 1.079 Z: 7 5.050 1.212 0.875 0.483 1.000 0.667 CA 0.923 Z: 12 11.346 1.575 0.477 0.862 0.909 0.727 CB 1.188 12 residues pruned to eliminate duplicates Z: 15 29.215 2.007 0.832 0.890 1.000 0.643 CB 1.528 15 residues pruned to eliminate duplicates Z: 11 18.998 2.082 0.454 0.827 1.000 0.500 CA 1.496 12 residues pruned to eliminate duplicates Z: 9 8.706 1.846 0.892 0.332 0.750 0.500 CB 1.413 9 residues pruned to eliminate duplicates Z: 7 6.836 1.888 0.588 0.467 0.833 0.333 CB 1.155 16 residues pruned to eliminate duplicates Z: 8 8.980 1.828 0.609 0.627 0.857 0.714 CB 1.194 8 residues pruned to eliminate duplicates Z: 20 12.502 1.826 0.735 0.487 0.737 0.421 CB 1.245 20 residues pruned to eliminate duplicates Z: 12 20.671 1.806 0.981 0.812 1.000 0.455 CB 1.327 12 residues pruned to eliminate duplicates Z: 17 17.032 1.791 0.566 0.660 1.000 0.750 CB 1.309 17 residues pruned to eliminate duplicates Z: 33 25.412 1.909 0.890 0.645 0.969 0.625 CB 1.123 33 residues pruned to eliminate duplicates Z: 9 18.018 1.930 1.221 0.877 0.875 0.500 CB 1.234 9 residues pruned to eliminate duplicates Z: 9 10.033 1.822 0.719 0.741 0.750 0.375 CB 1.217 9 residues pruned to eliminate duplicates Z: 6 2.836 1.115 0.809 0.619 0.800 0.600 CA 0.702 Z: 19 13.527 1.849 0.551 0.427 0.833 0.444 CB 1.439 19 residues pruned to eliminate duplicates Z: 6 2.305 1.276 0.476 0.309 0.800 0.400 CB 0.846 Z: 13 16.410 1.576 0.777 0.872 1.000 0.750 CB 1.233 14 residues pruned to eliminate duplicates Z: 6 3.029 1.133 0.350 0.591 1.000 0.800 CB 0.811 Z: 10 8.765 1.738 0.674 0.722 0.889 0.778 CA 0.925 10 residues pruned to eliminate duplicates Z: 15 16.258 1.939 0.768 0.519 0.929 0.643 CA 1.340 15 residues pruned to eliminate duplicates Z: 10 9.922 1.738 0.647 0.890 0.889 0.444 CB 0.935 10 residues pruned to eliminate duplicates Z: 11 10.371 1.819 0.733 0.876 1.000 0.900 CB 0.756 11 residues pruned to eliminate duplicates Z: 13 14.491 1.804 1.074 0.763 0.917 0.417 CB 0.966 13 residues pruned to eliminate duplicates Z: 13 13.368 1.714 0.586 0.856 1.000 0.667 CB 1.046 13 residues pruned to eliminate duplicates Z: 8 8.102 1.673 0.719 0.677 1.000 0.857 CA 0.904 8 residues pruned to eliminate duplicates 384 residues left after pruning, divided into chains as follows: A: 9 B: 11 C: 141 D: 25 E: 13 F: 56 G: 11 H: 9 I: 58 J: 17 K: 34 CC for partial structure against native data = 38.10 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.451, Connect. = 0.693 for dens.mod. cycle 1 = 0.300, Contrast = 0.525, Connect. = 0.721 for dens.mod. cycle 2 = 0.300, Contrast = 0.625, Connect. = 0.755 for dens.mod. cycle 3 = 0.300, Contrast = 0.634, Connect. = 0.758 for dens.mod. cycle 4 = 0.300, Contrast = 0.644, Connect. = 0.760 for dens.mod. cycle 5 = 0.300, Contrast = 0.648, Connect. = 0.762 for dens.mod. cycle 6 = 0.300, Contrast = 0.652, Connect. = 0.763 for dens.mod. cycle 7 = 0.300, Contrast = 0.655, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.656, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.657, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2411 peaks > 0.5 sigma used to seed fragment search Space for about 606 unique residues taking solvent into account 535 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 24.731 2.136 0.532 0.883 0.923 0.769 CA 1.642 B: 13 29.867 2.296 0.585 0.909 0.917 0.750 CA 1.834 14 residues pruned to eliminate duplicates C: 14 33.500 2.200 0.837 0.885 1.000 0.769 CA 1.660 13 residues pruned to eliminate duplicates D: 13 24.695 2.254 0.345 0.900 0.917 0.750 CB 1.833 13 residues pruned to eliminate duplicates E: 14 33.497 2.206 0.828 0.905 1.000 0.923 CA 1.640 14 residues pruned to eliminate duplicates F: 13 24.617 2.247 0.741 0.913 1.000 0.833 CB 1.286 G: 11 18.093 2.043 1.033 0.767 0.800 0.800 CA 1.359 H: 15 22.378 2.128 0.989 0.875 0.929 0.643 CB 1.107 I: 18 24.697 1.932 0.805 0.832 0.941 0.647 CB 1.370 J: 15 31.692 2.160 0.863 0.887 0.929 0.643 CA 1.634 15 residues pruned to eliminate duplicates K: 15 25.895 2.134 0.928 0.884 0.929 0.714 CB 1.310 13 residues pruned to eliminate duplicates L: 15 29.569 2.079 1.029 0.907 1.000 0.786 CB 1.331 15 residues pruned to eliminate duplicates M: 11 20.178 2.025 0.910 0.937 1.000 1.000 CA 1.148 N: 17 25.201 1.936 1.322 0.852 0.875 0.688 CA 1.184 O: 15 21.448 2.098 1.076 0.892 0.929 0.857 CB 1.018 15 residues pruned to eliminate duplicates P: 17 31.870 2.032 0.979 0.851 1.000 0.688 CA 1.467 17 residues pruned to eliminate duplicates Q: 14 20.415 2.011 0.689 0.886 1.000 0.692 CA 1.203 11 residues pruned to eliminate duplicates R: 11 23.762 2.190 0.947 0.882 1.000 0.800 CA 1.275 11 residues pruned to eliminate duplicates S: 64 31.963 2.057 0.847 0.366 0.873 0.508 CB 1.402 T: 12 21.450 1.952 1.005 0.802 1.000 0.727 CB 1.270 U: 17 35.281 2.044 1.264 0.863 0.938 0.625 CA 1.492 17 residues pruned to eliminate duplicates V: 20 23.128 2.133 0.548 0.583 1.000 0.684 CA 1.484 W: 18 17.799 1.935 0.540 0.775 0.882 0.706 CB 1.288 18 residues pruned to eliminate duplicates X: 12 20.897 1.960 0.833 0.854 1.000 0.545 CA 1.295 13 residues pruned to eliminate duplicates Y: 32 27.001 1.997 0.551 0.582 0.968 0.613 CB 1.496 Z: 13 19.470 2.040 0.894 0.935 1.000 0.833 CB 1.014 Z: 17 29.214 1.934 1.173 0.879 1.000 0.688 CA 1.261 17 residues pruned to eliminate duplicates Z: 96 48.106 2.086 0.832 0.555 0.884 0.558 CB 1.385 95 residues pruned to eliminate duplicates Z: 50 33.175 2.098 0.743 0.420 0.939 0.531 CB 1.500 22 residues pruned to eliminate duplicates Z: 12 17.000 2.041 0.416 0.801 1.000 0.636 CA 1.364 12 residues pruned to eliminate duplicates Z: 12 17.926 2.071 0.813 0.920 0.909 0.727 CB 1.116 12 residues pruned to eliminate duplicates Z: 12 17.223 2.075 0.589 0.912 1.000 0.909 CB 1.116 12 residues pruned to eliminate duplicates Z: 13 17.677 1.871 0.760 0.866 0.917 0.500 CA 1.238 13 residues pruned to eliminate duplicates Z: 11 19.357 2.001 1.101 0.824 0.900 0.900 CA 1.221 10 residues pruned to eliminate duplicates Z: 12 10.482 1.626 0.307 0.844 1.000 0.727 CA 1.107 Z: 12 20.505 2.099 0.560 0.814 1.000 0.636 CA 1.437 12 residues pruned to eliminate duplicates Z: 63 39.304 2.105 0.803 0.466 0.919 0.516 CB 1.481 63 residues pruned to eliminate duplicates Z: 13 13.747 1.906 0.562 0.799 0.833 0.583 CA 1.230 13 residues pruned to eliminate duplicates Z: 14 19.955 2.141 0.770 0.891 0.846 0.769 CB 1.240 14 residues pruned to eliminate duplicates Z: 15 26.059 2.052 0.459 0.883 1.000 0.786 CA 1.682 15 residues pruned to eliminate duplicates Z: 13 31.644 2.251 0.571 0.909 1.000 0.750 CB 1.834 13 residues pruned to eliminate duplicates Z: 11 18.128 2.082 0.578 0.840 0.900 0.600 CB 1.447 12 residues pruned to eliminate duplicates Z: 12 15.967 1.758 0.435 0.905 1.000 0.818 CA 1.359 12 residues pruned to eliminate duplicates Z: 13 20.698 1.995 0.627 0.706 1.000 0.667 CA 1.527 Z: 12 25.389 1.974 1.341 0.874 0.909 0.636 CB 1.326 13 residues pruned to eliminate duplicates Z: 48 45.347 2.163 0.992 0.728 0.936 0.574 CB 1.335 50 residues pruned to eliminate duplicates Z: 9 28.084 2.341 0.866 0.894 1.000 0.875 CA 1.631 11 residues pruned to eliminate duplicates Z: 17 34.988 2.008 1.141 0.865 1.000 0.625 CA 1.490 17 residues pruned to eliminate duplicates Z: 11 11.985 1.857 0.113 0.898 0.900 0.800 CB 1.456 Z: 14 20.439 1.853 0.713 0.878 1.000 1.000 CB 1.297 14 residues pruned to eliminate duplicates Z: 9 12.377 1.898 0.427 0.863 1.000 0.750 CB 1.185 9 residues pruned to eliminate duplicates Z: 13 6.596 1.833 0.779 0.355 0.583 0.417 CB 1.170 Z: 82 47.512 2.047 0.868 0.653 0.914 0.543 CB 1.311 77 residues pruned to eliminate duplicates Z: 14 34.080 2.244 0.691 0.899 1.000 0.769 CA 1.780 14 residues pruned to eliminate duplicates Z: 12 19.619 1.887 0.853 0.845 0.909 0.636 CA 1.383 12 residues pruned to eliminate duplicates Z: 12 17.016 2.110 0.402 0.806 1.000 0.636 CA 1.328 13 residues pruned to eliminate duplicates Z: 34 32.056 2.044 0.820 0.664 1.000 0.727 CB 1.288 34 residues pruned to eliminate duplicates Z: 13 16.908 2.093 0.509 0.915 0.917 0.750 CB 1.191 13 residues pruned to eliminate duplicates Z: 10 22.734 2.218 1.089 0.789 0.778 0.667 CA 1.632 10 residues pruned to eliminate duplicates Z: 12 26.852 2.110 0.856 0.865 1.000 0.818 CA 1.515 11 residues pruned to eliminate duplicates Z: 7 13.363 1.747 0.906 0.770 1.000 0.500 CA 1.291 7 residues pruned to eliminate duplicates Z: 57 34.487 2.070 0.773 0.459 0.929 0.571 CB 1.411 61 residues pruned to eliminate duplicates Z: 14 20.983 2.116 1.173 0.906 0.923 0.923 CB 0.975 14 residues pruned to eliminate duplicates Z: 12 23.491 2.217 0.540 0.812 1.000 0.636 CB 1.580 12 residues pruned to eliminate duplicates Z: 12 24.586 2.132 0.734 0.892 1.000 0.636 CA 1.440 Z: 13 23.537 1.996 0.955 0.844 0.917 0.833 CA 1.414 13 residues pruned to eliminate duplicates Z: 50 32.290 2.080 0.767 0.442 0.878 0.490 CB 1.519 50 residues pruned to eliminate duplicates Z: 48 38.026 2.140 0.722 0.494 0.957 0.596 CB 1.582 49 residues pruned to eliminate duplicates Z: 10 21.965 2.166 0.499 0.880 1.000 0.889 CA 1.634 11 residues pruned to eliminate duplicates Z: 13 17.281 1.867 0.695 0.824 0.917 0.417 CA 1.299 Z: 13 23.387 2.044 0.655 0.824 1.000 0.583 CA 1.507 13 residues pruned to eliminate duplicates Z: 33 24.276 2.126 0.717 0.374 0.844 0.594 CB 1.594 28 residues pruned to eliminate duplicates Z: 7 7.585 1.650 0.617 0.784 0.833 0.667 CA 1.085 7 residues pruned to eliminate duplicates Z: 13 16.145 1.924 0.644 0.741 0.833 0.583 CA 1.424 13 residues pruned to eliminate duplicates Z: 15 27.405 2.134 0.732 0.882 0.857 0.643 CA 1.674 15 residues pruned to eliminate duplicates Z: 10 12.362 1.962 0.330 0.739 0.889 0.556 CB 1.434 10 residues pruned to eliminate duplicates Z: 14 28.855 2.166 0.852 0.901 1.000 0.769 CA 1.424 14 residues pruned to eliminate duplicates Z: 11 22.026 2.230 0.600 0.847 1.000 0.700 CB 1.449 11 residues pruned to eliminate duplicates Z: 12 13.609 1.801 0.577 0.868 0.909 0.818 CB 1.162 11 residues pruned to eliminate duplicates Z: 13 14.154 1.868 0.618 0.701 0.917 0.667 CA 1.228 13 residues pruned to eliminate duplicates Z: 58 35.245 2.089 0.803 0.397 0.895 0.544 CB 1.545 58 residues pruned to eliminate duplicates Z: 12 17.290 2.083 0.630 0.757 0.818 0.727 CB 1.492 12 residues pruned to eliminate duplicates Z: 24 25.296 2.138 0.855 0.365 0.913 0.652 CB 1.684 24 residues pruned to eliminate duplicates Z: 17 26.682 1.971 0.758 0.845 1.000 0.812 CB 1.430 17 residues pruned to eliminate duplicates Z: 13 25.670 2.075 1.083 0.851 0.917 0.750 CA 1.384 13 residues pruned to eliminate duplicates Z: 59 41.992 2.122 0.744 0.629 0.914 0.690 CB 1.445 56 residues pruned to eliminate duplicates Z: 71 37.608 2.077 0.764 0.441 0.914 0.543 CB 1.425 71 residues pruned to eliminate duplicates Z: 13 17.223 1.856 0.541 0.825 1.000 0.583 CA 1.312 13 residues pruned to eliminate duplicates Z: 11 15.809 2.088 0.377 0.758 1.000 0.600 CA 1.382 11 residues pruned to eliminate duplicates Z: 62 37.154 2.045 0.835 0.449 0.869 0.508 CB 1.538 62 residues pruned to eliminate duplicates Z: 43 34.836 2.141 0.840 0.473 0.905 0.571 CB 1.549 43 residues pruned to eliminate duplicates Z: 16 28.069 2.015 1.079 0.885 0.933 0.800 CA 1.338 16 residues pruned to eliminate duplicates Z: 11 20.114 2.256 0.495 0.820 0.900 0.800 CB 1.588 11 residues pruned to eliminate duplicates Z: 13 9.578 1.759 0.520 0.818 0.833 0.833 CA 0.941 13 residues pruned to eliminate duplicates Z: 12 13.352 1.901 0.548 0.770 0.818 0.818 CA 1.317 12 residues pruned to eliminate duplicates Z: 60 39.958 2.079 0.878 0.489 0.898 0.593 CB 1.501 60 residues pruned to eliminate duplicates Z: 11 16.640 2.106 0.739 0.918 1.000 0.800 CB 1.013 11 residues pruned to eliminate duplicates Z: 16 24.608 2.015 0.940 0.845 0.867 0.533 CB 1.394 16 residues pruned to eliminate duplicates Z: 14 16.712 1.897 0.540 0.795 1.000 0.615 CA 1.224 12 residues pruned to eliminate duplicates Z: 31 28.774 2.005 0.809 0.621 0.867 0.467 CB 1.492 31 residues pruned to eliminate duplicates Z: 12 23.164 2.207 0.776 0.835 1.000 0.818 CA 1.335 12 residues pruned to eliminate duplicates Z: 11 16.433 1.865 0.703 0.881 1.000 0.800 CB 1.184 Z: 31 31.233 2.173 0.858 0.388 0.933 0.567 CB 1.704 33 residues pruned to eliminate duplicates Z: 13 20.901 2.122 0.642 0.784 0.917 0.500 CB 1.472 13 residues pruned to eliminate duplicates Z: 11 20.516 2.161 0.533 0.839 1.000 0.700 CB 1.463 10 residues pruned to eliminate duplicates Z: 28 24.183 2.048 0.860 0.374 0.889 0.556 CB 1.572 28 residues pruned to eliminate duplicates Z: 10 13.068 1.955 0.216 0.888 0.889 0.889 CB 1.486 10 residues pruned to eliminate duplicates Z: 11 16.073 1.805 0.788 0.897 1.000 0.800 CB 1.127 12 residues pruned to eliminate duplicates Z: 12 10.361 1.900 0.660 0.734 0.818 0.545 CB 0.982 12 residues pruned to eliminate duplicates Z: 13 15.266 1.918 0.422 0.875 0.917 0.667 CA 1.282 13 residues pruned to eliminate duplicates Z: 12 10.522 1.719 0.183 0.785 0.909 0.818 CA 1.335 12 residues pruned to eliminate duplicates Z: 10 15.137 2.150 0.525 0.902 0.889 0.667 CB 1.235 10 residues pruned to eliminate duplicates Z: 10 24.634 2.154 0.752 0.862 1.000 0.889 CA 1.597 10 residues pruned to eliminate duplicates Z: 15 22.832 2.002 0.718 0.928 0.929 0.857 CB 1.339 15 residues pruned to eliminate duplicates Z: 131 66.123 2.127 0.855 0.607 0.923 0.669 CB 1.438 132 residues pruned to eliminate duplicates Z: 50 32.143 2.080 0.673 0.435 0.918 0.551 CB 1.536 50 residues pruned to eliminate duplicates Z: 11 20.223 2.215 0.485 0.870 1.000 0.900 CA 1.418 11 residues pruned to eliminate duplicates Z: 14 19.675 2.105 0.904 0.934 1.000 0.846 CB 0.950 14 residues pruned to eliminate duplicates Z: 40 25.980 2.119 0.659 0.406 0.872 0.513 CB 1.497 40 residues pruned to eliminate duplicates Z: 29 34.486 2.057 0.933 0.644 1.000 0.571 CB 1.433 29 residues pruned to eliminate duplicates Z: 20 24.137 2.139 0.986 0.684 0.895 0.684 CB 1.230 20 residues pruned to eliminate duplicates Z: 12 18.528 2.088 0.609 0.897 1.000 0.909 CA 1.191 12 residues pruned to eliminate duplicates Z: 14 32.909 2.253 0.801 0.883 0.923 0.769 CA 1.761 14 residues pruned to eliminate duplicates Z: 10 11.416 1.986 0.619 0.636 0.778 0.556 CA 1.340 9 residues pruned to eliminate duplicates Z: 35 17.251 1.979 0.656 0.400 0.824 0.529 CA 1.217 47 residues pruned to eliminate duplicates Z: 13 28.729 2.012 1.031 0.949 1.000 1.000 CB 1.401 13 residues pruned to eliminate duplicates Z: 12 27.749 2.322 0.764 0.924 1.000 1.000 CB 1.435 12 residues pruned to eliminate duplicates Z: 114 57.596 2.086 0.870 0.576 0.920 0.496 CB 1.402 107 residues pruned to eliminate duplicates Z: 30 25.006 1.979 0.749 0.515 0.931 0.621 CB 1.419 30 residues pruned to eliminate duplicates Z: 14 29.848 2.248 0.567 0.893 0.923 0.692 CA 1.827 14 residues pruned to eliminate duplicates Z: 12 12.969 1.758 0.342 0.841 0.909 0.727 CA 1.359 12 residues pruned to eliminate duplicates Z: 48 40.244 2.111 0.810 0.522 0.979 0.489 CB 1.536 48 residues pruned to eliminate duplicates Z: 17 13.223 2.013 0.554 0.328 0.812 0.500 CB 1.571 17 residues pruned to eliminate duplicates Z: 12 25.154 1.964 1.032 0.856 1.000 0.909 CB 1.402 11 residues pruned to eliminate duplicates Z: 17 22.893 1.923 0.876 0.845 0.938 0.625 CB 1.259 17 residues pruned to eliminate duplicates Z: 55 45.866 2.142 0.874 0.677 0.944 0.685 CB 1.399 55 residues pruned to eliminate duplicates Z: 69 47.698 2.127 1.012 0.640 0.882 0.588 CB 1.344 48 residues pruned to eliminate duplicates Z: 11 12.283 1.956 0.279 0.768 0.900 0.600 CB 1.360 11 residues pruned to eliminate duplicates Z: 10 17.768 2.006 0.978 0.867 0.889 0.667 CB 1.229 11 residues pruned to eliminate duplicates Z: 61 33.804 2.033 0.883 0.482 0.867 0.500 CB 1.339 61 residues pruned to eliminate duplicates Z: 12 11.740 1.865 0.681 0.707 0.636 0.545 CB 1.470 12 residues pruned to eliminate duplicates Z: 30 27.764 2.051 0.706 0.568 0.931 0.517 CB 1.481 24 residues pruned to eliminate duplicates Z: 14 16.647 1.910 0.570 0.909 1.000 0.769 CB 1.092 14 residues pruned to eliminate duplicates Z: 15 11.781 1.673 0.497 0.789 0.857 0.643 CB 1.138 15 residues pruned to eliminate duplicates Z: 17 24.786 1.962 0.708 0.834 0.938 0.688 CA 1.478 17 residues pruned to eliminate duplicates Z: 12 16.222 1.995 0.543 0.819 1.000 0.545 CA 1.204 13 residues pruned to eliminate duplicates Z: 12 20.998 2.058 0.604 0.808 1.000 0.636 CB 1.466 12 residues pruned to eliminate duplicates Z: 11 14.157 1.855 0.405 0.904 1.000 0.900 CB 1.224 11 residues pruned to eliminate duplicates Z: 12 10.793 1.745 0.180 0.893 1.000 0.727 CA 1.134 12 residues pruned to eliminate duplicates Z: 11 15.968 2.179 0.392 0.822 0.800 0.700 CA 1.574 11 residues pruned to eliminate duplicates Z: 7 9.908 2.116 0.990 0.535 0.667 0.500 CB 1.392 Z: 11 24.768 2.076 0.836 0.895 1.000 0.600 CA 1.473 11 residues pruned to eliminate duplicates Z: 11 21.707 2.027 1.020 0.866 1.000 0.500 CB 1.227 11 residues pruned to eliminate duplicates Z: 7 8.303 2.008 0.231 0.763 1.000 0.833 CA 1.086 7 residues pruned to eliminate duplicates Z: 17 21.959 1.959 0.753 0.832 0.875 0.625 CB 1.372 17 residues pruned to eliminate duplicates Z: 12 21.409 2.109 0.705 0.849 0.909 0.545 CB 1.463 12 residues pruned to eliminate duplicates Z: 9 13.930 2.127 0.838 0.468 0.875 0.625 CA 1.488 9 residues pruned to eliminate duplicates Z: 13 25.169 1.985 0.794 0.926 1.000 0.917 CB 1.432 13 residues pruned to eliminate duplicates Z: 12 13.438 1.883 0.589 0.765 1.000 0.727 CB 1.071 12 residues pruned to eliminate duplicates Z: 108 53.575 2.124 0.728 0.635 0.935 0.589 CB 1.330 119 residues pruned to eliminate duplicates Z: 13 15.052 1.687 0.731 0.804 1.000 0.833 CA 1.141 13 residues pruned to eliminate duplicates Z: 26 23.610 2.017 0.698 0.558 0.960 0.760 CB 1.358 23 residues pruned to eliminate duplicates Z: 15 28.937 2.060 1.187 0.877 0.929 0.643 CB 1.342 15 residues pruned to eliminate duplicates Z: 7 7.062 1.485 0.240 0.841 1.000 0.833 O 1.167 7 residues pruned to eliminate duplicates Z: 24 22.903 2.088 0.821 0.400 0.913 0.435 CA 1.529 24 residues pruned to eliminate duplicates Z: 14 13.802 1.751 0.732 0.823 0.923 0.615 CB 1.033 14 residues pruned to eliminate duplicates Z: 15 8.328 1.775 0.597 0.316 0.786 0.286 CB 1.224 12 residues pruned to eliminate duplicates Z: 11 22.396 2.212 0.647 0.874 0.900 0.500 CA 1.572 11 residues pruned to eliminate duplicates Z: 11 10.674 1.912 0.933 0.358 0.700 0.500 CB 1.520 11 residues pruned to eliminate duplicates Z: 13 14.654 2.042 0.469 0.637 0.917 0.750 CB 1.353 13 residues pruned to eliminate duplicates Z: 41 29.885 2.118 0.823 0.384 0.925 0.550 CB 1.497 41 residues pruned to eliminate duplicates Z: 59 38.010 2.060 0.678 0.514 0.914 0.569 CB 1.558 59 residues pruned to eliminate duplicates Z: 64 45.121 2.144 0.861 0.633 0.889 0.587 CB 1.415 64 residues pruned to eliminate duplicates Z: 22 21.391 2.054 0.622 0.466 1.000 0.524 CB 1.450 22 residues pruned to eliminate duplicates Z: 34 25.777 2.099 0.774 0.334 0.939 0.515 CA 1.538 34 residues pruned to eliminate duplicates Z: 14 16.661 2.022 0.629 0.899 0.923 0.692 CB 1.087 14 residues pruned to eliminate duplicates Z: 23 25.111 2.056 0.760 0.718 0.864 0.591 CB 1.407 23 residues pruned to eliminate duplicates Z: 135 61.305 2.130 0.751 0.556 0.910 0.575 CB 1.478 135 residues pruned to eliminate duplicates Z: 6 6.157 1.708 0.227 0.811 0.800 0.800 CA 1.254 6 residues pruned to eliminate duplicates Z: 14 20.199 2.048 0.858 0.815 0.846 0.846 CA 1.323 14 residues pruned to eliminate duplicates Z: 18 22.170 1.917 0.775 0.841 1.000 0.706 CB 1.179 18 residues pruned to eliminate duplicates Z: 18 22.011 1.994 0.858 0.605 0.941 0.824 CA 1.385 13 residues pruned to eliminate duplicates Z: 24 18.411 2.127 0.428 0.373 0.957 0.565 CB 1.514 24 residues pruned to eliminate duplicates Z: 11 14.156 1.805 0.557 0.867 1.000 0.800 CB 1.166 10 residues pruned to eliminate duplicates Z: 14 20.924 1.746 0.752 0.872 1.000 0.769 CB 1.382 14 residues pruned to eliminate duplicates Z: 137 64.252 2.146 0.798 0.578 0.912 0.654 CB 1.452 142 residues pruned to eliminate duplicates Z: 12 11.291 1.970 0.279 0.807 0.818 0.455 CA 1.264 12 residues pruned to eliminate duplicates Z: 65 41.461 2.118 0.838 0.470 0.906 0.562 CB 1.514 64 residues pruned to eliminate duplicates Z: 10 17.907 1.884 0.652 0.891 1.000 0.667 CB 1.379 10 residues pruned to eliminate duplicates Z: 98 53.583 2.061 0.897 0.652 0.887 0.639 CB 1.363 100 residues pruned to eliminate duplicates Z: 6 8.422 1.974 0.486 0.754 0.800 0.600 CA 1.280 6 residues pruned to eliminate duplicates Z: 12 12.181 1.995 0.139 0.827 0.909 0.545 CA 1.339 12 residues pruned to eliminate duplicates Z: 59 32.559 1.999 0.724 0.447 0.879 0.569 CB 1.490 59 residues pruned to eliminate duplicates Z: 33 31.683 2.032 0.782 0.686 0.938 0.594 CB 1.391 33 residues pruned to eliminate duplicates Z: 108 59.577 2.140 0.748 0.646 0.963 0.682 CB 1.396 107 residues pruned to eliminate duplicates Z: 23 16.041 1.902 0.638 0.453 0.818 0.727 CB 1.408 23 residues pruned to eliminate duplicates Z: 13 27.660 2.056 0.898 0.921 1.000 0.917 CA 1.439 13 residues pruned to eliminate duplicates Z: 13 18.981 1.978 0.733 0.843 1.000 0.750 CA 1.190 13 residues pruned to eliminate duplicates Z: 9 19.792 2.160 0.862 0.886 1.000 1.000 CA 1.256 9 residues pruned to eliminate duplicates Z: 44 27.145 1.987 0.943 0.506 0.744 0.372 CB 1.432 44 residues pruned to eliminate duplicates Z: 11 16.630 1.858 0.539 0.874 0.900 0.700 CB 1.487 10 residues pruned to eliminate duplicates Z: 21 19.695 2.006 0.522 0.554 0.950 0.600 CB 1.440 21 residues pruned to eliminate duplicates Z: 17 25.986 1.981 0.811 0.869 0.938 0.688 CB 1.410 17 residues pruned to eliminate duplicates Z: 18 33.435 1.968 1.083 0.863 1.000 0.706 CA 1.452 18 residues pruned to eliminate duplicates Z: 83 43.927 2.116 0.775 0.498 0.890 0.549 CB 1.454 84 residues pruned to eliminate duplicates Z: 11 18.343 2.184 0.474 0.856 0.900 0.500 CB 1.477 11 residues pruned to eliminate duplicates Z: 12 16.795 2.025 0.570 0.784 0.909 0.545 CA 1.364 12 residues pruned to eliminate duplicates Z: 12 13.783 1.828 0.235 0.875 1.000 0.818 CB 1.339 12 residues pruned to eliminate duplicates Z: 14 33.255 2.102 1.096 0.902 0.923 0.692 CB 1.617 14 residues pruned to eliminate duplicates Z: 10 13.362 2.110 0.334 0.823 1.000 0.778 CA 1.196 10 residues pruned to eliminate duplicates Z: 52 30.618 1.990 0.834 0.545 0.843 0.549 CB 1.334 51 residues pruned to eliminate duplicates Z: 11 16.651 1.926 0.750 0.920 0.900 0.800 CB 1.222 11 residues pruned to eliminate duplicates Z: 8 3.973 1.608 0.323 0.726 0.714 0.714 CA 0.806 8 residues pruned to eliminate duplicates Z: 11 27.500 2.221 0.741 0.893 1.000 0.800 CA 1.614 12 residues pruned to eliminate duplicates Z: 8 5.896 1.734 0.156 0.499 0.857 0.571 CB 1.299 7 residues pruned to eliminate duplicates Z: 13 17.594 2.063 0.664 0.537 0.917 0.833 CB 1.556 13 residues pruned to eliminate duplicates Z: 35 25.523 2.093 0.680 0.365 0.853 0.471 CB 1.687 33 residues pruned to eliminate duplicates Z: 18 23.643 1.949 0.817 0.822 0.941 0.471 CB 1.301 18 residues pruned to eliminate duplicates Z: 14 13.371 1.829 0.394 0.817 0.923 0.462 CA 1.196 14 residues pruned to eliminate duplicates Z: 10 15.250 1.846 0.830 0.871 0.889 0.333 CB 1.235 10 residues pruned to eliminate duplicates Z: 18 21.296 1.931 0.827 0.797 0.882 0.529 CB 1.280 18 residues pruned to eliminate duplicates Z: 25 19.378 1.940 0.818 0.446 0.833 0.458 CA 1.423 25 residues pruned to eliminate duplicates Z: 12 20.069 1.957 0.785 0.901 1.000 0.727 CB 1.237 12 residues pruned to eliminate duplicates Z: 25 19.464 1.987 0.795 0.462 0.875 0.542 CB 1.323 25 residues pruned to eliminate duplicates Z: 66 34.108 2.069 0.718 0.428 0.908 0.538 CB 1.413 66 residues pruned to eliminate duplicates Z: 17 32.127 2.145 1.035 0.766 0.938 0.500 CB 1.550 17 residues pruned to eliminate duplicates Z: 14 25.439 2.054 0.829 0.812 0.923 0.308 CB 1.550 14 residues pruned to eliminate duplicates Z: 8 12.214 1.859 0.837 0.801 0.714 0.714 CA 1.456 8 residues pruned to eliminate duplicates Z: 12 20.452 1.959 0.651 0.908 1.000 0.818 CB 1.354 12 residues pruned to eliminate duplicates Z: 10 13.968 1.983 0.107 0.919 1.000 0.778 CB 1.494 10 residues pruned to eliminate duplicates Z: 136 68.430 2.151 0.847 0.589 0.948 0.637 CB 1.436 137 residues pruned to eliminate duplicates Z: 14 11.077 1.729 0.500 0.624 0.846 0.538 CB 1.246 14 residues pruned to eliminate duplicates Z: 12 28.966 1.990 1.498 0.829 0.909 0.727 CA 1.454 12 residues pruned to eliminate duplicates Z: 14 21.655 1.973 1.023 0.878 0.846 0.385 CB 1.291 14 residues pruned to eliminate duplicates Z: 17 25.567 1.922 0.845 0.859 1.000 0.812 CA 1.326 17 residues pruned to eliminate duplicates Z: 6 7.346 1.764 0.682 0.699 1.000 0.800 CB 0.923 Z: 36 32.346 2.145 0.908 0.681 0.886 0.600 CB 1.278 36 residues pruned to eliminate duplicates Z: 12 5.571 1.592 0.626 0.247 0.727 0.364 N 1.194 6 residues pruned to eliminate duplicates Z: 36 24.786 1.958 0.681 0.535 0.886 0.514 CB 1.389 36 residues pruned to eliminate duplicates Z: 13 15.536 1.777 0.706 0.888 0.917 0.833 CB 1.163 13 residues pruned to eliminate duplicates Z: 17 29.061 1.982 0.946 0.861 1.000 0.750 CA 1.384 17 residues pruned to eliminate duplicates Z: 47 37.374 2.129 0.812 0.679 0.891 0.674 CB 1.360 47 residues pruned to eliminate duplicates Z: 11 11.067 1.961 0.764 0.528 0.800 0.600 CB 1.230 Z: 18 22.508 1.877 0.882 0.805 0.882 0.765 CB 1.342 18 residues pruned to eliminate duplicates Z: 11 24.714 2.140 0.733 0.888 1.000 0.900 CA 1.519 11 residues pruned to eliminate duplicates Z: 12 14.382 1.722 0.695 0.915 0.909 0.727 CB 1.155 12 residues pruned to eliminate duplicates Z: 21 20.835 2.065 0.618 0.546 0.900 0.500 CA 1.481 21 residues pruned to eliminate duplicates Z: 11 13.690 1.988 0.234 0.813 0.900 0.800 CA 1.493 11 residues pruned to eliminate duplicates Z: 14 29.411 2.194 0.868 0.898 1.000 0.846 CB 1.423 14 residues pruned to eliminate duplicates Z: 68 47.665 2.109 0.884 0.697 0.940 0.627 CB 1.302 68 residues pruned to eliminate duplicates Z: 9 5.231 1.679 0.084 0.629 1.000 0.875 CB 0.900 9 residues pruned to eliminate duplicates Z: 14 14.178 1.734 0.433 0.784 1.000 0.692 CB 1.232 14 residues pruned to eliminate duplicates Z: 6 4.011 1.741 -0.307 0.520 1.000 0.400 N 1.459 Z: 13 15.273 1.757 0.731 0.867 1.000 0.833 CB 1.060 13 residues pruned to eliminate duplicates Z: 11 17.076 1.859 0.649 0.877 1.000 1.000 CA 1.280 11 residues pruned to eliminate duplicates Z: 6 3.225 1.413 1.452 0.339 0.600 0.400 CB 0.827 Z: 6 8.075 1.746 0.478 0.779 0.800 0.800 C 1.368 6 residues pruned to eliminate duplicates Z: 21 24.741 2.057 0.654 0.592 0.950 0.650 CB 1.567 21 residues pruned to eliminate duplicates Z: 10 20.523 2.067 0.689 0.898 1.000 0.778 CB 1.401 12 residues pruned to eliminate duplicates Z: 13 16.495 1.833 0.571 0.783 1.000 0.667 CA 1.288 13 residues pruned to eliminate duplicates Z: 15 23.395 2.102 0.779 0.888 1.000 0.857 CB 1.205 15 residues pruned to eliminate duplicates Z: 12 19.795 1.931 0.835 0.895 1.000 0.909 CB 1.207 12 residues pruned to eliminate duplicates Z: 14 14.443 1.953 0.764 0.412 1.000 0.846 CB 1.275 14 residues pruned to eliminate duplicates Z: 23 26.707 2.011 0.783 0.624 0.955 0.591 CB 1.480 19 residues pruned to eliminate duplicates Z: 31 23.121 1.973 0.485 0.602 0.933 0.567 CB 1.401 31 residues pruned to eliminate duplicates Z: 48 38.226 2.095 0.877 0.539 0.957 0.617 CB 1.425 48 residues pruned to eliminate duplicates Z: 11 18.152 1.855 0.717 0.862 0.900 0.800 CB 1.470 11 residues pruned to eliminate duplicates Z: 48 38.098 2.122 0.833 0.444 0.936 0.532 CB 1.616 50 residues pruned to eliminate duplicates Z: 10 24.977 2.214 0.785 0.920 1.000 0.667 CA 1.484 10 residues pruned to eliminate duplicates Z: 10 9.123 1.918 0.164 0.782 0.889 0.667 CB 1.196 10 residues pruned to eliminate duplicates Z: 13 25.894 2.158 1.061 0.877 1.000 0.583 CB 1.220 13 residues pruned to eliminate duplicates Z: 25 19.468 2.070 0.574 0.381 0.875 0.542 CB 1.582 25 residues pruned to eliminate duplicates Z: 31 24.755 2.102 0.638 0.393 0.933 0.533 CB 1.575 31 residues pruned to eliminate duplicates Z: 11 20.424 2.029 0.735 0.856 1.000 0.700 CB 1.353 11 residues pruned to eliminate duplicates Z: 7 10.721 2.264 0.018 0.887 1.000 1.000 CA 1.370 7 residues pruned to eliminate duplicates Z: 6 3.417 1.426 0.673 0.263 0.800 0.400 N 1.049 7 residues pruned to eliminate duplicates Z: 12 14.051 2.103 0.642 0.874 1.000 0.818 CB 0.892 12 residues pruned to eliminate duplicates Z: 19 12.473 1.886 0.366 0.474 0.833 0.556 CB 1.406 19 residues pruned to eliminate duplicates Z: 9 6.982 1.719 0.486 0.484 0.750 0.625 CB 1.309 Z: 7 2.970 1.422 0.327 0.237 0.833 0.500 CA 1.046 Z: 7 4.717 1.511 0.553 0.276 0.833 0.500 CB 1.270 Z: 13 20.143 1.847 0.988 0.871 1.000 0.583 CB 1.155 13 residues pruned to eliminate duplicates Z: 19 23.800 2.127 0.812 0.608 0.944 0.611 CA 1.392 23 residues pruned to eliminate duplicates Z: 12 14.669 1.782 0.581 0.847 0.909 0.727 CA 1.283 12 residues pruned to eliminate duplicates Z: 7 7.790 1.691 0.451 0.801 1.000 0.667 CB 0.997 Z: 9 8.145 1.742 0.532 0.625 0.875 0.750 CB 1.096 9 residues pruned to eliminate duplicates Z: 15 14.811 1.941 0.479 0.773 1.000 0.857 CB 1.083 15 residues pruned to eliminate duplicates Z: 13 14.941 1.785 0.662 0.839 0.917 0.667 CB 1.185 13 residues pruned to eliminate duplicates Z: 16 8.930 1.896 0.515 0.280 0.867 0.667 CB 1.187 15 residues pruned to eliminate duplicates Z: 6 7.520 2.122 0.581 0.834 0.800 0.800 CB 0.939 6 residues pruned to eliminate duplicates Z: 15 19.716 1.938 0.595 0.820 0.929 0.500 CB 1.391 15 residues pruned to eliminate duplicates Z: 125 66.093 2.177 0.789 0.589 0.944 0.621 CB 1.483 125 residues pruned to eliminate duplicates Z: 6 3.853 1.319 0.403 0.777 0.800 0.800 N 0.911 6 residues pruned to eliminate duplicates Z: 28 24.914 2.029 0.790 0.401 0.963 0.704 CB 1.521 37 residues pruned to eliminate duplicates Z: 13 13.253 1.745 0.438 0.861 1.000 0.750 CB 1.120 13 residues pruned to eliminate duplicates Z: 13 10.741 1.673 0.377 0.795 1.000 0.417 CB 1.040 13 residues pruned to eliminate duplicates Z: 35 25.848 2.079 0.680 0.380 0.941 0.588 CA 1.532 35 residues pruned to eliminate duplicates Z: 54 43.559 2.081 0.942 0.547 0.943 0.566 CB 1.500 54 residues pruned to eliminate duplicates Z: 13 11.614 1.686 0.693 0.739 0.750 0.583 CB 1.264 13 residues pruned to eliminate duplicates Z: 31 22.506 1.949 0.825 0.463 0.800 0.533 CB 1.500 31 residues pruned to eliminate duplicates Z: 7 10.113 1.863 0.941 0.470 1.000 0.333 CA 1.176 Z: 10 15.701 1.892 0.732 0.857 0.889 0.667 CB 1.324 10 residues pruned to eliminate duplicates Z: 13 21.472 2.178 0.939 0.913 1.000 0.750 CB 1.039 13 residues pruned to eliminate duplicates Z: 16 23.832 1.912 0.935 0.928 0.933 0.667 CB 1.248 16 residues pruned to eliminate duplicates Z: 7 11.850 1.954 0.679 0.719 1.000 0.667 CB 1.209 7 residues pruned to eliminate duplicates Z: 14 13.849 1.627 0.564 0.877 1.000 0.769 CA 1.096 11 residues pruned to eliminate duplicates Z: 13 30.640 2.028 1.165 0.914 1.000 0.750 CA 1.426 13 residues pruned to eliminate duplicates Z: 10 7.761 1.838 0.375 0.553 0.778 0.556 CB 1.249 14 residues pruned to eliminate duplicates Z: 58 33.474 2.095 0.743 0.440 0.877 0.579 CB 1.473 58 residues pruned to eliminate duplicates Z: 7 5.395 1.742 0.175 0.466 0.833 0.833 N 1.337 7 residues pruned to eliminate duplicates Z: 45 39.189 2.087 1.034 0.683 0.886 0.386 CB 1.327 45 residues pruned to eliminate duplicates Z: 15 25.168 2.116 0.888 0.888 0.929 0.786 CB 1.306 15 residues pruned to eliminate duplicates Z: 13 24.149 2.015 0.921 0.873 1.000 0.833 CA 1.311 13 residues pruned to eliminate duplicates Z: 10 20.664 2.294 0.429 0.799 1.000 0.556 CA 1.618 10 residues pruned to eliminate duplicates Z: 7 5.106 1.589 0.547 0.407 0.833 0.667 CB 1.122 7 residues pruned to eliminate duplicates Z: 93 49.278 2.095 0.928 0.577 0.902 0.609 CB 1.309 93 residues pruned to eliminate duplicates Z: 20 14.703 1.851 0.549 0.603 0.895 0.684 CB 1.191 13 residues pruned to eliminate duplicates Z: 51 34.439 2.084 0.714 0.454 0.920 0.580 CB 1.552 51 residues pruned to eliminate duplicates Z: 72 34.421 2.073 0.609 0.495 0.930 0.577 CB 1.324 72 residues pruned to eliminate duplicates Z: 33 21.184 2.017 0.829 0.325 0.781 0.562 CA 1.575 33 residues pruned to eliminate duplicates Z: 6 2.692 1.454 0.290 0.406 0.800 0.600 N 0.885 Z: 12 17.596 1.761 0.715 0.906 1.000 0.818 CB 1.249 14 residues pruned to eliminate duplicates Z: 120 60.893 2.140 0.837 0.554 0.941 0.622 CB 1.431 120 residues pruned to eliminate duplicates Z: 15 12.809 1.722 0.714 0.704 0.857 0.571 CB 1.124 15 residues pruned to eliminate duplicates Z: 8 10.551 1.772 0.566 0.804 0.857 0.857 CB 1.286 8 residues pruned to eliminate duplicates Z: 6 6.024 1.738 -0.039 0.777 1.000 0.800 C 1.263 Z: 12 22.707 1.903 0.917 0.906 1.000 0.727 CB 1.335 12 residues pruned to eliminate duplicates Z: 15 18.846 1.938 0.713 0.918 1.000 0.714 CB 1.070 15 residues pruned to eliminate duplicates Z: 7 2.714 1.549 -0.155 0.543 0.833 0.667 CB 0.973 Z: 100 46.854 2.081 0.780 0.545 0.919 0.616 CB 1.324 100 residues pruned to eliminate duplicates Z: 36 39.591 2.103 0.942 0.682 0.971 0.743 CA 1.428 36 residues pruned to eliminate duplicates Z: 8 10.512 1.674 0.907 0.681 0.857 0.714 CA 1.230 8 residues pruned to eliminate duplicates Z: 7 2.156 1.432 0.090 0.500 0.833 0.667 CB 0.677 7 residues pruned to eliminate duplicates Z: 15 26.407 2.059 0.885 0.862 1.000 0.929 CB 1.335 15 residues pruned to eliminate duplicates Z: 44 28.363 2.105 0.732 0.415 0.860 0.535 CB 1.507 44 residues pruned to eliminate duplicates Z: 17 25.579 1.874 1.021 0.851 0.938 0.688 CB 1.333 17 residues pruned to eliminate duplicates Z: 13 15.567 2.122 0.291 0.752 0.917 0.750 CB 1.430 13 residues pruned to eliminate duplicates Z: 14 18.190 1.867 0.806 0.789 0.846 0.385 CB 1.372 14 residues pruned to eliminate duplicates Z: 10 10.598 1.814 0.320 0.821 1.000 0.667 CA 1.117 10 residues pruned to eliminate duplicates Z: 20 14.870 2.049 0.693 0.276 0.842 0.579 CB 1.504 20 residues pruned to eliminate duplicates Z: 15 10.797 1.702 0.238 0.651 1.000 0.857 CB 1.190 15 residues pruned to eliminate duplicates Z: 58 39.133 2.069 0.730 0.549 0.912 0.614 CB 1.514 58 residues pruned to eliminate duplicates 6 1.617 1.619 -0.136 0.605 0.600 0.400 CB 0.779 ? Z: 83 49.810 2.086 0.828 0.659 0.915 0.598 CB 1.361 83 residues pruned to eliminate duplicates Z: 11 14.207 1.845 0.464 0.888 1.000 0.900 CB 1.199 11 residues pruned to eliminate duplicates Z: 33 24.788 1.956 0.584 0.581 0.938 0.656 CB 1.396 33 residues pruned to eliminate duplicates Z: 11 18.033 1.792 1.046 0.829 1.000 0.700 CB 1.170 11 residues pruned to eliminate duplicates Z: 12 13.974 1.860 0.418 0.794 1.000 0.818 CA 1.235 12 residues pruned to eliminate duplicates Z: 35 33.902 2.123 0.805 0.704 0.941 0.735 CB 1.338 35 residues pruned to eliminate duplicates Z: 15 11.626 1.832 0.569 0.848 0.857 0.571 CB 0.936 15 residues pruned to eliminate duplicates Z: 6 2.834 1.639 -0.133 0.473 0.800 0.800 CB 1.146 Z: 6 6.634 1.471 1.043 0.543 1.000 0.800 O 0.947 Z: 12 16.491 1.766 1.081 0.774 0.909 0.545 CA 1.168 12 residues pruned to eliminate duplicates Z: 13 11.155 1.872 0.616 0.653 0.750 0.500 CB 1.231 13 residues pruned to eliminate duplicates Z: 13 16.756 1.776 0.698 0.862 0.917 0.583 CB 1.285 13 residues pruned to eliminate duplicates Z: 56 39.682 2.047 0.874 0.673 0.873 0.582 CB 1.362 42 residues pruned to eliminate duplicates Z: 14 16.716 1.720 0.517 0.872 1.000 0.692 CB 1.295 14 residues pruned to eliminate duplicates Z: 13 23.683 1.851 0.946 0.833 1.000 0.833 CB 1.424 13 residues pruned to eliminate duplicates Z: 12 17.820 2.181 0.592 0.779 0.909 0.545 CB 1.331 12 residues pruned to eliminate duplicates Z: 14 17.394 1.715 0.570 0.900 1.000 0.769 CB 1.280 14 residues pruned to eliminate duplicates Z: 9 8.995 1.566 0.776 0.594 0.875 0.750 N 1.194 Z: 7 10.867 2.085 0.201 0.845 1.000 0.833 CA 1.317 7 residues pruned to eliminate duplicates Z: 12 15.741 2.106 0.808 0.750 0.727 0.364 CB 1.371 12 residues pruned to eliminate duplicates Z: 23 9.952 1.712 0.154 0.535 0.909 0.636 CB 1.141 23 residues pruned to eliminate duplicates Z: 15 9.367 1.857 0.503 0.358 0.786 0.429 CB 1.331 15 residues pruned to eliminate duplicates Z: 13 26.340 1.946 1.063 0.927 1.000 1.000 CA 1.327 13 residues pruned to eliminate duplicates Z: 15 27.397 2.082 1.080 0.610 1.000 0.714 CA 1.523 15 residues pruned to eliminate duplicates Z: 10 3.314 1.591 -0.021 0.461 0.889 0.556 CB 0.830 Z: 7 5.107 1.624 0.101 0.677 1.000 0.667 CB 0.990 Z: 30 27.289 2.077 0.878 0.661 0.931 0.759 CB 1.202 30 residues pruned to eliminate duplicates Z: 14 14.712 2.028 0.352 0.675 1.000 0.615 CB 1.266 14 residues pruned to eliminate duplicates Z: 38 25.535 1.939 0.663 0.529 0.919 0.649 CA 1.378 59 residues pruned to eliminate duplicates Z: 11 11.455 1.674 0.536 0.902 1.000 1.000 CB 1.005 11 residues pruned to eliminate duplicates Z: 17 8.624 1.665 0.452 0.457 0.750 0.438 CA 1.243 17 residues pruned to eliminate duplicates Z: 52 39.597 2.091 0.895 0.681 0.961 0.588 CB 1.233 33 residues pruned to eliminate duplicates Z: 38 16.593 1.888 0.606 0.340 0.838 0.514 CB 1.279 38 residues pruned to eliminate duplicates Z: 14 17.996 2.011 0.851 0.662 0.923 0.692 CA 1.250 20 residues pruned to eliminate duplicates Z: 61 35.936 2.092 0.745 0.556 0.867 0.533 CB 1.388 61 residues pruned to eliminate duplicates Z: 10 9.104 1.806 0.371 0.774 0.889 0.667 CB 1.083 10 residues pruned to eliminate duplicates Z: 13 15.587 1.786 0.364 0.884 1.000 1.000 CB 1.335 13 residues pruned to eliminate duplicates Z: 29 22.401 2.019 0.720 0.383 0.893 0.536 CB 1.547 29 residues pruned to eliminate duplicates Z: 12 17.330 1.806 0.394 0.916 1.000 0.909 CA 1.466 11 residues pruned to eliminate duplicates Z: 6 4.443 1.412 0.044 0.705 1.000 0.600 N 1.119 Z: 18 22.972 1.896 0.900 0.856 0.941 0.765 CB 1.212 18 residues pruned to eliminate duplicates Z: 6 10.387 2.168 0.844 0.699 0.800 0.800 CB 1.212 6 residues pruned to eliminate duplicates Z: 9 10.754 1.995 0.162 0.883 0.875 0.875 CB 1.356 9 residues pruned to eliminate duplicates Z: 34 26.566 1.989 0.701 0.586 0.909 0.606 CB 1.385 34 residues pruned to eliminate duplicates Z: 9 13.051 1.876 0.708 0.695 0.875 0.750 CA 1.377 9 residues pruned to eliminate duplicates Z: 20 23.591 2.088 0.782 0.552 0.947 0.632 CA 1.460 20 residues pruned to eliminate duplicates Z: 9 4.270 1.671 0.567 0.321 0.750 0.500 CB 0.937 10 residues pruned to eliminate duplicates Z: 15 9.371 1.821 0.427 0.589 0.786 0.571 CB 1.126 15 residues pruned to eliminate duplicates Z: 45 34.832 2.103 0.846 0.463 0.932 0.523 CB 1.507 45 residues pruned to eliminate duplicates Z: 7 10.133 1.799 0.543 0.856 1.000 0.833 CB 1.099 7 residues pruned to eliminate duplicates Z: 20 22.994 2.106 0.688 0.564 0.947 0.632 CA 1.472 Z: 13 21.754 2.161 0.742 0.889 0.917 0.833 CB 1.310 13 residues pruned to eliminate duplicates Z: 11 18.794 1.894 0.653 0.906 1.000 0.900 CB 1.350 11 residues pruned to eliminate duplicates Z: 13 16.440 1.709 0.700 0.909 1.000 0.917 CB 1.159 12 residues pruned to eliminate duplicates Z: 22 11.742 1.860 0.358 0.381 0.905 0.286 CB 1.273 22 residues pruned to eliminate duplicates Z: 15 16.647 2.043 0.541 0.649 1.000 0.929 CB 1.230 15 residues pruned to eliminate duplicates Z: 56 33.875 2.076 0.845 0.420 0.855 0.545 CB 1.518 56 residues pruned to eliminate duplicates Z: 7 8.458 1.797 0.472 0.735 0.833 0.667 CB 1.269 7 residues pruned to eliminate duplicates Z: 14 10.541 1.883 0.704 0.296 0.846 0.462 CB 1.353 14 residues pruned to eliminate duplicates Z: 10 14.086 1.818 0.494 0.850 1.000 0.778 CA 1.281 10 residues pruned to eliminate duplicates Z: 11 12.895 1.714 0.506 0.912 1.000 1.000 CB 1.118 11 residues pruned to eliminate duplicates Z: 19 17.586 1.957 0.460 0.705 0.889 0.667 CB 1.355 19 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 2.189 1.762 0.398 0.243 0.429 0.286 CB 1.054 Z: 6 5.602 1.745 0.743 0.628 0.800 0.600 CB 0.913 6 residues pruned to eliminate duplicates Z: 6 8.198 1.882 0.751 0.417 0.800 0.800 CA 1.518 5 residues pruned to eliminate duplicates Z: 6 12.343 2.086 0.664 0.518 1.000 0.800 CB 1.562 Z: 11 17.150 1.902 0.660 0.862 0.900 0.500 CB 1.402 11 residues pruned to eliminate duplicates Z: 10 19.714 1.853 0.927 0.875 1.000 0.667 CB 1.338 16 residues pruned to eliminate duplicates Z: 11 16.467 1.920 0.635 0.846 1.000 0.600 CB 1.233 11 residues pruned to eliminate duplicates Z: 11 16.408 1.861 0.775 0.885 0.900 0.600 CB 1.261 11 residues pruned to eliminate duplicates Z: 14 11.492 1.878 0.612 0.633 0.846 0.462 CB 1.099 14 residues pruned to eliminate duplicates Z: 14 15.700 1.974 0.640 0.656 0.846 0.462 CB 1.376 11 residues pruned to eliminate duplicates Z: 11 15.434 1.871 0.817 0.866 0.900 0.500 CB 1.168 12 residues pruned to eliminate duplicates Z: 13 15.890 1.809 0.573 0.800 1.000 0.750 CB 1.239 12 residues pruned to eliminate duplicates Z: 11 18.329 1.865 0.682 0.847 1.000 0.700 CB 1.372 11 residues pruned to eliminate duplicates Z: 8 6.309 1.851 0.403 0.318 0.857 0.571 CB 1.309 7 residues pruned to eliminate duplicates Z: 8 4.443 1.299 0.726 0.545 0.857 0.857 N 0.836 8 residues pruned to eliminate duplicates Z: 12 7.743 1.613 0.794 0.439 0.818 0.545 CA 1.050 12 residues pruned to eliminate duplicates Z: 9 9.720 2.104 0.583 0.558 0.750 0.625 CB 1.300 9 residues pruned to eliminate duplicates Z: 111 57.649 2.099 0.817 0.619 0.918 0.636 CB 1.402 111 residues pruned to eliminate duplicates Z: 137 69.025 2.181 0.829 0.585 0.934 0.684 CB 1.465 137 residues pruned to eliminate duplicates Z: 22 36.206 2.185 1.105 0.569 1.000 0.714 CB 1.606 22 residues pruned to eliminate duplicates Z: 136 58.802 2.127 0.832 0.542 0.896 0.615 CB 1.390 136 residues pruned to eliminate duplicates Z: 72 49.035 2.152 0.835 0.624 0.915 0.648 CB 1.432 72 residues pruned to eliminate duplicates Z: 16 19.615 2.078 1.096 0.502 0.867 0.533 CA 1.340 16 residues pruned to eliminate duplicates Z: 26 25.068 2.048 0.964 0.554 0.840 0.560 CB 1.407 26 residues pruned to eliminate duplicates Z: 72 48.802 2.163 0.755 0.632 0.915 0.592 CB 1.472 72 residues pruned to eliminate duplicates Z: 21 31.401 2.158 1.089 0.531 0.950 0.650 CB 1.590 21 residues pruned to eliminate duplicates Z: 130 64.203 2.163 0.852 0.556 0.922 0.674 CB 1.448 130 residues pruned to eliminate duplicates Z: 107 57.975 2.130 0.826 0.650 0.925 0.613 CB 1.361 107 residues pruned to eliminate duplicates Z: 81 53.503 2.111 0.843 0.693 0.913 0.663 CB 1.413 81 residues pruned to eliminate duplicates Z: 22 32.299 2.146 0.980 0.607 1.000 0.857 CA 1.498 22 residues pruned to eliminate duplicates Z: 63 52.086 2.191 0.858 0.667 0.935 0.645 CB 1.488 63 residues pruned to eliminate duplicates Z: 14 29.472 2.273 1.012 0.583 1.000 0.538 CA 1.650 14 residues pruned to eliminate duplicates Z: 141 63.904 2.138 0.815 0.554 0.907 0.629 CB 1.456 141 residues pruned to eliminate duplicates Z: 73 52.919 2.184 0.768 0.633 0.944 0.667 CB 1.509 73 residues pruned to eliminate duplicates Z: 105 59.246 2.159 0.833 0.640 0.933 0.644 CB 1.381 105 residues pruned to eliminate duplicates Z: 107 59.065 2.130 0.837 0.635 0.943 0.670 CB 1.369 107 residues pruned to eliminate duplicates Z: 78 55.999 2.162 0.910 0.653 0.922 0.753 CB 1.453 78 residues pruned to eliminate duplicates Z: 136 62.462 2.117 0.766 0.564 0.956 0.593 CB 1.414 136 residues pruned to eliminate duplicates Z: 82 48.531 2.161 0.732 0.636 0.938 0.605 CB 1.352 82 residues pruned to eliminate duplicates Z: 129 64.295 2.164 0.797 0.573 0.922 0.648 CB 1.477 129 residues pruned to eliminate duplicates Z: 107 56.610 2.129 0.760 0.650 0.962 0.594 CB 1.327 107 residues pruned to eliminate duplicates Z: 84 45.399 2.062 0.780 0.610 0.867 0.627 CB 1.410 75 residues pruned to eliminate duplicates Z: 104 51.968 2.132 0.771 0.630 0.893 0.592 CB 1.343 104 residues pruned to eliminate duplicates Z: 104 54.570 2.130 0.745 0.613 0.932 0.621 CB 1.394 104 residues pruned to eliminate duplicates Z: 104 61.203 2.160 0.750 0.677 0.961 0.660 CB 1.410 104 residues pruned to eliminate duplicates Z: 134 59.341 2.128 0.793 0.556 0.917 0.609 CB 1.392 134 residues pruned to eliminate duplicates Z: 126 62.058 2.146 0.803 0.589 0.944 0.608 CB 1.396 126 residues pruned to eliminate duplicates Z: 106 60.729 2.157 0.846 0.634 0.933 0.648 CB 1.407 106 residues pruned to eliminate duplicates Z: 109 59.339 2.130 0.777 0.643 0.935 0.639 CB 1.411 109 residues pruned to eliminate duplicates Z: 107 54.947 2.114 0.795 0.629 0.925 0.604 CB 1.347 107 residues pruned to eliminate duplicates Z: 86 50.678 2.115 0.821 0.665 0.894 0.600 CB 1.369 86 residues pruned to eliminate duplicates Z: 76 51.496 2.163 0.825 0.647 0.920 0.627 CB 1.427 76 residues pruned to eliminate duplicates Z: 38 32.257 2.114 0.828 0.677 0.946 0.676 CB 1.232 38 residues pruned to eliminate duplicates Z: 115 58.527 2.168 0.793 0.573 0.921 0.579 CB 1.426 115 residues pruned to eliminate duplicates Z: 85 57.536 2.152 0.869 0.684 0.929 0.643 CB 1.420 85 residues pruned to eliminate duplicates Z: 40 32.804 2.001 0.923 0.670 0.923 0.487 CB 1.264 40 residues pruned to eliminate duplicates Z: 82 54.587 2.133 0.880 0.666 0.938 0.630 CB 1.383 82 residues pruned to eliminate duplicates Z: 47 29.341 2.054 0.738 0.668 0.848 0.543 CB 1.224 47 residues pruned to eliminate duplicates Z: 39 34.690 2.075 0.936 0.632 0.947 0.684 CB 1.307 39 residues pruned to eliminate duplicates Z: 102 51.782 2.127 0.824 0.568 0.911 0.624 CB 1.365 102 residues pruned to eliminate duplicates Z: 74 57.571 2.179 0.888 0.661 0.973 0.630 CB 1.450 74 residues pruned to eliminate duplicates Z: 85 52.591 2.146 0.774 0.676 0.929 0.643 CB 1.380 85 residues pruned to eliminate duplicates Z: 61 41.954 2.156 0.724 0.654 0.917 0.533 CB 1.378 61 residues pruned to eliminate duplicates Z: 117 56.044 2.139 0.803 0.562 0.897 0.621 CB 1.417 117 residues pruned to eliminate duplicates Z: 88 49.575 2.124 0.823 0.646 0.897 0.609 CB 1.336 88 residues pruned to eliminate duplicates Z: 104 49.052 2.091 0.829 0.538 0.903 0.602 CB 1.347 104 residues pruned to eliminate duplicates Z: 119 58.015 2.124 0.829 0.581 0.924 0.576 CB 1.377 119 residues pruned to eliminate duplicates Z: 78 51.851 2.134 0.867 0.677 0.896 0.545 CB 1.405 78 residues pruned to eliminate duplicates Z: 38 33.678 2.145 0.965 0.674 0.892 0.568 CB 1.255 38 residues pruned to eliminate duplicates Z: 136 65.142 2.159 0.835 0.572 0.926 0.630 CB 1.426 136 residues pruned to eliminate duplicates Z: 80 54.034 2.178 0.890 0.632 0.937 0.608 CB 1.393 80 residues pruned to eliminate duplicates Z: 136 59.852 2.100 0.794 0.563 0.919 0.637 CB 1.400 136 residues pruned to eliminate duplicates Z: 94 53.712 2.140 0.888 0.587 0.925 0.624 CB 1.371 94 residues pruned to eliminate duplicates Z: 71 43.080 2.096 0.835 0.630 0.929 0.614 CB 1.276 71 residues pruned to eliminate duplicates Z: 139 68.404 2.137 0.835 0.579 0.949 0.659 CB 1.450 139 residues pruned to eliminate duplicates Z: 67 53.885 2.143 0.837 0.676 0.970 0.682 CB 1.478 67 residues pruned to eliminate duplicates Z: 137 67.889 2.168 0.806 0.583 0.941 0.640 CB 1.459 137 residues pruned to eliminate duplicates Z: 137 70.565 2.153 0.863 0.582 0.971 0.618 CB 1.436 137 residues pruned to eliminate duplicates Z: 89 56.114 2.124 0.819 0.667 0.943 0.591 CB 1.406 89 residues pruned to eliminate duplicates Z: 115 61.406 2.174 0.748 0.583 0.956 0.544 CB 1.462 61 residues pruned to eliminate duplicates Z: 103 53.497 2.125 0.783 0.539 0.951 0.676 CB 1.415 103 residues pruned to eliminate duplicates Z: 9 5.536 1.817 0.559 0.357 0.750 0.500 CB 1.075 Z: 13 15.475 1.916 0.427 0.830 1.000 0.917 CB 1.228 13 residues pruned to eliminate duplicates Z: 72 38.240 2.096 0.770 0.602 0.887 0.648 CB 1.252 72 residues pruned to eliminate duplicates Z: 8 6.738 1.989 0.411 0.483 0.714 0.429 CB 1.293 8 residues pruned to eliminate duplicates Z: 139 68.410 2.147 0.853 0.574 0.928 0.623 CB 1.469 126 residues pruned to eliminate duplicates Z: 79 52.403 2.181 0.815 0.658 0.910 0.705 CB 1.422 79 residues pruned to eliminate duplicates Z: 49 33.720 2.076 0.873 0.696 0.875 0.708 CB 1.196 49 residues pruned to eliminate duplicates Z: 65 41.315 2.106 0.835 0.477 0.922 0.562 CB 1.484 65 residues pruned to eliminate duplicates Z: 98 58.093 2.152 0.838 0.637 0.948 0.598 CB 1.383 98 residues pruned to eliminate duplicates Z: 64 39.557 2.116 0.835 0.480 0.905 0.619 CB 1.448 64 residues pruned to eliminate duplicates Z: 69 44.307 2.093 0.824 0.668 0.926 0.706 CB 1.301 69 residues pruned to eliminate duplicates Z: 56 43.867 2.132 0.933 0.535 0.945 0.618 CB 1.467 56 residues pruned to eliminate duplicates Z: 66 41.518 2.104 0.827 0.485 0.938 0.615 CB 1.450 66 residues pruned to eliminate duplicates Z: 68 43.041 2.095 0.844 0.464 0.940 0.582 CB 1.502 65 residues pruned to eliminate duplicates Z: 14 18.487 1.932 0.873 0.774 0.923 0.462 CB 1.205 14 residues pruned to eliminate duplicates Z: 49 39.393 2.137 0.849 0.472 0.979 0.667 CB 1.512 49 residues pruned to eliminate duplicates Z: 64 43.510 2.134 0.880 0.476 0.952 0.603 CB 1.470 64 residues pruned to eliminate duplicates Z: 65 35.035 2.043 0.835 0.406 0.906 0.516 CB 1.422 65 residues pruned to eliminate duplicates Z: 49 36.724 2.099 0.962 0.433 0.896 0.500 CB 1.541 49 residues pruned to eliminate duplicates Z: 55 34.029 2.069 0.811 0.426 0.926 0.537 CB 1.442 55 residues pruned to eliminate duplicates Z: 53 33.765 2.127 0.789 0.422 0.904 0.577 CB 1.476 53 residues pruned to eliminate duplicates Z: 40 25.512 2.016 0.803 0.532 0.872 0.615 CB 1.249 40 residues pruned to eliminate duplicates Z: 57 39.316 2.108 0.867 0.516 0.929 0.536 CB 1.415 57 residues pruned to eliminate duplicates Z: 57 39.034 2.137 0.815 0.430 0.929 0.607 CB 1.557 57 residues pruned to eliminate duplicates Z: 53 34.366 2.116 0.816 0.397 0.904 0.596 CB 1.529 53 residues pruned to eliminate duplicates Z: 132 58.480 2.132 0.765 0.516 0.916 0.542 CB 1.459 132 residues pruned to eliminate duplicates Z: 54 35.104 2.141 0.832 0.388 0.887 0.566 CB 1.561 54 residues pruned to eliminate duplicates Z: 57 38.021 2.113 0.845 0.441 0.911 0.571 CB 1.521 62 residues pruned to eliminate duplicates Z: 12 10.631 1.795 0.410 0.734 0.909 0.636 CA 1.129 12 residues pruned to eliminate duplicates Z: 39 26.985 2.127 0.750 0.371 0.895 0.605 CB 1.508 39 residues pruned to eliminate duplicates Z: 41 28.725 2.100 0.833 0.356 0.900 0.525 CB 1.532 41 residues pruned to eliminate duplicates Z: 55 34.879 2.092 0.794 0.387 0.926 0.593 CB 1.540 55 residues pruned to eliminate duplicates Z: 51 39.539 2.169 0.849 0.404 0.980 0.480 CB 1.573 51 residues pruned to eliminate duplicates Z: 61 38.307 2.048 0.868 0.425 0.950 0.533 CB 1.472 61 residues pruned to eliminate duplicates Z: 53 35.385 2.142 0.827 0.397 0.923 0.577 CB 1.514 53 residues pruned to eliminate duplicates Z: 118 57.967 2.130 0.831 0.546 0.923 0.632 CB 1.424 118 residues pruned to eliminate duplicates Z: 59 34.911 2.092 0.841 0.422 0.879 0.552 CB 1.469 59 residues pruned to eliminate duplicates Z: 47 33.470 2.131 0.866 0.406 0.891 0.565 CB 1.537 47 residues pruned to eliminate duplicates Z: 36 23.603 2.087 0.788 0.318 0.857 0.486 CB 1.524 36 residues pruned to eliminate duplicates Z: 62 36.812 2.095 0.800 0.423 0.902 0.557 CB 1.501 62 residues pruned to eliminate duplicates Z: 35 23.725 2.101 0.758 0.299 0.824 0.529 CB 1.674 35 residues pruned to eliminate duplicates Z: 32 21.473 2.102 0.703 0.292 0.839 0.452 CB 1.621 32 residues pruned to eliminate duplicates Z: 32 22.322 2.129 0.736 0.358 0.774 0.452 CB 1.633 32 residues pruned to eliminate duplicates Z: 58 30.075 2.036 0.740 0.399 0.877 0.561 CB 1.426 58 residues pruned to eliminate duplicates Z: 61 37.911 2.105 0.780 0.438 0.933 0.517 CB 1.493 61 residues pruned to eliminate duplicates Z: 67 40.801 2.088 0.778 0.474 0.955 0.561 CB 1.455 62 residues pruned to eliminate duplicates Z: 7 6.819 1.839 0.534 0.315 1.000 0.333 CA 1.210 7 residues pruned to eliminate duplicates Z: 71 42.144 2.094 0.867 0.463 0.914 0.600 CB 1.464 71 residues pruned to eliminate duplicates Z: 110 56.905 2.137 0.754 0.549 0.936 0.587 CB 1.482 115 residues pruned to eliminate duplicates Z: 7 4.383 1.750 0.173 0.353 0.833 0.667 CA 1.226 7 residues pruned to eliminate duplicates Z: 55 46.698 2.135 0.969 0.516 0.981 0.648 CB 1.517 55 residues pruned to eliminate duplicates Z: 58 37.166 2.134 0.775 0.404 0.947 0.526 CB 1.518 58 residues pruned to eliminate duplicates Z: 64 41.057 2.124 0.818 0.488 0.889 0.603 CB 1.525 64 residues pruned to eliminate duplicates Z: 53 32.590 2.065 0.871 0.378 0.885 0.481 CB 1.506 53 residues pruned to eliminate duplicates Z: 33 27.678 2.180 0.843 0.388 0.812 0.562 CB 1.687 33 residues pruned to eliminate duplicates Z: 53 37.053 2.130 0.876 0.419 0.904 0.558 CB 1.547 53 residues pruned to eliminate duplicates Z: 33 24.833 2.137 0.809 0.325 0.844 0.469 CB 1.631 33 residues pruned to eliminate duplicates Z: 60 38.565 2.092 0.873 0.413 0.932 0.576 CB 1.506 60 residues pruned to eliminate duplicates Z: 64 42.276 2.098 0.870 0.486 0.921 0.540 CB 1.495 64 residues pruned to eliminate duplicates Z: 65 41.801 2.081 0.876 0.480 0.938 0.547 CB 1.457 65 residues pruned to eliminate duplicates Z: 55 33.103 2.115 0.795 0.400 0.889 0.556 CB 1.483 55 residues pruned to eliminate duplicates Z: 34 28.135 2.135 0.904 0.371 0.848 0.545 CB 1.630 34 residues pruned to eliminate duplicates Z: 53 36.494 2.146 0.810 0.430 0.904 0.558 CB 1.549 53 residues pruned to eliminate duplicates Z: 68 43.224 2.117 0.821 0.487 0.940 0.507 CB 1.476 68 residues pruned to eliminate duplicates Z: 33 27.788 2.183 0.789 0.400 0.844 0.531 CB 1.657 33 residues pruned to eliminate duplicates Z: 115 51.853 2.127 0.742 0.513 0.895 0.605 CB 1.447 115 residues pruned to eliminate duplicates Z: 20 25.520 2.101 0.906 0.547 0.895 0.632 CA 1.562 20 residues pruned to eliminate duplicates Z: 21 25.193 2.020 0.809 0.560 0.950 0.500 CA 1.531 21 residues pruned to eliminate duplicates Z: 14 19.173 1.979 0.835 0.677 0.846 0.692 CA 1.471 14 residues pruned to eliminate duplicates Z: 26 25.992 2.043 0.857 0.525 0.880 0.640 CA 1.520 25 residues pruned to eliminate duplicates Z: 13 17.170 1.885 0.703 0.766 0.917 0.583 CA 1.330 13 residues pruned to eliminate duplicates Z: 26 18.925 1.897 0.647 0.492 0.880 0.440 CA 1.387 26 residues pruned to eliminate duplicates Z: 22 23.219 2.044 0.817 0.557 0.905 0.571 CA 1.427 22 residues pruned to eliminate duplicates Z: 26 21.346 2.034 0.678 0.520 0.840 0.560 CA 1.460 26 residues pruned to eliminate duplicates Z: 26 19.885 2.008 0.732 0.507 0.800 0.560 CA 1.420 26 residues pruned to eliminate duplicates Z: 43 22.638 1.860 0.694 0.519 0.833 0.548 CB 1.305 43 residues pruned to eliminate duplicates Z: 26 15.941 1.865 0.720 0.432 0.880 0.560 CA 1.212 26 residues pruned to eliminate duplicates Z: 26 20.418 1.977 0.689 0.520 0.880 0.520 CA 1.363 26 residues pruned to eliminate duplicates Z: 13 20.615 2.046 0.696 0.702 1.000 0.833 CA 1.427 13 residues pruned to eliminate duplicates Z: 33 18.142 1.935 0.763 0.448 0.750 0.531 CB 1.323 33 residues pruned to eliminate duplicates Z: 26 24.725 2.014 0.799 0.555 0.920 0.480 CA 1.406 26 residues pruned to eliminate duplicates Z: 19 17.916 1.949 0.611 0.489 0.944 0.611 CA 1.441 19 residues pruned to eliminate duplicates Z: 26 22.920 2.016 0.746 0.505 0.880 0.640 CA 1.472 26 residues pruned to eliminate duplicates Z: 25 25.681 2.057 0.839 0.552 0.917 0.625 CA 1.437 25 residues pruned to eliminate duplicates Z: 10 18.117 2.221 0.376 0.739 1.000 0.556 CA 1.596 10 residues pruned to eliminate duplicates Z: 39 28.443 2.049 0.658 0.476 0.947 0.447 CB 1.470 37 residues pruned to eliminate duplicates Z: 12 19.030 2.145 0.460 0.836 1.000 0.727 CA 1.371 12 residues pruned to eliminate duplicates Z: 39 25.968 2.008 0.635 0.489 0.895 0.658 CB 1.451 39 residues pruned to eliminate duplicates Z: 40 25.484 2.047 0.548 0.516 0.923 0.590 CB 1.374 40 residues pruned to eliminate duplicates Z: 37 26.273 2.049 0.692 0.502 0.917 0.639 CB 1.376 37 residues pruned to eliminate duplicates Z: 41 30.676 2.055 0.745 0.503 0.925 0.600 CB 1.458 41 residues pruned to eliminate duplicates Z: 14 17.413 2.138 0.663 0.603 0.846 0.538 CB 1.456 14 residues pruned to eliminate duplicates Z: 15 17.562 2.043 0.837 0.561 0.857 0.429 CB 1.375 15 residues pruned to eliminate duplicates Z: 14 21.257 1.961 1.027 0.775 0.846 0.615 CB 1.375 14 residues pruned to eliminate duplicates Z: 13 27.665 2.128 0.959 0.808 0.917 0.667 CB 1.597 13 residues pruned to eliminate duplicates Z: 46 46.679 2.088 1.108 0.669 0.978 0.644 CB 1.383 46 residues pruned to eliminate duplicates Z: 56 47.921 2.122 0.995 0.695 0.964 0.655 CB 1.325 56 residues pruned to eliminate duplicates Z: 36 40.304 2.074 1.139 0.652 0.971 0.657 CB 1.372 36 residues pruned to eliminate duplicates Z: 43 49.110 2.202 1.093 0.766 0.952 0.667 CB 1.364 43 residues pruned to eliminate duplicates Z: 40 37.571 2.020 0.986 0.646 0.923 0.667 CB 1.419 40 residues pruned to eliminate duplicates Z: 121 58.253 2.092 0.852 0.560 0.892 0.492 CB 1.452 121 residues pruned to eliminate duplicates Z: 46 46.574 2.204 0.940 0.726 0.956 0.622 CB 1.385 46 residues pruned to eliminate duplicates Z: 34 40.674 2.131 1.106 0.708 0.970 0.727 CB 1.347 34 residues pruned to eliminate duplicates Z: 49 42.272 2.140 0.941 0.701 0.938 0.646 CB 1.305 49 residues pruned to eliminate duplicates Z: 49 42.831 2.109 1.154 0.664 0.896 0.479 CB 1.304 49 residues pruned to eliminate duplicates Z: 33 45.215 2.180 1.296 0.704 0.938 0.656 CB 1.415 33 residues pruned to eliminate duplicates Z: 57 49.166 2.131 0.927 0.722 0.946 0.571 CB 1.383 51 residues pruned to eliminate duplicates Z: 12 19.795 2.112 1.012 0.654 0.818 0.636 CA 1.487 13 residues pruned to eliminate duplicates Z: 13 12.596 1.810 0.572 0.729 0.833 0.750 CA 1.248 13 residues pruned to eliminate duplicates Z: 8 18.810 2.247 0.649 0.915 1.000 1.000 CA 1.356 8 residues pruned to eliminate duplicates Z: 20 17.753 2.116 0.431 0.507 1.000 0.684 CA 1.335 14 residues pruned to eliminate duplicates Z: 11 19.257 2.152 0.715 0.884 1.000 0.800 CA 1.193 32 residues pruned to eliminate duplicates Z: 62 49.542 2.142 0.900 0.687 0.951 0.590 CB 1.381 56 residues pruned to eliminate duplicates Z: 8 27.601 2.351 1.012 0.898 1.000 1.000 CA 1.577 8 residues pruned to eliminate duplicates Z: 21 17.451 2.018 0.573 0.488 0.900 0.550 CA 1.382 21 residues pruned to eliminate duplicates Z: 29 24.974 2.154 0.624 0.642 0.893 0.500 CB 1.323 29 residues pruned to eliminate duplicates Z: 58 48.804 2.174 0.880 0.653 0.947 0.632 CB 1.448 58 residues pruned to eliminate duplicates Z: 60 48.133 2.179 0.774 0.692 0.915 0.593 CB 1.486 60 residues pruned to eliminate duplicates Z: 63 42.474 2.118 0.867 0.653 0.871 0.532 CB 1.358 63 residues pruned to eliminate duplicates Z: 27 15.946 1.920 0.534 0.622 0.808 0.577 CB 1.172 27 residues pruned to eliminate duplicates Z: 60 37.936 2.110 0.810 0.588 0.864 0.559 CB 1.375 60 residues pruned to eliminate duplicates Z: 48 34.901 2.109 0.846 0.699 0.872 0.532 CB 1.250 48 residues pruned to eliminate duplicates Z: 30 14.971 1.900 0.601 0.506 0.793 0.517 CB 1.145 30 residues pruned to eliminate duplicates Z: 48 39.897 2.144 0.824 0.726 0.915 0.574 CB 1.327 48 residues pruned to eliminate duplicates Z: 78 38.221 1.958 0.804 0.614 0.857 0.532 CB 1.292 78 residues pruned to eliminate duplicates Z: 16 17.299 2.090 0.467 0.742 0.933 0.467 CB 1.256 Z: 15 21.830 1.958 0.839 0.935 0.929 0.786 CB 1.216 15 residues pruned to eliminate duplicates Z: 46 43.800 2.200 0.825 0.729 0.911 0.711 CB 1.452 46 residues pruned to eliminate duplicates Z: 23 18.760 2.059 0.471 0.645 0.909 0.409 CB 1.269 39 residues pruned to eliminate duplicates Z: 48 21.919 1.884 0.620 0.452 0.809 0.426 CB 1.361 48 residues pruned to eliminate duplicates Z: 44 44.032 2.149 0.966 0.726 0.977 0.744 CB 1.327 44 residues pruned to eliminate duplicates Z: 26 20.085 2.060 0.717 0.627 0.840 0.640 CB 1.199 26 residues pruned to eliminate duplicates Z: 46 45.934 2.187 1.001 0.745 0.933 0.578 CB 1.346 46 residues pruned to eliminate duplicates Z: 90 49.253 2.041 0.805 0.648 0.910 0.596 CB 1.356 90 residues pruned to eliminate duplicates Z: 122 49.241 2.034 0.752 0.522 0.876 0.512 CB 1.403 122 residues pruned to eliminate duplicates Z: 47 49.229 2.176 1.122 0.736 0.957 0.609 CB 1.330 47 residues pruned to eliminate duplicates Z: 81 53.517 2.092 0.869 0.677 0.925 0.550 CB 1.406 81 residues pruned to eliminate duplicates Z: 33 40.366 2.182 1.052 0.725 0.906 0.594 CB 1.435 33 residues pruned to eliminate duplicates Z: 85 49.200 2.083 0.802 0.670 0.905 0.607 CB 1.352 85 residues pruned to eliminate duplicates Z: 53 38.386 2.088 0.830 0.698 0.885 0.615 CB 1.314 53 residues pruned to eliminate duplicates Z: 33 38.047 2.204 0.950 0.679 0.938 0.688 CB 1.416 33 residues pruned to eliminate duplicates Z: 48 41.841 2.165 0.896 0.700 0.915 0.553 CB 1.354 48 residues pruned to eliminate duplicates Z: 32 48.584 2.207 1.139 0.761 1.000 0.645 CB 1.466 32 residues pruned to eliminate duplicates Z: 98 53.002 2.084 0.848 0.549 0.918 0.515 CB 1.452 98 residues pruned to eliminate duplicates Z: 41 39.583 2.045 1.031 0.635 0.900 0.600 CB 1.475 41 residues pruned to eliminate duplicates Z: 53 50.468 2.163 1.029 0.718 0.885 0.558 CB 1.479 53 residues pruned to eliminate duplicates Z: 38 38.823 2.086 1.001 0.680 0.946 0.622 CB 1.370 38 residues pruned to eliminate duplicates Z: 98 54.490 2.084 0.833 0.564 0.918 0.577 CB 1.483 98 residues pruned to eliminate duplicates Z: 12 20.481 2.256 0.639 0.750 0.909 0.818 CB 1.469 12 residues pruned to eliminate duplicates Z: 14 20.217 2.112 0.537 0.714 1.000 0.769 CB 1.422 14 residues pruned to eliminate duplicates Z: 10 23.656 2.193 0.881 0.793 1.000 0.889 CA 1.478 10 residues pruned to eliminate duplicates Z: 14 16.201 2.112 0.755 0.664 0.846 0.615 CB 1.231 14 residues pruned to eliminate duplicates Z: 14 13.776 1.957 0.720 0.629 0.846 0.538 CB 1.188 14 residues pruned to eliminate duplicates Z: 12 19.943 2.249 0.624 0.734 0.909 0.727 CB 1.468 12 residues pruned to eliminate duplicates Z: 14 15.542 2.032 0.432 0.688 0.923 0.615 CA 1.351 14 residues pruned to eliminate duplicates Z: 14 19.463 2.129 0.530 0.746 0.923 0.538 CB 1.440 14 residues pruned to eliminate duplicates Z: 14 15.242 2.090 0.425 0.729 0.923 0.615 CB 1.251 14 residues pruned to eliminate duplicates Z: 25 8.933 1.569 0.219 0.481 0.875 0.500 CB 1.111 14 residues pruned to eliminate duplicates Z: 11 12.965 1.804 0.669 0.878 0.900 0.800 CB 1.098 11 residues pruned to eliminate duplicates Z: 13 11.821 1.837 0.449 0.705 0.917 0.667 CB 1.161 13 residues pruned to eliminate duplicates Z: 16 13.853 1.599 0.800 0.739 1.000 0.667 CB 1.003 11 residues pruned to eliminate duplicates Z: 12 15.274 1.726 0.607 0.863 1.000 0.727 CA 1.218 12 residues pruned to eliminate duplicates Z: 11 15.496 1.920 0.633 0.844 0.900 0.600 CB 1.292 11 residues pruned to eliminate duplicates Z: 18 13.045 1.817 0.403 0.579 0.941 0.647 CB 1.222 18 residues pruned to eliminate duplicates Z: 61 34.570 2.078 0.692 0.478 0.867 0.533 CB 1.497 61 residues pruned to eliminate duplicates Z: 15 17.249 1.858 0.769 0.669 0.929 0.571 CB 1.292 15 residues pruned to eliminate duplicates Z: 32 35.508 2.068 0.894 0.654 0.968 0.516 CB 1.458 32 residues pruned to eliminate duplicates Z: 30 29.241 1.991 0.870 0.613 0.897 0.586 CB 1.461 30 residues pruned to eliminate duplicates Z: 33 32.042 2.053 0.805 0.644 0.938 0.562 CB 1.425 33 residues pruned to eliminate duplicates Z: 34 30.611 2.005 0.857 0.655 0.939 0.485 CB 1.319 34 residues pruned to eliminate duplicates Z: 62 40.302 2.070 0.814 0.494 0.934 0.459 CB 1.479 62 residues pruned to eliminate duplicates Z: 29 26.592 2.033 0.756 0.677 0.893 0.571 CB 1.339 29 residues pruned to eliminate duplicates Z: 62 35.996 2.063 0.815 0.486 0.869 0.557 CB 1.437 62 residues pruned to eliminate duplicates Z: 29 28.387 2.081 0.719 0.675 0.893 0.500 CB 1.430 29 residues pruned to eliminate duplicates Z: 28 32.191 2.075 0.866 0.692 0.963 0.519 CB 1.393 28 residues pruned to eliminate duplicates Z: 48 31.427 2.117 0.774 0.407 0.872 0.511 CB 1.542 48 residues pruned to eliminate duplicates Z: 54 42.408 2.087 0.985 0.521 0.943 0.604 CB 1.460 54 residues pruned to eliminate duplicates Z: 94 56.216 2.071 0.805 0.651 0.968 0.570 CB 1.400 94 residues pruned to eliminate duplicates Z: 29 21.407 1.880 0.648 0.508 0.929 0.643 CB 1.395 29 residues pruned to eliminate duplicates Z: 60 32.648 2.046 0.796 0.446 0.898 0.492 CB 1.361 60 residues pruned to eliminate duplicates Z: 92 52.526 2.065 0.903 0.578 0.923 0.495 CB 1.408 97 residues pruned to eliminate duplicates Z: 6 2.973 1.480 0.186 0.381 1.000 0.600 CA 0.860 6 residues pruned to eliminate duplicates Z: 51 32.557 2.036 0.752 0.406 0.920 0.480 CB 1.549 51 residues pruned to eliminate duplicates Z: 27 20.855 1.966 0.639 0.519 0.885 0.615 CB 1.408 27 residues pruned to eliminate duplicates Z: 29 29.812 2.048 1.025 0.636 0.857 0.607 CB 1.396 29 residues pruned to eliminate duplicates Z: 57 34.530 2.074 0.830 0.452 0.839 0.482 CB 1.522 57 residues pruned to eliminate duplicates Z: 31 25.589 1.995 0.536 0.585 0.967 0.633 CB 1.453 31 residues pruned to eliminate duplicates Z: 59 40.976 2.068 0.856 0.514 0.897 0.466 CB 1.542 59 residues pruned to eliminate duplicates Z: 31 24.450 2.073 0.859 0.396 0.867 0.533 CB 1.491 31 residues pruned to eliminate duplicates Z: 36 25.952 2.077 0.704 0.402 0.857 0.543 CB 1.603 36 residues pruned to eliminate duplicates Z: 49 33.668 2.083 0.719 0.444 0.917 0.500 CB 1.569 49 residues pruned to eliminate duplicates Z: 112 59.058 2.070 0.841 0.580 0.937 0.622 CB 1.454 112 residues pruned to eliminate duplicates Z: 49 32.256 2.087 0.795 0.431 0.896 0.583 CB 1.490 49 residues pruned to eliminate duplicates Z: 35 25.291 2.092 0.712 0.379 0.882 0.471 CB 1.561 35 residues pruned to eliminate duplicates Z: 59 40.905 2.059 0.853 0.504 0.948 0.603 CB 1.478 59 residues pruned to eliminate duplicates Z: 53 37.913 2.078 0.789 0.476 0.962 0.577 CB 1.507 53 residues pruned to eliminate duplicates Z: 28 24.918 2.125 0.907 0.351 0.889 0.519 CB 1.566 28 residues pruned to eliminate duplicates Z: 61 39.483 2.040 0.813 0.505 0.933 0.517 CB 1.470 61 residues pruned to eliminate duplicates Z: 59 42.919 2.092 0.844 0.516 0.948 0.569 CB 1.517 59 residues pruned to eliminate duplicates Z: 126 56.220 2.074 0.788 0.557 0.912 0.536 CB 1.407 126 residues pruned to eliminate duplicates Z: 58 39.194 2.065 0.797 0.504 0.930 0.561 CB 1.498 58 residues pruned to eliminate duplicates Z: 60 43.373 2.090 0.878 0.528 0.932 0.610 CB 1.501 60 residues pruned to eliminate duplicates Z: 43 35.649 2.133 0.848 0.444 0.952 0.500 CB 1.552 43 residues pruned to eliminate duplicates Z: 109 57.989 2.104 0.856 0.606 0.907 0.602 CB 1.424 109 residues pruned to eliminate duplicates Z: 59 41.585 2.100 0.754 0.496 0.966 0.569 CB 1.542 59 residues pruned to eliminate duplicates Z: 35 23.836 2.061 0.672 0.393 0.882 0.529 CB 1.506 35 residues pruned to eliminate duplicates Z: 44 36.695 2.123 0.850 0.468 0.953 0.535 CB 1.543 44 residues pruned to eliminate duplicates Z: 48 34.096 2.117 0.827 0.424 0.915 0.468 CB 1.522 48 residues pruned to eliminate duplicates Z: 25 24.118 2.150 0.944 0.366 0.875 0.500 CB 1.555 25 residues pruned to eliminate duplicates Z: 65 41.106 2.081 0.795 0.473 0.906 0.438 CB 1.561 65 residues pruned to eliminate duplicates Z: 59 37.935 2.070 0.809 0.507 0.914 0.466 CB 1.446 59 residues pruned to eliminate duplicates Z: 30 25.462 2.059 0.707 0.423 0.966 0.552 CB 1.510 30 residues pruned to eliminate duplicates Z: 112 56.423 2.076 0.850 0.582 0.910 0.595 CB 1.417 112 residues pruned to eliminate duplicates Z: 99 53.607 2.070 0.870 0.562 0.929 0.592 CB 1.419 99 residues pruned to eliminate duplicates Z: 35 23.377 2.088 0.832 0.400 0.765 0.412 CB 1.524 35 residues pruned to eliminate duplicates Z: 38 22.478 2.017 0.704 0.380 0.811 0.486 CB 1.508 38 residues pruned to eliminate duplicates Z: 47 34.041 2.129 0.835 0.456 0.891 0.500 CB 1.508 47 residues pruned to eliminate duplicates Z: 37 25.468 2.085 0.745 0.359 0.861 0.528 CB 1.577 37 residues pruned to eliminate duplicates Z: 49 39.614 2.135 0.847 0.477 0.917 0.500 CB 1.620 49 residues pruned to eliminate duplicates Z: 21 22.425 2.125 0.538 0.521 1.000 0.500 CA 1.502 21 residues pruned to eliminate duplicates Z: 7 3.167 1.464 0.927 0.305 0.667 0.500 CA 0.854 7 residues pruned to eliminate duplicates Z: 21 22.912 2.122 0.767 0.540 0.850 0.700 CA 1.546 20 residues pruned to eliminate duplicates 6 1.428 1.411 1.085 0.271 0.600 0.200 CB 0.469 ? Z: 14 17.617 2.094 0.530 0.671 0.846 0.615 CA 1.539 14 residues pruned to eliminate duplicates Z: 20 23.773 2.117 0.715 0.507 1.000 0.684 CB 1.491 21 residues pruned to eliminate duplicates Z: 12 20.394 2.069 0.641 0.843 1.000 0.636 CA 1.348 14 residues pruned to eliminate duplicates Z: 13 18.365 1.970 0.666 0.789 1.000 0.583 CA 1.253 13 residues pruned to eliminate duplicates Z: 21 21.067 2.003 0.902 0.460 0.900 0.450 CB 1.431 19 residues pruned to eliminate duplicates Z: 13 17.328 1.952 0.631 0.790 1.000 0.500 CA 1.218 13 residues pruned to eliminate duplicates Z: 20 20.733 2.104 0.643 0.501 0.895 0.474 CB 1.536 20 residues pruned to eliminate duplicates Z: 23 23.019 2.144 0.727 0.491 0.864 0.500 CB 1.548 23 residues pruned to eliminate duplicates Z: 20 24.873 2.150 0.806 0.577 0.895 0.579 CA 1.524 20 residues pruned to eliminate duplicates Z: 20 19.123 2.078 0.613 0.497 0.842 0.526 CB 1.559 20 residues pruned to eliminate duplicates Z: 26 25.913 2.135 0.620 0.526 0.920 0.520 CB 1.587 26 residues pruned to eliminate duplicates Z: 33 28.106 2.023 0.648 0.598 0.906 0.656 CB 1.498 33 residues pruned to eliminate duplicates Z: 33 27.351 2.021 0.542 0.567 0.938 0.531 CB 1.551 33 residues pruned to eliminate duplicates Z: 33 30.866 2.029 0.685 0.574 0.969 0.625 CB 1.533 33 residues pruned to eliminate duplicates Z: 30 28.530 2.030 0.642 0.633 0.966 0.586 CB 1.453 30 residues pruned to eliminate duplicates Z: 31 31.846 2.057 0.833 0.580 0.967 0.533 CB 1.477 31 residues pruned to eliminate duplicates Z: 30 29.426 2.095 0.712 0.598 0.897 0.586 CB 1.549 30 residues pruned to eliminate duplicates Z: 31 26.670 2.040 0.629 0.629 0.900 0.567 CB 1.442 31 residues pruned to eliminate duplicates Z: 33 28.835 2.007 0.699 0.594 0.938 0.594 CB 1.457 33 residues pruned to eliminate duplicates Z: 31 28.069 2.021 0.688 0.556 0.933 0.500 CB 1.524 31 residues pruned to eliminate duplicates Z: 33 28.211 1.999 0.736 0.560 0.906 0.531 CB 1.496 33 residues pruned to eliminate duplicates Z: 30 29.523 2.041 0.744 0.613 0.931 0.483 CB 1.486 33 residues pruned to eliminate duplicates Z: 12 30.116 2.172 1.046 0.743 1.000 0.636 CA 1.644 12 residues pruned to eliminate duplicates Z: 31 29.494 2.046 0.651 0.614 0.967 0.600 CB 1.480 31 residues pruned to eliminate duplicates Z: 19 21.641 2.052 0.536 0.620 0.944 0.722 CA 1.530 19 residues pruned to eliminate duplicates Z: 33 27.682 2.015 0.553 0.580 0.969 0.531 CB 1.494 33 residues pruned to eliminate duplicates Z: 32 26.447 2.058 0.500 0.568 0.935 0.613 CB 1.541 32 residues pruned to eliminate duplicates Z: 32 31.968 2.050 0.763 0.593 0.968 0.548 CB 1.501 29 residues pruned to eliminate duplicates Z: 12 15.934 1.962 0.476 0.706 1.000 0.727 CB 1.376 12 residues pruned to eliminate duplicates Z: 34 26.809 1.976 0.620 0.541 0.909 0.636 CB 1.541 34 residues pruned to eliminate duplicates Z: 38 28.264 1.969 0.614 0.567 0.919 0.676 CB 1.491 38 residues pruned to eliminate duplicates Z: 33 28.397 2.024 0.587 0.583 0.938 0.500 CA 1.539 33 residues pruned to eliminate duplicates Z: 21 15.258 1.884 0.509 0.499 0.850 0.600 CB 1.413 21 residues pruned to eliminate duplicates Z: 30 32.348 2.079 0.772 0.600 0.966 0.483 CB 1.535 30 residues pruned to eliminate duplicates Z: 32 29.382 2.045 0.665 0.584 0.935 0.581 CB 1.529 32 residues pruned to eliminate duplicates Z: 32 32.396 2.038 0.858 0.600 0.935 0.645 CB 1.493 32 residues pruned to eliminate duplicates Z: 14 14.417 1.620 0.682 0.895 1.000 0.923 CB 1.052 14 residues pruned to eliminate duplicates Z: 36 28.210 1.973 0.658 0.575 0.971 0.514 CB 1.397 36 residues pruned to eliminate duplicates Z: 33 31.777 2.022 0.784 0.606 0.938 0.500 CB 1.501 33 residues pruned to eliminate duplicates Z: 33 32.860 2.035 0.768 0.597 0.938 0.562 CB 1.570 33 residues pruned to eliminate duplicates 373 residues left after pruning, divided into chains as follows: A: 6 B: 13 C: 15 D: 86 E: 48 F: 23 G: 6 H: 123 I: 19 J: 34 CC for partial structure against native data = 37.96 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.468, Connect. = 0.694 for dens.mod. cycle 1 = 0.300, Contrast = 0.538, Connect. = 0.722 for dens.mod. cycle 2 = 0.300, Contrast = 0.633, Connect. = 0.756 for dens.mod. cycle 3 = 0.300, Contrast = 0.640, Connect. = 0.757 for dens.mod. cycle 4 = 0.300, Contrast = 0.648, Connect. = 0.760 for dens.mod. cycle 5 = 0.300, Contrast = 0.652, Connect. = 0.762 for dens.mod. cycle 6 = 0.300, Contrast = 0.655, Connect. = 0.763 for dens.mod. cycle 7 = 0.300, Contrast = 0.657, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.658, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.659, Connect. = 0.766 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2421 peaks > 0.5 sigma used to seed fragment search Space for about 606 unique residues taking solvent into account 548 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 28.859 2.175 0.575 0.895 1.000 0.714 CA 1.615 B: 14 30.074 2.244 0.580 0.902 1.000 0.846 CA 1.678 14 residues pruned to eliminate duplicates C: 15 25.933 2.185 0.510 0.875 0.929 0.786 CA 1.645 15 residues pruned to eliminate duplicates D: 6 13.468 2.309 0.495 0.791 1.000 0.600 CA 1.351 6 residues pruned to eliminate duplicates E: 16 19.856 1.996 0.533 0.827 0.867 0.667 CA 1.457 16 residues pruned to eliminate duplicates F: 12 20.505 2.079 0.721 0.874 1.000 0.636 CA 1.258 G: 10 26.808 2.311 0.828 0.856 1.000 0.667 CA 1.560 12 residues pruned to eliminate duplicates H: 10 18.828 2.276 0.667 0.803 0.889 0.889 CA 1.427 I: 14 21.760 2.225 1.057 0.928 0.923 0.846 CB 1.000 J: 14 25.199 2.185 0.983 0.914 1.000 0.692 CB 1.141 14 residues pruned to eliminate duplicates K: 16 22.729 1.998 0.639 0.802 0.933 0.667 CB 1.474 L: 81 46.157 2.084 0.640 0.644 0.950 0.588 CB 1.389 M: 15 24.437 2.163 0.927 0.900 0.857 0.571 CB 1.305 15 residues pruned to eliminate duplicates N: 13 37.322 2.269 0.877 0.885 1.000 0.667 CA 1.827 15 residues pruned to eliminate duplicates O: 15 12.819 2.104 0.711 0.820 1.000 0.643 CB 0.721 15 residues pruned to eliminate duplicates P: 12 18.939 2.109 0.463 0.821 1.000 0.545 CA 1.401 Q: 25 21.272 2.120 0.735 0.340 0.833 0.542 CA 1.687 R: 17 36.754 2.028 1.260 0.875 1.000 0.625 CA 1.459 17 residues pruned to eliminate duplicates S: 14 30.854 2.252 0.556 0.897 1.000 0.692 CA 1.748 14 residues pruned to eliminate duplicates T: 14 23.117 2.198 0.714 0.844 0.923 0.538 CB 1.371 14 residues pruned to eliminate duplicates U: 60 35.980 2.113 0.747 0.397 0.915 0.542 CB 1.545 25 residues pruned to eliminate duplicates V: 11 17.179 2.148 0.681 0.917 0.900 0.800 CB 1.180 11 residues pruned to eliminate duplicates W: 14 24.340 2.128 0.515 0.911 0.923 0.846 CA 1.608 14 residues pruned to eliminate duplicates X: 66 43.215 2.131 0.686 0.686 0.938 0.692 CB 1.340 60 residues pruned to eliminate duplicates Y: 17 31.530 2.036 1.024 0.867 0.938 0.750 CA 1.493 17 residues pruned to eliminate duplicates Z: 13 36.649 2.337 0.699 0.928 1.000 0.667 CA 1.867 13 residues pruned to eliminate duplicates Z: 16 24.296 1.959 0.808 0.821 0.933 0.733 CB 1.436 16 residues pruned to eliminate duplicates Z: 17 26.054 1.995 0.858 0.857 0.938 0.812 CA 1.381 17 residues pruned to eliminate duplicates Z: 11 22.292 2.158 0.580 0.780 1.000 0.600 CA 1.614 11 residues pruned to eliminate duplicates Z: 11 22.301 2.247 0.686 0.825 1.000 0.700 CA 1.405 11 residues pruned to eliminate duplicates Z: 12 17.196 2.011 0.488 0.758 1.000 0.545 CA 1.377 12 residues pruned to eliminate duplicates Z: 9 16.247 1.894 1.140 0.730 1.000 0.625 CA 1.153 Z: 12 15.268 2.067 0.428 0.709 0.909 0.455 CA 1.419 12 residues pruned to eliminate duplicates Z: 14 16.882 1.895 0.502 0.778 1.000 0.462 CA 1.287 14 residues pruned to eliminate duplicates Z: 11 14.353 2.016 0.330 0.707 1.000 0.500 CB 1.402 5 residues pruned to eliminate duplicates Z: 11 21.027 2.032 0.986 0.820 0.900 0.600 CA 1.387 Z: 12 22.311 2.071 0.881 0.853 1.000 0.727 CA 1.276 11 residues pruned to eliminate duplicates Z: 11 19.019 2.157 0.841 0.911 1.000 0.600 CB 1.074 11 residues pruned to eliminate duplicates Z: 59 42.983 2.084 0.833 0.528 0.966 0.517 CB 1.488 33 residues pruned to eliminate duplicates Z: 47 50.376 2.172 1.075 0.735 0.957 0.522 CB 1.396 52 residues pruned to eliminate duplicates Z: 14 21.363 1.988 0.638 0.926 1.000 0.846 CB 1.276 14 residues pruned to eliminate duplicates Z: 24 14.519 1.933 0.693 0.419 0.913 0.435 CB 1.103 24 residues pruned to eliminate duplicates Z: 17 31.419 1.994 1.116 0.802 0.938 0.750 CB 1.526 17 residues pruned to eliminate duplicates Z: 13 23.929 1.981 0.717 0.905 1.000 0.917 CA 1.445 13 residues pruned to eliminate duplicates Z: 12 12.104 1.701 0.369 0.895 1.000 0.909 CB 1.123 Z: 11 11.521 1.789 0.120 0.886 1.000 0.900 CA 1.312 11 residues pruned to eliminate duplicates Z: 16 32.610 1.988 1.220 0.883 0.933 0.400 CA 1.478 16 residues pruned to eliminate duplicates Z: 14 28.833 2.174 0.943 0.889 0.923 0.769 CB 1.476 14 residues pruned to eliminate duplicates Z: 78 52.453 2.094 0.854 0.672 0.909 0.675 CB 1.444 78 residues pruned to eliminate duplicates Z: 13 21.076 2.042 0.745 0.919 0.917 0.833 CB 1.313 13 residues pruned to eliminate duplicates Z: 10 14.613 1.982 0.201 0.824 1.000 0.778 CB 1.546 Z: 11 10.450 1.751 0.206 0.888 1.000 0.900 CB 1.127 11 residues pruned to eliminate duplicates Z: 12 11.397 1.671 0.344 0.914 1.000 0.909 CB 1.083 12 residues pruned to eliminate duplicates Z: 13 30.499 2.220 1.055 0.924 1.000 0.833 CB 1.355 13 residues pruned to eliminate duplicates Z: 65 33.657 2.022 0.840 0.395 0.875 0.500 CB 1.444 59 residues pruned to eliminate duplicates Z: 11 22.146 2.256 0.846 0.884 0.800 0.500 CA 1.518 Z: 12 23.115 2.008 1.212 0.815 0.909 0.727 CA 1.313 10 residues pruned to eliminate duplicates Z: 54 35.364 2.107 0.824 0.457 0.887 0.528 CB 1.490 54 residues pruned to eliminate duplicates Z: 15 22.127 2.011 0.641 0.864 1.000 0.786 CA 1.314 15 residues pruned to eliminate duplicates Z: 12 7.864 1.799 0.611 0.387 0.727 0.545 CB 1.268 Z: 69 36.094 2.059 0.724 0.451 0.853 0.574 CB 1.520 69 residues pruned to eliminate duplicates Z: 11 20.563 2.090 0.758 0.915 1.000 0.800 CB 1.251 11 residues pruned to eliminate duplicates Z: 9 14.609 2.255 0.372 0.804 0.875 0.500 CA 1.463 9 residues pruned to eliminate duplicates Z: 111 56.663 2.095 0.822 0.604 0.909 0.618 CB 1.410 111 residues pruned to eliminate duplicates Z: 20 20.041 2.127 0.493 0.591 0.947 0.579 CA 1.400 21 residues pruned to eliminate duplicates Z: 7 15.454 1.938 0.931 0.668 1.000 0.333 CA 1.444 5 residues pruned to eliminate duplicates Z: 10 16.099 2.058 0.223 0.911 1.000 0.889 CB 1.512 10 residues pruned to eliminate duplicates Z: 32 27.337 2.156 0.791 0.366 0.903 0.581 CB 1.626 32 residues pruned to eliminate duplicates Z: 70 46.913 2.073 0.884 0.658 0.884 0.522 CB 1.413 70 residues pruned to eliminate duplicates Z: 60 42.637 2.068 0.864 0.506 0.949 0.525 CB 1.508 59 residues pruned to eliminate duplicates Z: 17 28.720 2.010 1.172 0.826 0.938 0.500 CA 1.323 17 residues pruned to eliminate duplicates Z: 29 33.846 2.103 0.709 0.648 0.964 0.536 CB 1.608 29 residues pruned to eliminate duplicates Z: 16 11.053 1.847 0.838 0.297 0.933 0.333 CB 1.130 16 residues pruned to eliminate duplicates Z: 11 19.590 2.250 0.608 0.890 0.900 0.800 CA 1.369 11 residues pruned to eliminate duplicates Z: 14 33.790 2.193 0.809 0.917 0.923 0.385 CA 1.806 14 residues pruned to eliminate duplicates Z: 12 16.271 2.086 0.579 0.924 1.000 0.909 CB 1.046 12 residues pruned to eliminate duplicates Z: 31 24.361 2.047 0.628 0.572 0.833 0.500 CB 1.493 31 residues pruned to eliminate duplicates Z: 12 19.788 2.010 1.353 0.711 0.818 0.636 CB 1.274 11 residues pruned to eliminate duplicates Z: 15 23.987 2.126 0.358 0.857 1.000 0.571 CA 1.637 15 residues pruned to eliminate duplicates Z: 11 22.108 2.087 1.309 0.857 0.900 0.500 CA 1.188 11 residues pruned to eliminate duplicates Z: 12 21.482 2.267 0.434 0.822 1.000 0.727 CA 1.508 11 residues pruned to eliminate duplicates Z: 16 12.586 2.123 0.401 0.356 0.733 0.533 CA 1.740 16 residues pruned to eliminate duplicates Z: 11 15.790 2.031 0.687 0.712 0.900 0.600 CB 1.335 11 residues pruned to eliminate duplicates Z: 10 13.194 1.979 0.304 0.896 0.889 0.889 CB 1.374 10 residues pruned to eliminate duplicates Z: 13 14.255 1.651 0.444 0.906 1.000 1.000 CB 1.227 13 residues pruned to eliminate duplicates Z: 135 61.940 2.139 0.767 0.551 0.933 0.612 CB 1.444 132 residues pruned to eliminate duplicates Z: 12 19.400 1.853 0.886 0.803 1.000 0.727 CA 1.285 12 residues pruned to eliminate duplicates Z: 11 21.898 2.289 0.597 0.894 0.900 0.700 CA 1.510 12 residues pruned to eliminate duplicates Z: 14 19.720 2.170 0.655 0.923 1.000 0.846 CB 1.070 14 residues pruned to eliminate duplicates Z: 120 55.434 2.100 0.683 0.584 0.924 0.588 CB 1.434 120 residues pruned to eliminate duplicates Z: 20 22.921 2.103 0.906 0.664 0.895 0.684 CB 1.260 20 residues pruned to eliminate duplicates Z: 61 40.653 2.142 0.916 0.497 0.850 0.567 CB 1.509 66 residues pruned to eliminate duplicates Z: 12 19.351 1.934 0.665 0.859 1.000 0.727 CB 1.333 Z: 12 17.573 2.023 0.593 0.802 0.909 0.545 CB 1.389 Z: 10 10.851 1.905 0.122 0.907 1.000 1.000 CB 1.202 10 residues pruned to eliminate duplicates Z: 14 21.355 1.967 0.922 0.839 0.923 0.692 CA 1.268 14 residues pruned to eliminate duplicates Z: 13 28.806 1.983 1.161 0.904 1.000 0.667 CA 1.382 13 residues pruned to eliminate duplicates Z: 13 33.507 2.338 0.691 0.921 0.917 0.750 CA 1.878 13 residues pruned to eliminate duplicates Z: 13 27.747 2.129 1.122 0.930 0.917 0.750 CB 1.352 13 residues pruned to eliminate duplicates Z: 59 36.076 2.083 0.824 0.420 0.914 0.569 CB 1.482 59 residues pruned to eliminate duplicates Z: 23 24.951 2.163 1.211 0.456 0.818 0.500 CA 1.423 23 residues pruned to eliminate duplicates Z: 17 30.236 2.002 0.877 0.850 1.000 0.438 CA 1.491 17 residues pruned to eliminate duplicates Z: 14 35.420 2.242 0.890 0.913 0.923 0.615 CA 1.777 14 residues pruned to eliminate duplicates Z: 16 29.831 2.064 1.077 0.868 0.933 0.733 CA 1.407 16 residues pruned to eliminate duplicates Z: 14 31.960 2.201 0.791 0.878 1.000 0.769 CA 1.631 14 residues pruned to eliminate duplicates Z: 27 25.493 2.100 0.840 0.439 0.923 0.538 CB 1.494 27 residues pruned to eliminate duplicates Z: 17 22.563 1.990 0.873 0.849 0.938 0.812 CA 1.197 17 residues pruned to eliminate duplicates Z: 14 29.677 2.280 0.580 0.906 0.923 0.769 CA 1.760 14 residues pruned to eliminate duplicates Z: 11 22.042 2.114 0.589 0.811 1.000 0.700 CA 1.583 13 residues pruned to eliminate duplicates Z: 13 13.151 1.832 0.495 0.766 0.917 0.750 CB 1.194 13 residues pruned to eliminate duplicates Z: 12 8.547 1.638 0.700 0.412 0.818 0.455 CB 1.241 12 residues pruned to eliminate duplicates Z: 11 26.618 2.114 1.107 0.837 1.000 0.700 CA 1.414 11 residues pruned to eliminate duplicates Z: 17 20.133 1.918 0.731 0.757 0.938 0.500 CB 1.287 17 residues pruned to eliminate duplicates Z: 12 14.281 1.777 0.719 0.744 0.909 0.545 CA 1.246 12 residues pruned to eliminate duplicates Z: 70 38.588 2.019 0.788 0.512 0.884 0.493 CB 1.440 70 residues pruned to eliminate duplicates Z: 12 19.606 2.085 0.629 0.851 1.000 0.818 CB 1.288 12 residues pruned to eliminate duplicates Z: 12 14.563 1.968 0.400 0.768 1.000 0.636 CA 1.257 12 residues pruned to eliminate duplicates Z: 13 22.484 2.125 0.992 0.809 0.917 0.750 CA 1.277 13 residues pruned to eliminate duplicates Z: 13 14.928 1.970 0.274 0.872 1.000 0.750 CA 1.252 13 residues pruned to eliminate duplicates Z: 10 14.835 1.875 0.366 0.902 1.000 0.889 CB 1.377 10 residues pruned to eliminate duplicates Z: 64 34.166 2.053 0.736 0.489 0.889 0.508 CB 1.375 64 residues pruned to eliminate duplicates Z: 14 27.294 2.227 0.477 0.904 1.000 0.692 CA 1.639 14 residues pruned to eliminate duplicates Z: 12 19.670 1.922 0.828 0.849 0.909 0.727 CA 1.376 12 residues pruned to eliminate duplicates Z: 60 38.011 2.082 0.779 0.524 0.932 0.475 CB 1.399 61 residues pruned to eliminate duplicates Z: 17 21.345 1.925 0.664 0.802 1.000 0.688 CB 1.279 17 residues pruned to eliminate duplicates Z: 12 14.224 2.057 0.550 0.626 0.818 0.273 CB 1.460 12 residues pruned to eliminate duplicates Z: 11 20.893 2.061 0.715 0.883 1.000 1.000 CA 1.352 10 residues pruned to eliminate duplicates Z: 12 18.615 2.090 0.537 0.836 1.000 0.727 CA 1.308 12 residues pruned to eliminate duplicates Z: 11 24.546 2.085 1.340 0.795 0.800 0.600 CA 1.536 11 residues pruned to eliminate duplicates Z: 12 12.037 1.828 0.085 0.920 1.000 1.000 CB 1.288 12 residues pruned to eliminate duplicates Z: 10 15.866 2.043 0.514 0.892 0.889 0.556 CB 1.382 10 residues pruned to eliminate duplicates Z: 7 9.188 1.949 0.787 0.364 0.833 0.667 CA 1.495 7 residues pruned to eliminate duplicates Z: 12 18.407 1.924 0.644 0.895 1.000 0.909 CB 1.258 12 residues pruned to eliminate duplicates Z: 6 8.130 1.659 0.814 0.815 1.000 0.800 CA 0.919 6 residues pruned to eliminate duplicates Z: 59 41.251 2.162 0.807 0.440 0.931 0.655 CB 1.585 59 residues pruned to eliminate duplicates Z: 6 4.859 1.666 0.241 0.694 0.800 0.600 N 1.101 6 residues pruned to eliminate duplicates Z: 13 17.130 2.009 0.693 0.913 1.000 0.833 CB 1.029 13 residues pruned to eliminate duplicates Z: 121 55.811 2.060 0.868 0.531 0.917 0.542 CB 1.401 121 residues pruned to eliminate duplicates Z: 11 13.927 1.936 0.290 0.907 1.000 0.700 CB 1.253 11 residues pruned to eliminate duplicates Z: 11 17.448 1.892 0.698 0.868 1.000 0.700 CB 1.255 9 residues pruned to eliminate duplicates Z: 6 9.041 2.029 0.366 0.731 0.800 0.600 CB 1.481 6 residues pruned to eliminate duplicates Z: 15 26.086 2.104 0.621 0.883 0.929 0.714 CA 1.592 15 residues pruned to eliminate duplicates Z: 11 12.931 1.739 0.466 0.817 0.900 0.700 CA 1.353 9 residues pruned to eliminate duplicates Z: 12 23.883 2.178 0.913 0.846 0.909 0.636 CA 1.413 12 residues pruned to eliminate duplicates Z: 27 28.755 2.110 1.036 0.465 0.962 0.538 CB 1.415 27 residues pruned to eliminate duplicates Z: 11 19.359 2.254 0.455 0.842 1.000 0.800 CB 1.391 10 residues pruned to eliminate duplicates Z: 14 25.391 2.144 0.893 0.903 1.000 0.692 CB 1.236 14 residues pruned to eliminate duplicates Z: 14 13.407 1.769 0.496 0.837 1.000 0.846 CB 1.051 14 residues pruned to eliminate duplicates Z: 10 14.339 1.929 0.978 0.599 0.889 0.667 CB 1.282 10 residues pruned to eliminate duplicates Z: 15 14.720 1.768 0.440 0.806 1.000 0.857 CB 1.182 15 residues pruned to eliminate duplicates Z: 11 15.542 2.268 0.553 0.755 0.700 0.400 CA 1.589 11 residues pruned to eliminate duplicates Z: 15 22.778 2.026 0.505 0.843 1.000 0.857 CB 1.486 15 residues pruned to eliminate duplicates Z: 12 28.421 1.987 1.210 0.894 1.000 0.727 CA 1.400 13 residues pruned to eliminate duplicates Z: 15 17.882 1.974 0.870 0.517 1.000 0.786 CB 1.273 15 residues pruned to eliminate duplicates Z: 60 31.156 1.970 0.718 0.428 0.898 0.542 CB 1.439 60 residues pruned to eliminate duplicates Z: 27 22.461 2.016 0.702 0.523 0.923 0.615 CB 1.360 27 residues pruned to eliminate duplicates Z: 122 67.057 2.179 0.881 0.584 0.909 0.628 CB 1.509 124 residues pruned to eliminate duplicates Z: 29 26.804 2.190 0.667 0.421 0.929 0.536 CA 1.624 29 residues pruned to eliminate duplicates Z: 9 12.158 1.933 0.777 0.595 0.875 0.750 CB 1.306 13 residues pruned to eliminate duplicates Z: 89 57.413 2.138 0.879 0.647 0.932 0.614 CB 1.426 89 residues pruned to eliminate duplicates Z: 63 37.525 2.121 0.854 0.389 0.887 0.516 CB 1.536 63 residues pruned to eliminate duplicates Z: 9 17.781 2.039 0.480 0.896 1.000 0.625 CA 1.493 9 residues pruned to eliminate duplicates Z: 12 7.621 1.623 0.259 0.706 0.818 0.636 CA 1.140 Z: 32 25.989 2.132 0.878 0.384 0.839 0.548 CA 1.572 27 residues pruned to eliminate duplicates Z: 18 18.703 2.176 0.633 0.494 0.882 0.412 CA 1.455 18 residues pruned to eliminate duplicates Z: 12 13.552 1.878 1.129 0.611 0.909 0.727 CB 1.012 12 residues pruned to eliminate duplicates Z: 25 29.224 2.108 0.690 0.608 1.000 0.708 CB 1.511 25 residues pruned to eliminate duplicates Z: 28 28.349 2.084 0.673 0.562 0.926 0.630 CB 1.591 22 residues pruned to eliminate duplicates Z: 11 24.669 2.074 1.138 0.868 0.900 0.500 CB 1.429 11 residues pruned to eliminate duplicates Z: 12 22.486 1.944 0.938 0.917 1.000 0.909 CB 1.270 12 residues pruned to eliminate duplicates Z: 11 17.589 1.955 0.391 0.840 0.900 0.500 CA 1.697 11 residues pruned to eliminate duplicates Z: 12 20.211 2.154 0.704 0.852 0.909 0.636 CA 1.351 12 residues pruned to eliminate duplicates Z: 6 3.704 1.470 0.424 0.504 0.800 0.800 CB 0.985 Z: 11 18.437 2.083 0.473 0.848 0.900 0.900 CA 1.567 11 residues pruned to eliminate duplicates Z: 13 14.772 1.853 0.531 0.791 0.917 0.500 CB 1.271 13 residues pruned to eliminate duplicates Z: 13 20.583 2.042 0.816 0.826 1.000 0.667 CA 1.208 11 residues pruned to eliminate duplicates Z: 12 8.819 1.725 0.354 0.778 0.818 0.818 CB 1.089 12 residues pruned to eliminate duplicates Z: 11 16.870 1.908 0.551 0.874 1.000 0.300 CB 1.311 10 residues pruned to eliminate duplicates Z: 64 44.168 2.124 0.862 0.505 0.937 0.571 CB 1.495 64 residues pruned to eliminate duplicates Z: 52 34.881 2.176 0.788 0.414 0.882 0.510 CB 1.556 52 residues pruned to eliminate duplicates Z: 60 39.028 2.073 0.709 0.509 0.966 0.542 CB 1.471 60 residues pruned to eliminate duplicates Z: 13 24.515 2.203 1.040 0.896 0.917 0.667 CB 1.230 13 residues pruned to eliminate duplicates Z: 13 14.316 1.943 0.563 0.692 0.917 0.417 CB 1.246 13 residues pruned to eliminate duplicates Z: 22 23.972 2.043 0.820 0.472 0.905 0.571 CB 1.599 22 residues pruned to eliminate duplicates Z: 43 24.104 1.992 0.755 0.398 0.905 0.571 CB 1.310 43 residues pruned to eliminate duplicates Z: 10 13.949 1.914 0.281 0.856 1.000 0.778 CB 1.398 10 residues pruned to eliminate duplicates Z: 14 15.693 1.885 0.665 0.824 0.846 0.769 CB 1.238 14 residues pruned to eliminate duplicates Z: 87 46.158 2.100 0.773 0.549 0.895 0.605 CB 1.424 87 residues pruned to eliminate duplicates Z: 17 32.454 2.032 1.074 0.879 1.000 0.812 CA 1.396 17 residues pruned to eliminate duplicates Z: 21 22.781 2.103 0.596 0.591 0.900 0.650 CA 1.546 19 residues pruned to eliminate duplicates Z: 13 21.465 2.002 0.737 0.856 1.000 0.667 CB 1.314 14 residues pruned to eliminate duplicates Z: 11 18.153 1.932 1.086 0.772 0.800 0.300 CB 1.401 11 residues pruned to eliminate duplicates Z: 11 18.421 2.200 0.620 0.843 1.000 0.700 CA 1.217 11 residues pruned to eliminate duplicates Z: 7 10.143 2.124 0.132 0.873 1.000 0.833 CA 1.254 7 residues pruned to eliminate duplicates Z: 16 17.578 1.886 0.597 0.810 0.867 0.533 CB 1.327 16 residues pruned to eliminate duplicates Z: 74 41.252 2.078 0.803 0.583 0.863 0.630 CB 1.379 74 residues pruned to eliminate duplicates Z: 53 33.103 2.066 0.792 0.438 0.904 0.577 CB 1.463 53 residues pruned to eliminate duplicates Z: 13 11.519 2.175 0.336 0.912 1.000 0.750 CB 0.811 13 residues pruned to eliminate duplicates Z: 15 16.067 1.788 0.543 0.827 0.929 0.786 CB 1.264 15 residues pruned to eliminate duplicates Z: 12 15.395 1.794 0.743 0.830 0.909 0.545 CA 1.228 12 residues pruned to eliminate duplicates Z: 12 8.713 1.621 0.282 0.829 0.909 0.909 CA 1.046 12 residues pruned to eliminate duplicates Z: 9 8.573 1.868 0.065 0.878 0.875 0.750 CB 1.264 9 residues pruned to eliminate duplicates Z: 15 23.360 2.124 0.678 0.850 0.786 0.357 CA 1.652 15 residues pruned to eliminate duplicates Z: 16 24.594 1.954 0.754 0.816 1.000 0.800 CB 1.408 16 residues pruned to eliminate duplicates Z: 13 27.374 2.021 0.927 0.877 1.000 0.583 CA 1.474 13 residues pruned to eliminate duplicates Z: 11 15.904 1.795 0.633 0.830 1.000 0.400 CA 1.290 12 residues pruned to eliminate duplicates Z: 48 38.474 2.092 1.031 0.430 0.936 0.596 CB 1.516 48 residues pruned to eliminate duplicates Z: 39 26.264 2.044 0.534 0.628 0.947 0.579 CB 1.272 39 residues pruned to eliminate duplicates Z: 14 16.009 2.012 0.622 0.902 0.923 0.538 CB 1.051 14 residues pruned to eliminate duplicates Z: 13 19.295 1.844 0.649 0.905 1.000 0.833 CB 1.304 13 residues pruned to eliminate duplicates Z: 10 17.599 2.062 0.499 0.895 0.889 0.778 CB 1.531 10 residues pruned to eliminate duplicates Z: 7 9.480 1.838 0.351 0.696 1.000 0.500 CA 1.304 7 residues pruned to eliminate duplicates Z: 12 21.472 2.049 1.013 0.833 0.909 0.636 CA 1.295 12 residues pruned to eliminate duplicates Z: 17 27.024 1.974 0.906 0.872 1.000 0.812 CA 1.308 17 residues pruned to eliminate duplicates Z: 6 3.112 1.369 0.406 0.425 0.800 0.400 CB 0.977 Z: 11 18.014 2.060 0.941 0.771 0.800 0.400 CA 1.402 11 residues pruned to eliminate duplicates Z: 7 7.029 1.904 0.699 0.731 0.667 0.667 CB 1.080 7 residues pruned to eliminate duplicates Z: 12 12.299 1.958 0.234 0.725 0.909 0.455 CA 1.378 12 residues pruned to eliminate duplicates Z: 17 28.726 2.007 0.811 0.858 1.000 0.688 CA 1.455 17 residues pruned to eliminate duplicates Z: 13 15.590 2.002 0.738 0.901 1.000 0.750 CB 0.923 13 residues pruned to eliminate duplicates Z: 12 17.790 2.133 0.465 0.794 0.909 0.455 CA 1.458 12 residues pruned to eliminate duplicates Z: 11 8.919 1.904 0.364 0.861 0.800 0.600 CB 0.997 11 residues pruned to eliminate duplicates Z: 17 23.382 1.960 0.769 0.812 0.938 0.812 CB 1.371 17 residues pruned to eliminate duplicates Z: 13 17.417 1.811 0.589 0.887 1.000 0.750 CB 1.260 13 residues pruned to eliminate duplicates Z: 9 14.955 2.054 0.525 0.897 0.875 0.875 CB 1.380 9 residues pruned to eliminate duplicates Z: 13 18.945 1.981 0.509 0.926 1.000 0.917 CB 1.283 13 residues pruned to eliminate duplicates Z: 71 39.482 2.099 0.745 0.495 0.943 0.557 CB 1.373 71 residues pruned to eliminate duplicates Z: 102 51.413 2.124 0.916 0.539 0.881 0.584 CB 1.373 102 residues pruned to eliminate duplicates Z: 8 7.306 1.477 0.799 0.638 0.857 0.429 CB 1.066 8 residues pruned to eliminate duplicates Z: 18 18.132 1.944 0.672 0.750 0.941 0.647 CB 1.151 18 residues pruned to eliminate duplicates Z: 10 3.379 1.479 0.591 0.334 0.667 0.556 CB 0.860 10 residues pruned to eliminate duplicates Z: 6 8.934 1.714 0.542 0.854 1.000 1.000 N 1.116 6 residues pruned to eliminate duplicates Z: 19 26.726 2.156 0.759 0.608 0.944 0.722 CA 1.587 19 residues pruned to eliminate duplicates Z: 12 10.795 1.618 0.729 0.887 1.000 0.909 CA 0.839 12 residues pruned to eliminate duplicates Z: 11 23.366 2.271 0.721 0.822 1.000 0.700 CA 1.430 11 residues pruned to eliminate duplicates Z: 14 28.238 2.209 1.105 0.911 1.000 0.615 CB 1.194 14 residues pruned to eliminate duplicates Z: 10 13.919 2.047 0.115 0.879 1.000 0.889 CB 1.474 10 residues pruned to eliminate duplicates Z: 9 17.258 2.178 0.564 0.909 1.000 1.000 CB 1.271 9 residues pruned to eliminate duplicates Z: 32 16.605 1.993 0.669 0.322 0.742 0.516 CA 1.470 32 residues pruned to eliminate duplicates Z: 15 20.145 1.957 0.977 0.830 0.857 0.357 CB 1.221 15 residues pruned to eliminate duplicates Z: 22 15.756 2.010 0.776 0.315 0.810 0.381 CB 1.461 22 residues pruned to eliminate duplicates Z: 7 3.667 1.857 0.047 0.504 0.833 0.667 CB 0.920 7 residues pruned to eliminate duplicates Z: 7 6.398 1.761 -0.158 0.861 1.000 1.000 CA 1.294 Z: 6 5.947 1.629 0.350 0.697 0.800 0.600 CB 1.262 6 residues pruned to eliminate duplicates Z: 14 19.394 1.977 1.135 0.916 0.923 0.462 CB 0.975 14 residues pruned to eliminate duplicates Z: 11 21.361 2.073 0.758 0.884 1.000 0.800 CB 1.339 11 residues pruned to eliminate duplicates Z: 26 24.071 1.917 0.932 0.615 0.920 0.640 CB 1.267 26 residues pruned to eliminate duplicates Z: 11 23.594 2.039 0.992 0.917 0.900 0.800 CA 1.440 11 residues pruned to eliminate duplicates Z: 13 14.454 2.035 0.731 0.529 0.917 0.750 CB 1.256 13 residues pruned to eliminate duplicates Z: 10 18.982 1.971 0.929 0.844 1.000 0.778 CA 1.238 10 residues pruned to eliminate duplicates Z: 13 23.544 2.049 1.035 0.922 0.917 0.583 CB 1.251 13 residues pruned to eliminate duplicates Z: 9 7.584 1.701 0.374 0.852 0.875 0.750 CA 0.969 9 residues pruned to eliminate duplicates Z: 15 21.723 2.039 0.590 0.663 1.000 0.714 CA 1.540 15 residues pruned to eliminate duplicates Z: 19 22.710 2.043 0.786 0.568 0.944 0.611 CA 1.454 14 residues pruned to eliminate duplicates Z: 7 7.438 1.612 0.498 0.696 0.833 0.833 CB 1.261 Z: 11 9.208 1.756 0.595 0.677 0.900 0.300 CB 0.982 11 residues pruned to eliminate duplicates Z: 15 26.793 2.166 0.912 0.897 0.929 0.929 CB 1.332 15 residues pruned to eliminate duplicates Z: 6 4.287 1.469 1.242 0.455 0.600 0.600 CB 1.016 Z: 106 55.502 2.095 0.728 0.616 0.924 0.590 CB 1.451 106 residues pruned to eliminate duplicates Z: 14 13.097 1.763 1.077 0.447 0.846 0.615 CA 1.238 Z: 33 17.569 1.879 0.407 0.471 0.875 0.438 CB 1.383 33 residues pruned to eliminate duplicates Z: 59 43.159 2.100 0.803 0.551 0.948 0.621 CB 1.501 59 residues pruned to eliminate duplicates Z: 27 25.940 2.051 0.961 0.494 0.885 0.577 CB 1.438 27 residues pruned to eliminate duplicates Z: 18 19.399 1.979 0.762 0.584 1.000 0.588 CB 1.245 18 residues pruned to eliminate duplicates Z: 43 29.915 2.052 0.804 0.421 0.905 0.548 CA 1.496 46 residues pruned to eliminate duplicates Z: 8 8.367 1.670 0.536 0.567 1.000 0.857 CB 1.156 Z: 17 26.083 1.962 0.816 0.835 1.000 0.750 CB 1.371 17 residues pruned to eliminate duplicates Z: 12 19.972 1.964 0.626 0.800 1.000 0.545 CB 1.450 12 residues pruned to eliminate duplicates Z: 14 17.897 2.009 0.603 0.929 0.923 0.846 CB 1.168 14 residues pruned to eliminate duplicates Z: 31 25.123 2.168 0.765 0.364 0.900 0.533 CB 1.541 31 residues pruned to eliminate duplicates Z: 19 13.366 1.867 0.306 0.605 1.000 0.667 CB 1.169 19 residues pruned to eliminate duplicates Z: 11 11.470 1.707 0.348 0.838 0.900 0.700 CA 1.309 11 residues pruned to eliminate duplicates Z: 12 17.311 2.022 0.500 0.807 1.000 0.727 CA 1.317 12 residues pruned to eliminate duplicates Z: 24 21.018 2.081 0.722 0.427 0.913 0.565 CB 1.446 24 residues pruned to eliminate duplicates Z: 14 19.296 1.972 0.592 0.920 1.000 0.923 CB 1.200 14 residues pruned to eliminate duplicates Z: 30 26.813 2.012 0.794 0.515 0.862 0.655 CB 1.576 30 residues pruned to eliminate duplicates Z: 6 2.368 1.418 0.808 0.437 0.600 0.400 CB 0.735 Z: 13 13.308 1.927 0.325 0.824 1.000 0.833 CB 1.136 13 residues pruned to eliminate duplicates Z: 93 53.097 2.112 0.845 0.559 0.935 0.543 CB 1.435 93 residues pruned to eliminate duplicates Z: 7 2.708 1.510 0.135 0.723 0.667 0.667 CB 0.791 Z: 9 13.230 2.029 0.333 0.866 1.000 0.875 CB 1.266 9 residues pruned to eliminate duplicates Z: 11 5.630 1.514 0.357 0.379 0.900 0.600 CB 1.095 7 residues pruned to eliminate duplicates Z: 21 18.462 1.877 0.585 0.550 1.000 0.700 CB 1.321 14 residues pruned to eliminate duplicates Z: 11 4.811 1.539 0.484 0.225 0.700 0.300 N 1.313 Z: 47 34.578 2.034 0.910 0.702 0.935 0.652 CB 1.168 47 residues pruned to eliminate duplicates Z: 7 3.993 1.476 0.417 0.246 0.833 0.333 CA 1.254 Z: 15 13.503 1.896 0.893 0.597 0.857 0.714 CA 1.070 15 residues pruned to eliminate duplicates Z: 11 15.014 1.820 0.777 0.868 0.900 0.500 CA 1.192 11 residues pruned to eliminate duplicates Z: 11 21.133 1.966 0.906 0.921 1.000 0.900 CB 1.254 11 residues pruned to eliminate duplicates Z: 12 14.621 1.693 1.236 0.490 0.909 0.636 CA 1.294 12 residues pruned to eliminate duplicates Z: 14 20.891 1.780 0.851 0.874 1.000 0.692 CB 1.280 14 residues pruned to eliminate duplicates Z: 11 22.448 2.131 0.670 0.815 1.000 0.500 CA 1.516 11 residues pruned to eliminate duplicates Z: 23 12.695 1.864 0.302 0.503 0.864 0.636 CB 1.287 11 residues pruned to eliminate duplicates Z: 11 11.181 1.715 0.462 0.782 0.900 0.500 CB 1.222 11 residues pruned to eliminate duplicates Z: 12 19.374 1.956 0.532 0.902 1.000 0.909 CA 1.390 12 residues pruned to eliminate duplicates Z: 13 17.838 1.982 0.657 0.911 0.917 0.750 CB 1.212 13 residues pruned to eliminate duplicates Z: 9 13.439 1.893 0.455 0.865 1.000 0.875 CA 1.264 9 residues pruned to eliminate duplicates Z: 7 10.419 1.684 0.428 0.683 1.000 1.000 CB 1.495 11 residues pruned to eliminate duplicates Z: 14 14.069 1.846 0.646 0.699 0.923 0.692 CB 1.160 14 residues pruned to eliminate duplicates Z: 9 6.977 1.836 0.135 0.610 0.875 0.625 CB 1.219 9 residues pruned to eliminate duplicates Z: 55 41.984 2.120 0.875 0.470 0.963 0.611 CB 1.539 55 residues pruned to eliminate duplicates Z: 22 14.234 1.851 0.303 0.605 0.905 0.714 CB 1.288 22 residues pruned to eliminate duplicates Z: 22 27.182 2.041 1.002 0.588 0.905 0.524 CB 1.474 22 residues pruned to eliminate duplicates Z: 15 17.249 1.799 0.640 0.856 1.000 0.786 CB 1.152 15 residues pruned to eliminate duplicates Z: 19 21.557 1.986 0.762 0.710 0.833 0.556 CB 1.440 19 residues pruned to eliminate duplicates Z: 9 10.558 1.952 0.650 0.732 0.750 0.625 CA 1.255 9 residues pruned to eliminate duplicates Z: 23 15.420 1.952 0.343 0.498 0.818 0.545 CA 1.536 23 residues pruned to eliminate duplicates Z: 31 28.573 2.069 0.782 0.669 0.900 0.600 CB 1.346 31 residues pruned to eliminate duplicates Z: 9 2.048 1.258 0.227 0.121 0.750 0.500 O 1.007 Z: 14 19.606 1.783 0.776 0.927 1.000 0.846 CB 1.204 14 residues pruned to eliminate duplicates Z: 12 26.650 2.197 1.087 0.902 1.000 0.909 CB 1.249 12 residues pruned to eliminate duplicates Z: 32 23.306 2.133 0.749 0.353 0.839 0.484 CA 1.569 32 residues pruned to eliminate duplicates Z: 39 32.927 2.092 0.760 0.654 0.974 0.684 CB 1.291 39 residues pruned to eliminate duplicates Z: 11 27.047 2.060 0.961 0.931 1.000 0.500 CB 1.479 13 residues pruned to eliminate duplicates Z: 12 23.641 2.029 0.772 0.906 0.909 0.455 CB 1.552 12 residues pruned to eliminate duplicates Z: 11 22.220 2.054 0.871 0.777 0.900 0.700 CA 1.592 11 residues pruned to eliminate duplicates Z: 11 8.743 1.570 0.725 0.570 0.800 0.700 CB 1.192 Z: 11 16.874 2.057 0.417 0.889 1.000 0.900 CB 1.318 11 residues pruned to eliminate duplicates Z: 10 4.390 1.418 0.639 0.424 0.778 0.444 CB 0.877 Z: 17 11.013 1.787 0.400 0.451 0.750 0.438 CA 1.544 18 residues pruned to eliminate duplicates Z: 11 12.787 1.800 0.373 0.818 1.000 0.700 CA 1.241 11 residues pruned to eliminate duplicates Z: 9 6.635 1.743 0.305 0.468 0.875 0.500 CB 1.218 8 residues pruned to eliminate duplicates Z: 9 5.672 2.051 -0.161 0.913 1.000 1.000 CB 0.824 9 residues pruned to eliminate duplicates Z: 46 42.485 2.167 0.781 0.730 0.978 0.667 CB 1.365 46 residues pruned to eliminate duplicates Z: 11 3.803 1.575 0.223 0.622 0.700 0.400 CB 0.795 11 residues pruned to eliminate duplicates Z: 10 11.410 1.768 0.846 0.720 0.889 0.556 CA 1.074 10 residues pruned to eliminate duplicates Z: 7 6.685 1.533 0.471 0.868 1.000 0.833 CB 0.885 7 residues pruned to eliminate duplicates Z: 28 11.283 1.727 0.546 0.330 0.741 0.370 CB 1.323 27 residues pruned to eliminate duplicates Z: 12 13.319 1.766 0.199 0.902 1.000 1.000 CB 1.354 12 residues pruned to eliminate duplicates Z: 11 6.504 1.789 0.407 0.358 0.900 0.700 CB 1.058 9 residues pruned to eliminate duplicates Z: 6 4.982 1.755 -0.042 0.648 0.800 0.800 CB 1.443 Z: 14 22.910 1.710 1.072 0.880 1.000 0.769 CB 1.299 14 residues pruned to eliminate duplicates Z: 31 21.470 2.005 0.548 0.471 0.900 0.500 CB 1.446 31 residues pruned to eliminate duplicates Z: 53 39.046 2.036 0.719 0.668 0.923 0.635 CB 1.436 53 residues pruned to eliminate duplicates Z: 10 27.926 2.031 1.205 0.902 1.000 0.333 CB 1.482 11 residues pruned to eliminate duplicates Z: 7 3.981 1.514 0.372 0.517 0.833 0.500 CB 0.924 7 residues pruned to eliminate duplicates Z: 11 13.876 2.126 0.444 0.907 0.900 0.700 CB 1.129 11 residues pruned to eliminate duplicates Z: 15 15.657 2.087 0.767 0.900 0.929 0.857 CB 0.873 15 residues pruned to eliminate duplicates Z: 6 3.787 1.449 0.325 0.620 1.000 0.400 CB 0.788 Z: 41 26.262 2.068 0.873 0.304 0.850 0.575 CA 1.568 41 residues pruned to eliminate duplicates Z: 15 13.393 1.871 0.378 0.633 0.857 0.643 CB 1.430 15 residues pruned to eliminate duplicates Z: 13 19.502 1.769 0.799 0.890 1.000 0.917 CB 1.273 13 residues pruned to eliminate duplicates Z: 47 35.207 2.080 0.891 0.474 0.913 0.565 CB 1.484 47 residues pruned to eliminate duplicates Z: 9 11.851 1.787 0.438 0.867 1.000 0.875 CA 1.194 9 residues pruned to eliminate duplicates Z: 14 14.489 1.767 0.391 0.829 1.000 0.692 CB 1.230 14 residues pruned to eliminate duplicates Z: 130 65.169 2.164 0.792 0.567 0.922 0.636 CB 1.503 130 residues pruned to eliminate duplicates Z: 32 15.453 1.853 0.692 0.586 0.806 0.484 CB 1.011 32 residues pruned to eliminate duplicates Z: 11 23.826 2.183 0.625 0.871 1.000 0.900 CB 1.550 11 residues pruned to eliminate duplicates Z: 12 10.137 1.708 0.278 0.820 1.000 0.545 CA 1.061 12 residues pruned to eliminate duplicates Z: 13 23.466 1.872 0.987 0.843 1.000 0.667 CB 1.356 13 residues pruned to eliminate duplicates Z: 11 14.149 1.854 0.800 0.817 0.900 0.300 CB 1.131 11 residues pruned to eliminate duplicates Z: 7 2.506 1.481 0.383 0.327 0.667 0.333 CB 0.906 Z: 10 16.897 1.942 0.717 0.703 1.000 0.444 CA 1.404 10 residues pruned to eliminate duplicates Z: 47 33.440 2.066 0.824 0.410 0.935 0.500 CB 1.538 47 residues pruned to eliminate duplicates Z: 12 20.012 1.881 0.760 0.826 1.000 0.636 CA 1.375 12 residues pruned to eliminate duplicates Z: 12 11.107 1.732 0.418 0.798 0.909 0.636 CA 1.156 12 residues pruned to eliminate duplicates Z: 7 2.284 1.439 0.505 0.243 0.833 0.333 CB 0.695 Z: 15 14.517 1.705 0.443 0.887 1.000 0.857 CA 1.136 15 residues pruned to eliminate duplicates Z: 13 23.470 2.006 1.004 0.935 0.917 0.833 CB 1.281 13 residues pruned to eliminate duplicates 7 1.716 1.244 0.679 0.249 0.667 0.333 CB 0.672 ? Z: 7 8.764 1.803 0.498 0.853 1.000 1.000 CB 0.979 7 residues pruned to eliminate duplicates Z: 71 38.691 2.124 0.608 0.494 0.943 0.600 CB 1.446 71 residues pruned to eliminate duplicates Z: 10 9.845 1.845 0.252 0.858 1.000 1.000 CA 1.047 10 residues pruned to eliminate duplicates Z: 13 22.161 1.790 1.055 0.935 1.000 0.750 CB 1.212 13 residues pruned to eliminate duplicates Z: 13 18.430 1.813 0.870 0.847 1.000 0.833 CB 1.165 13 residues pruned to eliminate duplicates Z: 17 15.430 1.906 0.659 0.460 0.875 0.688 CB 1.452 17 residues pruned to eliminate duplicates Z: 26 14.331 1.824 0.714 0.455 0.760 0.320 CB 1.264 26 residues pruned to eliminate duplicates Z: 13 8.499 1.606 0.443 0.810 0.833 0.583 CA 0.970 13 residues pruned to eliminate duplicates Z: 59 36.310 2.146 0.808 0.446 0.897 0.603 CB 1.449 59 residues pruned to eliminate duplicates Z: 7 2.705 1.440 0.271 0.682 1.000 0.667 CB 0.510 Z: 10 21.930 1.999 0.976 0.916 1.000 0.444 CB 1.307 10 residues pruned to eliminate duplicates Z: 13 11.287 1.738 0.693 0.822 0.833 0.583 CB 1.006 13 residues pruned to eliminate duplicates Z: 63 30.598 2.028 0.662 0.410 0.871 0.500 CB 1.456 125 residues pruned to eliminate duplicates Z: 27 20.465 2.009 0.785 0.449 0.923 0.462 CB 1.277 27 residues pruned to eliminate duplicates Z: 26 19.457 1.886 0.708 0.583 0.960 0.680 CB 1.162 26 residues pruned to eliminate duplicates Z: 30 20.329 1.983 0.742 0.482 0.828 0.552 CB 1.345 Z: 48 32.682 2.068 0.643 0.542 0.915 0.574 CB 1.471 48 residues pruned to eliminate duplicates Z: 22 25.676 2.028 0.954 0.587 0.905 0.571 CB 1.438 23 residues pruned to eliminate duplicates Z: 82 48.520 2.093 0.807 0.667 0.889 0.494 CB 1.374 82 residues pruned to eliminate duplicates Z: 9 2.425 1.395 0.350 0.278 0.750 0.250 CA 0.781 Z: 29 25.172 2.058 0.728 0.498 0.893 0.571 CB 1.500 29 residues pruned to eliminate duplicates Z: 6 3.950 1.410 0.723 0.732 1.000 1.000 CB 0.591 6 residues pruned to eliminate duplicates Z: 16 17.420 1.890 0.591 0.841 0.933 0.733 CB 1.195 16 residues pruned to eliminate duplicates Z: 15 11.417 1.822 0.345 0.553 0.929 0.786 CB 1.273 19 residues pruned to eliminate duplicates Z: 12 12.821 1.674 0.643 0.854 0.909 0.818 CA 1.141 12 residues pruned to eliminate duplicates Z: 12 14.809 1.714 0.669 0.902 0.909 0.909 CB 1.224 8 residues pruned to eliminate duplicates Z: 11 17.086 2.115 0.648 0.888 1.000 0.900 CA 1.117 11 residues pruned to eliminate duplicates Z: 122 56.581 2.109 0.802 0.553 0.917 0.612 CB 1.401 122 residues pruned to eliminate duplicates Z: 25 17.921 1.965 0.611 0.456 0.833 0.625 CB 1.451 25 residues pruned to eliminate duplicates Z: 11 5.112 1.673 0.331 0.290 0.700 0.400 CB 1.313 11 residues pruned to eliminate duplicates Z: 27 28.613 2.043 0.843 0.582 1.000 0.654 CB 1.378 27 residues pruned to eliminate duplicates Z: 65 35.612 1.974 0.672 0.633 0.922 0.625 CB 1.292 65 residues pruned to eliminate duplicates Z: 17 9.091 1.782 0.503 0.291 0.875 0.562 CB 1.226 17 residues pruned to eliminate duplicates Z: 7 3.740 1.607 -0.081 0.477 0.833 0.667 CA 1.270 4 residues pruned to eliminate duplicates Z: 56 34.007 2.034 0.793 0.621 0.927 0.655 CB 1.210 56 residues pruned to eliminate duplicates Z: 23 23.133 1.993 0.648 0.601 0.955 0.591 CB 1.429 23 residues pruned to eliminate duplicates Z: 55 35.673 2.052 0.872 0.502 0.907 0.519 CB 1.390 55 residues pruned to eliminate duplicates Z: 26 27.355 2.119 0.908 0.550 0.840 0.640 CB 1.534 26 residues pruned to eliminate duplicates Z: 14 15.322 1.774 0.495 0.901 1.000 1.000 CA 1.144 14 residues pruned to eliminate duplicates Z: 7 3.081 1.427 0.458 0.437 1.000 0.667 CB 0.645 Z: 12 14.624 1.893 0.176 0.922 1.000 1.000 CB 1.394 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 5.414 1.684 0.280 0.466 1.000 0.667 CB 1.061 Z: 12 24.111 2.120 0.871 0.784 0.909 0.636 CB 1.570 12 residues pruned to eliminate duplicates Z: 12 18.175 2.133 0.710 0.679 0.909 0.727 CA 1.402 12 residues pruned to eliminate duplicates Z: 13 21.454 2.109 0.720 0.712 0.917 0.667 CA 1.537 13 residues pruned to eliminate duplicates Z: 13 21.635 2.272 0.578 0.691 1.000 0.750 CB 1.462 13 residues pruned to eliminate duplicates Z: 14 21.296 2.179 0.785 0.657 0.923 0.615 CB 1.422 14 residues pruned to eliminate duplicates Z: 14 19.729 2.119 0.794 0.656 0.923 0.615 CB 1.349 14 residues pruned to eliminate duplicates Z: 34 23.432 2.104 0.502 0.487 0.879 0.606 CA 1.488 12 residues pruned to eliminate duplicates Z: 13 18.199 2.064 0.553 0.837 0.917 0.500 CA 1.338 13 residues pruned to eliminate duplicates Z: 14 19.621 2.139 0.507 0.705 0.923 0.769 CA 1.519 14 residues pruned to eliminate duplicates Z: 12 24.539 2.259 0.687 0.772 1.000 0.727 CA 1.527 12 residues pruned to eliminate duplicates Z: 14 20.165 2.098 0.576 0.677 1.000 0.615 CB 1.437 14 residues pruned to eliminate duplicates Z: 15 15.884 1.937 0.533 0.588 0.857 0.357 CB 1.534 14 residues pruned to eliminate duplicates Z: 13 16.985 1.941 0.507 0.680 0.917 0.750 CB 1.549 13 residues pruned to eliminate duplicates Z: 14 15.238 2.036 0.424 0.593 0.846 0.385 CB 1.576 15 residues pruned to eliminate duplicates Z: 11 16.103 1.894 0.629 0.872 1.000 0.700 CB 1.203 11 residues pruned to eliminate duplicates Z: 13 14.079 2.056 0.526 0.635 0.750 0.417 CB 1.522 13 residues pruned to eliminate duplicates Z: 16 13.084 1.910 0.354 0.584 0.800 0.267 CB 1.506 16 residues pruned to eliminate duplicates Z: 22 13.956 1.912 0.471 0.508 0.810 0.429 CB 1.327 22 residues pruned to eliminate duplicates Z: 15 13.461 1.934 0.484 0.596 0.857 0.643 CB 1.335 15 residues pruned to eliminate duplicates Z: 18 14.060 1.920 0.371 0.580 0.824 0.294 CB 1.457 18 residues pruned to eliminate duplicates Z: 25 14.466 1.896 0.285 0.462 0.917 0.542 CB 1.375 25 residues pruned to eliminate duplicates Z: 16 11.732 1.826 0.358 0.574 0.867 0.467 CB 1.312 16 residues pruned to eliminate duplicates Z: 15 13.925 1.832 0.417 0.678 0.857 0.571 CB 1.420 15 residues pruned to eliminate duplicates Z: 71 33.904 2.104 0.623 0.453 0.871 0.614 CB 1.429 71 residues pruned to eliminate duplicates Z: 40 26.821 2.071 0.629 0.596 0.923 0.667 CB 1.258 40 residues pruned to eliminate duplicates Z: 84 50.685 2.165 0.705 0.646 0.976 0.687 CB 1.347 84 residues pruned to eliminate duplicates Z: 118 65.514 2.189 0.804 0.582 0.949 0.624 CB 1.495 118 residues pruned to eliminate duplicates Z: 56 31.042 2.084 0.556 0.635 0.927 0.636 CB 1.227 56 residues pruned to eliminate duplicates Z: 102 50.462 2.127 0.790 0.553 0.921 0.584 CB 1.360 102 residues pruned to eliminate duplicates Z: 32 31.496 2.119 0.680 0.648 1.000 0.677 CB 1.384 32 residues pruned to eliminate duplicates Z: 50 33.556 2.047 0.748 0.689 0.918 0.612 CB 1.227 50 residues pruned to eliminate duplicates Z: 71 41.295 2.102 0.787 0.487 0.929 0.557 CB 1.434 71 residues pruned to eliminate duplicates Z: 70 41.942 2.128 0.835 0.482 0.899 0.594 CB 1.466 70 residues pruned to eliminate duplicates Z: 34 31.212 2.080 0.831 0.605 0.939 0.667 CB 1.374 34 residues pruned to eliminate duplicates Z: 68 38.070 2.074 0.731 0.471 0.910 0.582 CB 1.466 68 residues pruned to eliminate duplicates Z: 29 22.241 2.026 0.681 0.522 0.893 0.571 CB 1.352 29 residues pruned to eliminate duplicates Z: 57 38.122 2.142 0.801 0.446 0.929 0.607 CB 1.504 57 residues pruned to eliminate duplicates Z: 27 23.277 2.059 0.830 0.513 0.923 0.538 CB 1.295 27 residues pruned to eliminate duplicates Z: 27 24.925 2.031 0.985 0.567 0.885 0.577 CB 1.285 27 residues pruned to eliminate duplicates Z: 27 24.808 2.043 0.819 0.552 0.962 0.615 CB 1.294 27 residues pruned to eliminate duplicates Z: 15 8.621 1.798 0.598 0.383 0.786 0.500 CB 1.156 15 residues pruned to eliminate duplicates Z: 26 25.995 2.127 1.170 0.401 0.840 0.480 CB 1.487 26 residues pruned to eliminate duplicates Z: 18 9.818 1.811 0.679 0.404 0.765 0.353 CB 1.133 18 residues pruned to eliminate duplicates Z: 24 25.632 2.038 1.049 0.485 0.870 0.565 CA 1.495 24 residues pruned to eliminate duplicates Z: 6 12.866 2.288 1.025 0.589 0.800 0.600 CB 1.425 6 residues pruned to eliminate duplicates Z: 6 12.729 2.254 1.188 0.552 0.800 0.600 CA 1.371 6 residues pruned to eliminate duplicates Z: 26 28.010 2.042 1.068 0.510 0.920 0.760 CB 1.427 26 residues pruned to eliminate duplicates Z: 24 26.716 2.111 1.026 0.572 0.870 0.696 CA 1.398 24 residues pruned to eliminate duplicates Z: 59 41.446 2.140 0.783 0.631 0.879 0.672 CB 1.434 59 residues pruned to eliminate duplicates Z: 23 26.756 2.123 0.886 0.582 0.909 0.773 CA 1.449 23 residues pruned to eliminate duplicates Z: 81 53.572 2.170 0.792 0.669 0.950 0.738 CB 1.387 81 residues pruned to eliminate duplicates Z: 38 41.055 2.173 0.833 0.633 0.919 0.703 CA 1.628 39 residues pruned to eliminate duplicates Z: 6 4.386 1.949 0.319 0.396 0.800 0.600 CA 1.065 6 residues pruned to eliminate duplicates Z: 107 59.004 2.122 0.842 0.650 0.906 0.575 CB 1.408 107 residues pruned to eliminate duplicates Z: 22 32.561 2.163 1.009 0.554 1.000 0.619 CB 1.552 22 residues pruned to eliminate duplicates Z: 83 52.794 2.144 0.820 0.663 0.915 0.707 CB 1.405 85 residues pruned to eliminate duplicates Z: 13 19.061 1.937 0.815 0.821 0.917 0.500 CA 1.292 13 residues pruned to eliminate duplicates Z: 81 55.104 2.169 0.884 0.667 0.913 0.613 CB 1.416 81 residues pruned to eliminate duplicates Z: 31 19.130 1.917 0.732 0.477 0.833 0.467 CA 1.292 31 residues pruned to eliminate duplicates Z: 19 23.393 2.099 0.933 0.487 0.889 0.778 CA 1.549 19 residues pruned to eliminate duplicates Z: 80 46.193 2.118 0.754 0.602 0.937 0.557 CB 1.355 80 residues pruned to eliminate duplicates Z: 84 46.685 2.123 0.773 0.621 0.904 0.578 CB 1.344 84 residues pruned to eliminate duplicates Z: 136 66.937 2.180 0.808 0.567 0.941 0.607 CB 1.456 136 residues pruned to eliminate duplicates Z: 120 60.894 2.151 0.792 0.568 0.941 0.588 CB 1.441 120 residues pruned to eliminate duplicates Z: 63 43.451 2.123 0.754 0.688 0.919 0.645 CB 1.356 63 residues pruned to eliminate duplicates Z: 62 42.639 2.154 0.724 0.679 0.918 0.639 CB 1.358 62 residues pruned to eliminate duplicates Z: 88 50.795 2.130 0.724 0.640 0.943 0.575 CB 1.380 88 residues pruned to eliminate duplicates Z: 60 38.451 2.120 0.608 0.655 0.932 0.712 CB 1.363 60 residues pruned to eliminate duplicates Z: 85 50.175 2.129 0.848 0.617 0.917 0.524 CB 1.360 85 residues pruned to eliminate duplicates Z: 81 52.797 2.178 0.778 0.662 0.913 0.600 CB 1.437 81 residues pruned to eliminate duplicates Z: 70 47.752 2.146 0.775 0.690 0.928 0.638 CB 1.367 70 residues pruned to eliminate duplicates Z: 86 50.723 2.170 0.721 0.675 0.918 0.600 CB 1.366 86 residues pruned to eliminate duplicates Z: 104 59.160 2.150 0.864 0.620 0.942 0.612 CB 1.379 102 residues pruned to eliminate duplicates Z: 13 30.327 2.340 0.559 0.917 0.917 0.833 CA 1.847 13 residues pruned to eliminate duplicates Z: 51 42.187 2.251 0.792 0.598 0.900 0.600 CB 1.496 51 residues pruned to eliminate duplicates Z: 114 56.818 2.150 0.827 0.543 0.903 0.540 CB 1.445 114 residues pruned to eliminate duplicates Z: 32 36.331 2.195 0.690 0.614 1.000 0.645 CB 1.579 32 residues pruned to eliminate duplicates Z: 135 62.361 2.148 0.818 0.559 0.903 0.560 CB 1.443 135 residues pruned to eliminate duplicates Z: 78 48.311 2.138 0.766 0.633 0.948 0.662 CB 1.357 78 residues pruned to eliminate duplicates Z: 71 58.779 2.218 0.915 0.669 0.957 0.700 CB 1.478 71 residues pruned to eliminate duplicates Z: 119 56.766 2.139 0.784 0.558 0.915 0.551 CB 1.414 119 residues pruned to eliminate duplicates Z: 76 48.983 2.141 0.841 0.622 0.907 0.587 CB 1.411 76 residues pruned to eliminate duplicates Z: 134 62.574 2.162 0.814 0.570 0.895 0.586 CB 1.445 134 residues pruned to eliminate duplicates Z: 58 52.050 2.220 0.949 0.656 0.912 0.614 CB 1.512 58 residues pruned to eliminate duplicates Z: 21 22.102 2.190 0.630 0.513 0.800 0.350 CB 1.707 21 residues pruned to eliminate duplicates Z: 45 31.410 2.087 0.838 0.650 0.886 0.568 CB 1.211 45 residues pruned to eliminate duplicates Z: 105 52.098 2.104 0.833 0.542 0.933 0.567 CB 1.364 105 residues pruned to eliminate duplicates Z: 101 54.655 2.133 0.883 0.568 0.930 0.590 CB 1.369 101 residues pruned to eliminate duplicates Z: 71 42.410 2.071 0.813 0.653 0.929 0.671 CB 1.261 71 residues pruned to eliminate duplicates Z: 46 32.261 2.125 0.785 0.667 0.911 0.578 CB 1.192 46 residues pruned to eliminate duplicates Z: 118 62.212 2.144 0.863 0.572 0.940 0.564 CB 1.428 118 residues pruned to eliminate duplicates Z: 22 26.581 2.143 0.967 0.598 0.952 0.714 CB 1.316 22 residues pruned to eliminate duplicates Z: 99 45.922 2.113 0.807 0.502 0.888 0.653 CB 1.366 99 residues pruned to eliminate duplicates Z: 50 37.008 2.062 0.894 0.711 0.939 0.673 CB 1.191 50 residues pruned to eliminate duplicates Z: 46 34.004 2.125 0.836 0.709 0.911 0.622 CB 1.180 46 residues pruned to eliminate duplicates Z: 46 34.007 2.114 0.838 0.663 0.911 0.711 CB 1.231 46 residues pruned to eliminate duplicates Z: 51 32.634 2.023 0.853 0.634 0.920 0.460 CB 1.180 51 residues pruned to eliminate duplicates Z: 47 33.519 2.088 0.748 0.673 0.935 0.717 CB 1.235 47 residues pruned to eliminate duplicates Z: 103 51.326 2.098 0.785 0.582 0.902 0.539 CB 1.391 103 residues pruned to eliminate duplicates Z: 102 50.892 2.132 0.774 0.542 0.931 0.574 CB 1.380 102 residues pruned to eliminate duplicates Z: 97 50.667 2.117 0.837 0.510 0.938 0.615 CB 1.404 97 residues pruned to eliminate duplicates Z: 58 35.458 2.091 0.681 0.618 0.930 0.614 CB 1.285 58 residues pruned to eliminate duplicates Z: 101 50.125 2.135 0.747 0.548 0.920 0.610 CB 1.394 101 residues pruned to eliminate duplicates Z: 73 39.573 2.066 0.650 0.638 0.944 0.681 CB 1.274 73 residues pruned to eliminate duplicates Z: 62 42.984 2.157 0.653 0.689 0.934 0.607 CB 1.390 62 residues pruned to eliminate duplicates Z: 83 47.503 2.134 0.762 0.625 0.890 0.585 CB 1.393 83 residues pruned to eliminate duplicates Z: 106 58.087 2.171 0.754 0.633 0.943 0.667 CB 1.393 108 residues pruned to eliminate duplicates Z: 6 6.992 1.883 0.142 0.434 1.000 0.600 CB 1.557 6 residues pruned to eliminate duplicates Z: 58 39.208 2.136 0.814 0.445 0.930 0.561 CB 1.525 58 residues pruned to eliminate duplicates Z: 22 28.116 2.153 0.785 0.548 1.000 0.667 CB 1.524 22 residues pruned to eliminate duplicates Z: 51 41.030 2.217 0.829 0.446 0.940 0.560 CB 1.608 51 residues pruned to eliminate duplicates Z: 57 34.177 2.114 0.779 0.372 0.893 0.518 CB 1.561 57 residues pruned to eliminate duplicates Z: 100 55.933 2.156 0.891 0.562 0.909 0.636 CB 1.428 100 residues pruned to eliminate duplicates Z: 27 24.870 2.076 0.878 0.505 0.923 0.500 CB 1.348 27 residues pruned to eliminate duplicates Z: 24 22.963 2.113 0.752 0.464 0.957 0.522 CB 1.403 24 residues pruned to eliminate duplicates Z: 33 33.639 2.114 0.930 0.619 0.969 0.812 CB 1.344 33 residues pruned to eliminate duplicates Z: 56 32.211 2.108 0.779 0.403 0.855 0.582 CB 1.501 56 residues pruned to eliminate duplicates Z: 101 52.751 2.135 0.819 0.544 0.920 0.550 CB 1.413 101 residues pruned to eliminate duplicates Z: 69 37.699 2.118 0.818 0.438 0.912 0.559 CB 1.388 69 residues pruned to eliminate duplicates Z: 65 42.278 2.148 0.798 0.485 0.906 0.641 CB 1.532 65 residues pruned to eliminate duplicates Z: 69 39.548 2.109 0.828 0.421 0.941 0.618 CB 1.436 69 residues pruned to eliminate duplicates Z: 101 42.488 2.070 0.839 0.512 0.840 0.530 CB 1.313 101 residues pruned to eliminate duplicates Z: 58 38.448 2.140 0.777 0.428 0.930 0.544 CB 1.552 58 residues pruned to eliminate duplicates Z: 98 46.619 2.098 0.816 0.487 0.907 0.515 CB 1.388 98 residues pruned to eliminate duplicates Z: 26 26.501 2.099 0.964 0.334 0.960 0.480 CB 1.607 26 residues pruned to eliminate duplicates Z: 102 54.047 2.131 0.852 0.545 0.941 0.545 CB 1.387 102 residues pruned to eliminate duplicates Z: 45 35.415 2.137 0.854 0.447 0.932 0.659 CB 1.528 45 residues pruned to eliminate duplicates Z: 90 49.060 2.118 0.889 0.517 0.933 0.539 CB 1.371 90 residues pruned to eliminate duplicates Z: 100 51.677 2.148 0.764 0.499 0.929 0.596 CB 1.476 100 residues pruned to eliminate duplicates Z: 46 29.029 2.067 0.718 0.355 0.889 0.622 CA 1.603 46 residues pruned to eliminate duplicates Z: 76 40.556 2.073 0.803 0.475 0.907 0.573 CB 1.417 76 residues pruned to eliminate duplicates Z: 99 51.719 2.130 0.738 0.534 0.959 0.673 CB 1.423 99 residues pruned to eliminate duplicates Z: 49 35.324 2.143 0.880 0.444 0.875 0.583 CB 1.532 49 residues pruned to eliminate duplicates Z: 64 43.479 2.132 0.869 0.468 0.937 0.556 CB 1.517 64 residues pruned to eliminate duplicates Z: 63 39.236 2.093 0.901 0.439 0.887 0.629 CB 1.503 63 residues pruned to eliminate duplicates Z: 61 38.300 2.117 0.840 0.424 0.917 0.550 CB 1.498 61 residues pruned to eliminate duplicates Z: 57 38.907 2.107 0.823 0.417 0.946 0.536 CB 1.560 57 residues pruned to eliminate duplicates Z: 58 40.464 2.149 0.859 0.441 0.930 0.632 CB 1.534 58 residues pruned to eliminate duplicates Z: 53 40.229 2.184 0.829 0.428 0.942 0.596 CB 1.597 53 residues pruned to eliminate duplicates Z: 60 41.230 2.139 0.867 0.438 0.915 0.559 CB 1.566 60 residues pruned to eliminate duplicates Z: 65 45.308 2.139 0.847 0.493 0.969 0.641 CB 1.489 65 residues pruned to eliminate duplicates Z: 71 41.277 2.101 0.824 0.481 0.914 0.586 CB 1.435 71 residues pruned to eliminate duplicates Z: 53 36.524 2.169 0.776 0.400 0.942 0.558 CB 1.550 53 residues pruned to eliminate duplicates Z: 63 38.506 2.091 0.849 0.410 0.903 0.500 CB 1.539 63 residues pruned to eliminate duplicates Z: 53 39.972 2.177 0.828 0.447 0.942 0.615 CB 1.561 53 residues pruned to eliminate duplicates Z: 55 37.498 2.165 0.782 0.429 0.870 0.537 CB 1.636 55 residues pruned to eliminate duplicates Z: 32 30.489 2.217 0.793 0.375 0.935 0.581 CA 1.683 32 residues pruned to eliminate duplicates Z: 34 28.020 2.162 0.735 0.366 0.939 0.576 CA 1.598 34 residues pruned to eliminate duplicates Z: 63 40.392 2.065 0.878 0.480 0.903 0.581 CB 1.494 63 residues pruned to eliminate duplicates Z: 95 48.356 2.147 0.807 0.522 0.894 0.617 CB 1.408 95 residues pruned to eliminate duplicates Z: 31 30.339 2.216 0.798 0.377 0.933 0.533 CA 1.699 31 residues pruned to eliminate duplicates Z: 30 18.956 1.920 0.420 0.549 0.862 0.586 CB 1.428 30 residues pruned to eliminate duplicates Z: 34 16.718 1.911 0.261 0.518 0.879 0.576 CB 1.350 34 residues pruned to eliminate duplicates Z: 15 10.207 1.941 0.188 0.476 0.857 0.643 CA 1.415 15 residues pruned to eliminate duplicates Z: 30 17.405 1.958 0.327 0.581 0.897 0.621 CB 1.284 30 residues pruned to eliminate duplicates Z: 41 14.854 1.857 0.237 0.518 0.825 0.575 CB 1.217 41 residues pruned to eliminate duplicates Z: 15 10.758 1.935 0.317 0.456 0.857 0.500 CB 1.377 15 residues pruned to eliminate duplicates Z: 17 14.813 1.824 0.404 0.765 1.000 0.688 CB 1.143 17 residues pruned to eliminate duplicates Z: 19 10.639 1.796 0.237 0.387 0.944 0.389 CB 1.347 19 residues pruned to eliminate duplicates Z: 38 16.042 1.770 0.438 0.442 0.892 0.432 CB 1.234 63 residues pruned to eliminate duplicates Z: 11 15.216 1.895 0.766 0.852 1.000 0.700 CB 1.063 11 residues pruned to eliminate duplicates Z: 22 14.077 1.858 0.496 0.527 0.857 0.429 CB 1.256 22 residues pruned to eliminate duplicates Z: 38 22.105 1.903 0.524 0.567 0.919 0.595 CB 1.278 38 residues pruned to eliminate duplicates Z: 11 18.384 1.933 0.804 0.818 1.000 0.800 CA 1.265 11 residues pruned to eliminate duplicates Z: 25 15.134 1.813 0.343 0.581 0.958 0.667 CB 1.225 24 residues pruned to eliminate duplicates Z: 11 16.285 1.901 0.830 0.809 1.000 0.700 CA 1.130 11 residues pruned to eliminate duplicates Z: 20 14.270 1.851 0.406 0.660 1.000 0.632 CB 1.084 20 residues pruned to eliminate duplicates Z: 15 14.522 1.782 0.634 0.741 1.000 0.786 CB 1.074 15 residues pruned to eliminate duplicates Z: 6 4.757 1.429 0.291 0.795 1.000 0.400 CB 0.890 5 residues pruned to eliminate duplicates Z: 6 3.736 1.536 0.397 0.806 0.800 0.800 CB 0.746 6 residues pruned to eliminate duplicates Z: 63 46.750 2.132 0.836 0.672 0.952 0.516 CB 1.360 63 residues pruned to eliminate duplicates Z: 22 18.833 1.890 0.737 0.502 0.952 0.524 CA 1.312 22 residues pruned to eliminate duplicates Z: 55 27.649 2.051 0.628 0.527 0.852 0.481 CB 1.287 55 residues pruned to eliminate duplicates Z: 17 21.004 2.181 0.691 0.496 0.938 0.375 CA 1.525 17 residues pruned to eliminate duplicates Z: 12 29.147 2.270 1.001 0.689 1.000 0.545 CA 1.628 12 residues pruned to eliminate duplicates Z: 15 20.171 2.106 0.713 0.561 0.857 0.571 CA 1.643 15 residues pruned to eliminate duplicates Z: 27 27.188 2.124 0.745 0.598 0.885 0.808 CB 1.482 27 residues pruned to eliminate duplicates Z: 95 55.494 2.106 0.840 0.646 0.883 0.606 CB 1.459 95 residues pruned to eliminate duplicates Z: 59 48.386 2.201 0.899 0.702 0.897 0.569 CB 1.411 59 residues pruned to eliminate duplicates Z: 18 24.499 2.205 0.820 0.537 0.941 0.588 CA 1.517 18 residues pruned to eliminate duplicates Z: 61 49.891 2.184 0.903 0.689 0.917 0.583 CB 1.421 61 residues pruned to eliminate duplicates Z: 20 18.939 2.164 0.657 0.509 0.842 0.579 CB 1.426 20 residues pruned to eliminate duplicates Z: 27 18.917 2.012 0.521 0.463 0.885 0.538 CB 1.423 27 residues pruned to eliminate duplicates Z: 14 22.621 2.209 0.631 0.677 0.923 0.769 CB 1.603 14 residues pruned to eliminate duplicates Z: 57 45.694 2.123 1.004 0.695 0.911 0.661 CB 1.319 57 residues pruned to eliminate duplicates Z: 58 43.843 2.090 0.879 0.695 0.947 0.579 CB 1.306 58 residues pruned to eliminate duplicates Z: 14 13.265 2.106 0.439 0.783 0.846 0.385 CB 1.118 14 residues pruned to eliminate duplicates Z: 50 44.984 2.152 0.954 0.729 0.918 0.531 CB 1.353 50 residues pruned to eliminate duplicates Z: 53 42.507 2.102 0.982 0.667 0.904 0.577 CB 1.342 53 residues pruned to eliminate duplicates Z: 47 42.612 2.174 0.884 0.697 0.913 0.609 CB 1.404 47 residues pruned to eliminate duplicates Z: 68 36.272 1.988 0.733 0.634 0.896 0.612 CB 1.267 68 residues pruned to eliminate duplicates Z: 48 41.340 2.100 1.003 0.700 0.936 0.511 CB 1.276 48 residues pruned to eliminate duplicates Z: 59 44.877 2.101 0.922 0.684 0.931 0.638 CB 1.323 59 residues pruned to eliminate duplicates Z: 61 51.811 2.177 0.975 0.681 0.917 0.517 CB 1.437 61 residues pruned to eliminate duplicates Z: 48 37.764 2.145 0.906 0.689 0.872 0.532 CB 1.299 48 residues pruned to eliminate duplicates Z: 48 43.450 2.162 0.947 0.713 0.915 0.617 CB 1.356 48 residues pruned to eliminate duplicates Z: 127 57.861 2.075 0.862 0.552 0.889 0.556 CB 1.426 127 residues pruned to eliminate duplicates Z: 57 45.306 2.138 0.903 0.682 0.929 0.607 CB 1.356 57 residues pruned to eliminate duplicates Z: 60 52.456 2.193 0.928 0.682 0.932 0.559 CB 1.465 60 residues pruned to eliminate duplicates Z: 33 32.536 2.146 0.958 0.688 0.781 0.625 CB 1.475 33 residues pruned to eliminate duplicates Z: 55 43.425 2.099 0.979 0.662 0.944 0.593 CB 1.297 55 residues pruned to eliminate duplicates Z: 73 40.298 1.997 0.930 0.518 0.875 0.583 CB 1.383 73 residues pruned to eliminate duplicates Z: 58 50.602 2.165 0.856 0.712 0.930 0.684 CB 1.481 58 residues pruned to eliminate duplicates Z: 36 37.975 2.124 0.930 0.656 0.943 0.514 CB 1.436 36 residues pruned to eliminate duplicates Z: 92 54.372 2.128 0.811 0.626 0.879 0.505 CB 1.495 92 residues pruned to eliminate duplicates Z: 48 40.135 2.089 0.911 0.693 0.957 0.574 CB 1.283 48 residues pruned to eliminate duplicates Z: 81 51.432 2.113 0.805 0.666 0.925 0.637 CB 1.399 81 residues pruned to eliminate duplicates Z: 49 40.250 2.149 0.998 0.695 0.854 0.625 CB 1.326 49 residues pruned to eliminate duplicates Z: 96 54.622 2.105 0.826 0.629 0.895 0.505 CB 1.442 96 residues pruned to eliminate duplicates Z: 48 47.845 2.154 1.055 0.703 0.979 0.489 CB 1.339 48 residues pruned to eliminate duplicates Z: 94 46.981 2.059 0.761 0.573 0.903 0.613 CB 1.386 94 residues pruned to eliminate duplicates Z: 50 40.973 2.122 0.894 0.681 0.959 0.592 CB 1.285 50 residues pruned to eliminate duplicates Z: 80 59.288 2.153 0.874 0.682 0.949 0.658 CB 1.473 80 residues pruned to eliminate duplicates Z: 39 39.623 2.098 1.087 0.636 0.895 0.605 CB 1.445 39 residues pruned to eliminate duplicates Z: 50 45.046 2.107 0.965 0.709 0.959 0.551 CB 1.340 50 residues pruned to eliminate duplicates Z: 47 46.403 2.182 0.946 0.714 0.957 0.717 CB 1.388 47 residues pruned to eliminate duplicates Z: 47 45.197 2.179 0.897 0.715 0.957 0.739 CB 1.387 47 residues pruned to eliminate duplicates Z: 46 46.166 2.193 0.874 0.740 0.956 0.733 CB 1.413 46 residues pruned to eliminate duplicates Z: 69 49.608 2.077 0.778 0.640 0.956 0.603 CB 1.496 69 residues pruned to eliminate duplicates Z: 48 47.131 2.171 0.926 0.728 0.957 0.596 CB 1.398 48 residues pruned to eliminate duplicates Z: 123 56.208 2.077 0.839 0.561 0.910 0.566 CB 1.380 122 residues pruned to eliminate duplicates Z: 17 29.690 2.011 0.973 0.867 1.000 0.812 CA 1.369 17 residues pruned to eliminate duplicates Z: 40 35.016 2.109 0.837 0.648 0.897 0.692 CA 1.404 40 residues pruned to eliminate duplicates Z: 66 44.133 2.099 0.803 0.655 0.892 0.600 CB 1.403 66 residues pruned to eliminate duplicates Z: 51 41.067 2.067 0.764 0.695 0.920 0.700 CB 1.449 51 residues pruned to eliminate duplicates Z: 85 54.553 2.120 0.822 0.663 0.929 0.607 CB 1.427 85 residues pruned to eliminate duplicates Z: 69 44.165 2.102 0.668 0.639 0.912 0.676 CB 1.471 69 residues pruned to eliminate duplicates Z: 82 48.673 2.110 0.749 0.654 0.889 0.580 CB 1.429 82 residues pruned to eliminate duplicates Z: 83 53.226 2.123 0.744 0.672 0.927 0.622 CB 1.462 83 residues pruned to eliminate duplicates Z: 85 54.444 2.115 0.836 0.657 0.940 0.667 CB 1.406 85 residues pruned to eliminate duplicates Z: 98 51.613 2.075 0.836 0.550 0.887 0.598 CB 1.477 98 residues pruned to eliminate duplicates Z: 40 36.727 2.124 0.818 0.652 0.897 0.564 CB 1.474 40 residues pruned to eliminate duplicates Z: 39 28.449 2.026 0.785 0.615 0.816 0.368 CB 1.403 39 residues pruned to eliminate duplicates Z: 85 52.947 2.101 0.782 0.657 0.929 0.548 CB 1.436 85 residues pruned to eliminate duplicates Z: 80 53.976 2.142 0.835 0.670 0.899 0.506 CB 1.469 80 residues pruned to eliminate duplicates Z: 57 38.977 2.085 0.946 0.498 0.929 0.500 CB 1.384 57 residues pruned to eliminate duplicates Z: 97 59.722 2.106 0.850 0.669 0.948 0.594 CB 1.412 97 residues pruned to eliminate duplicates Z: 30 32.873 2.060 0.809 0.612 1.000 0.552 CB 1.474 30 residues pruned to eliminate duplicates Z: 60 37.976 2.073 0.926 0.492 0.881 0.441 CB 1.416 60 residues pruned to eliminate duplicates Z: 31 33.444 2.087 0.927 0.608 0.867 0.567 CB 1.581 31 residues pruned to eliminate duplicates Z: 78 57.999 2.135 0.905 0.691 0.935 0.688 CB 1.460 78 residues pruned to eliminate duplicates Z: 63 34.407 2.041 0.702 0.480 0.903 0.468 CB 1.421 63 residues pruned to eliminate duplicates Z: 37 29.442 1.989 0.883 0.590 0.889 0.444 CB 1.353 37 residues pruned to eliminate duplicates Z: 97 58.089 2.119 0.866 0.634 0.906 0.594 CB 1.459 97 residues pruned to eliminate duplicates Z: 81 53.876 2.106 0.868 0.680 0.938 0.637 CB 1.384 81 residues pruned to eliminate duplicates Z: 111 55.583 2.096 0.849 0.598 0.927 0.591 CB 1.343 111 residues pruned to eliminate duplicates Z: 44 27.191 1.945 0.722 0.572 0.860 0.512 CB 1.342 44 residues pruned to eliminate duplicates Z: 109 56.179 2.117 0.900 0.582 0.917 0.500 CB 1.356 109 residues pruned to eliminate duplicates Z: 73 50.162 2.076 0.787 0.662 0.958 0.681 CB 1.431 73 residues pruned to eliminate duplicates Z: 93 51.594 2.126 0.847 0.566 0.891 0.609 CB 1.443 93 residues pruned to eliminate duplicates Z: 33 31.866 2.070 0.788 0.615 0.906 0.562 CB 1.506 33 residues pruned to eliminate duplicates Z: 56 43.536 2.118 0.901 0.520 0.927 0.455 CB 1.542 56 residues pruned to eliminate duplicates Z: 106 56.808 2.100 0.797 0.633 0.914 0.581 CB 1.419 106 residues pruned to eliminate duplicates Z: 50 34.335 2.085 0.964 0.406 0.898 0.469 CB 1.473 50 residues pruned to eliminate duplicates Z: 60 43.530 2.090 0.895 0.501 0.966 0.542 CB 1.480 60 residues pruned to eliminate duplicates Z: 6 8.346 1.805 0.273 0.646 1.000 0.600 N 1.418 6 residues pruned to eliminate duplicates Z: 47 35.330 2.114 0.895 0.443 0.935 0.478 CB 1.476 47 residues pruned to eliminate duplicates Z: 109 56.667 2.095 0.893 0.595 0.907 0.657 CB 1.383 109 residues pruned to eliminate duplicates Z: 98 53.699 2.100 0.857 0.556 0.897 0.577 CB 1.477 98 residues pruned to eliminate duplicates Z: 103 55.605 2.125 0.793 0.592 0.912 0.598 CB 1.452 103 residues pruned to eliminate duplicates Z: 93 57.149 2.124 0.880 0.589 0.935 0.652 CB 1.466 93 residues pruned to eliminate duplicates Z: 34 32.493 2.045 0.744 0.620 0.970 0.606 CB 1.460 34 residues pruned to eliminate duplicates Z: 61 42.461 2.077 0.807 0.498 0.950 0.517 CB 1.541 60 residues pruned to eliminate duplicates Z: 11 10.910 1.662 0.635 0.662 0.900 0.500 CB 1.214 11 residues pruned to eliminate duplicates Z: 112 52.933 2.097 0.764 0.559 0.883 0.541 CB 1.452 112 residues pruned to eliminate duplicates Z: 60 41.586 2.066 0.844 0.496 0.949 0.559 CB 1.502 62 residues pruned to eliminate duplicates Z: 17 12.570 1.883 0.434 0.500 0.875 0.500 CB 1.330 17 residues pruned to eliminate duplicates Z: 110 57.493 2.113 0.826 0.586 0.917 0.633 CB 1.432 110 residues pruned to eliminate duplicates Z: 96 55.687 2.096 0.844 0.569 0.926 0.558 CB 1.492 96 residues pruned to eliminate duplicates Z: 111 56.468 2.099 0.767 0.572 0.927 0.655 CB 1.460 111 residues pruned to eliminate duplicates Z: 33 25.371 2.086 0.936 0.437 0.844 0.500 CB 1.405 33 residues pruned to eliminate duplicates Z: 33 25.971 2.105 0.826 0.387 0.906 0.438 CB 1.486 33 residues pruned to eliminate duplicates Z: 34 25.122 2.007 0.728 0.422 0.939 0.515 CB 1.456 34 residues pruned to eliminate duplicates Z: 26 25.627 2.135 1.103 0.402 0.920 0.560 CB 1.376 28 residues pruned to eliminate duplicates Z: 8 7.489 1.857 0.699 0.352 0.857 0.429 CB 1.229 8 residues pruned to eliminate duplicates Z: 113 56.498 2.090 0.881 0.554 0.911 0.500 CB 1.415 111 residues pruned to eliminate duplicates Z: 8 6.556 1.682 0.397 0.462 1.000 0.714 CA 1.096 8 residues pruned to eliminate duplicates Z: 50 36.582 2.087 0.860 0.438 0.939 0.551 CB 1.528 50 residues pruned to eliminate duplicates Z: 58 40.513 2.107 0.843 0.511 0.947 0.544 CB 1.442 60 residues pruned to eliminate duplicates Z: 6 4.367 1.956 0.796 0.191 0.800 0.200 CA 1.006 6 residues pruned to eliminate duplicates Z: 27 27.554 2.056 1.134 0.435 0.923 0.500 CB 1.426 25 residues pruned to eliminate duplicates Z: 6 5.158 1.578 0.954 0.472 1.000 0.600 CA 0.770 6 residues pruned to eliminate duplicates Z: 20 24.307 2.141 0.848 0.577 0.895 0.526 CA 1.464 20 residues pruned to eliminate duplicates Z: 15 13.661 1.961 0.442 0.616 0.786 0.500 CA 1.473 15 residues pruned to eliminate duplicates Z: 21 29.696 2.132 0.894 0.573 0.950 0.550 CA 1.614 20 residues pruned to eliminate duplicates Z: 11 24.616 2.106 0.791 0.808 1.000 0.400 CA 1.578 11 residues pruned to eliminate duplicates Z: 21 19.277 2.020 0.721 0.475 0.850 0.550 CA 1.496 21 residues pruned to eliminate duplicates Z: 22 24.158 2.040 0.875 0.522 0.905 0.524 CA 1.490 22 residues pruned to eliminate duplicates Z: 20 22.192 2.140 0.736 0.575 0.895 0.632 CA 1.425 20 residues pruned to eliminate duplicates Z: 20 26.526 2.180 0.694 0.578 0.947 0.579 CB 1.615 21 residues pruned to eliminate duplicates Z: 12 17.212 2.062 0.565 0.768 0.909 0.727 CA 1.395 12 residues pruned to eliminate duplicates Z: 21 19.932 2.062 0.657 0.562 0.800 0.500 CB 1.535 21 residues pruned to eliminate duplicates Z: 20 25.287 2.131 0.791 0.591 0.947 0.526 CA 1.471 20 residues pruned to eliminate duplicates Z: 20 31.096 2.179 0.918 0.603 0.947 0.526 CA 1.634 20 residues pruned to eliminate duplicates Z: 20 29.259 2.138 0.928 0.569 0.947 0.421 CB 1.609 20 residues pruned to eliminate duplicates Z: 28 27.119 2.086 0.702 0.522 0.926 0.519 CB 1.553 28 residues pruned to eliminate duplicates Z: 28 24.374 2.083 0.637 0.522 0.889 0.593 CB 1.514 28 residues pruned to eliminate duplicates Z: 33 25.998 2.006 0.706 0.585 0.875 0.562 CB 1.415 33 residues pruned to eliminate duplicates Z: 30 25.141 2.025 0.648 0.587 0.931 0.483 CB 1.382 30 residues pruned to eliminate duplicates Z: 41 32.766 2.080 0.713 0.525 0.900 0.575 CB 1.577 40 residues pruned to eliminate duplicates Z: 12 19.307 1.888 1.272 0.874 0.818 0.182 CA 1.207 12 residues pruned to eliminate duplicates Z: 29 25.958 2.074 0.811 0.478 0.857 0.500 CB 1.557 29 residues pruned to eliminate duplicates Z: 34 21.194 1.954 0.579 0.561 0.848 0.485 CB 1.329 34 residues pruned to eliminate duplicates Z: 33 28.834 2.004 0.795 0.575 0.906 0.469 CB 1.455 33 residues pruned to eliminate duplicates Z: 29 25.903 2.083 0.828 0.505 0.857 0.500 CB 1.493 29 residues pruned to eliminate duplicates Z: 33 28.718 2.018 0.798 0.563 0.906 0.469 CB 1.452 33 residues pruned to eliminate duplicates Z: 9 34.981 2.193 1.586 0.869 1.000 0.375 CA 1.593 9 residues pruned to eliminate duplicates Z: 25 27.429 2.108 0.740 0.518 0.958 0.458 CB 1.565 25 residues pruned to eliminate duplicates Z: 31 30.998 2.067 0.769 0.588 0.967 0.700 CB 1.472 33 residues pruned to eliminate duplicates Z: 7 4.102 1.611 0.736 0.242 0.667 0.500 CB 1.210 7 residues pruned to eliminate duplicates Z: 34 23.727 1.960 0.665 0.522 0.879 0.485 CB 1.410 34 residues pruned to eliminate duplicates Z: 8 5.330 1.777 0.177 0.421 0.857 0.429 CB 1.221 8 residues pruned to eliminate duplicates Z: 34 27.745 1.972 0.712 0.600 0.939 0.545 CB 1.385 34 residues pruned to eliminate duplicates Z: 32 23.530 1.983 0.672 0.498 0.903 0.419 CB 1.414 32 residues pruned to eliminate duplicates Z: 28 28.856 2.111 0.754 0.532 0.963 0.519 CB 1.509 28 residues pruned to eliminate duplicates Z: 51 30.011 2.016 0.620 0.497 0.880 0.560 CA 1.481 51 residues pruned to eliminate duplicates Z: 33 25.931 1.989 0.573 0.578 0.938 0.750 CB 1.449 31 residues pruned to eliminate duplicates Z: 12 9.455 1.742 0.163 0.885 1.000 0.818 CA 1.016 12 residues pruned to eliminate duplicates Z: 30 28.285 2.062 0.817 0.482 0.931 0.655 CB 1.533 30 residues pruned to eliminate duplicates Z: 29 28.328 2.077 0.862 0.481 0.929 0.500 CB 1.519 29 residues pruned to eliminate duplicates Z: 15 13.530 1.763 0.536 0.582 1.000 0.643 CA 1.234 15 residues pruned to eliminate duplicates Z: 12 17.947 1.750 0.799 0.899 1.000 0.818 CA 1.228 12 residues pruned to eliminate duplicates Z: 12 16.572 1.738 0.756 0.894 1.000 0.909 CB 1.175 12 residues pruned to eliminate duplicates Z: 12 18.103 1.746 0.872 0.914 1.000 1.000 CB 1.181 12 residues pruned to eliminate duplicates Z: 33 27.223 1.991 0.709 0.588 0.938 0.469 CB 1.386 33 residues pruned to eliminate duplicates Z: 29 17.073 1.871 0.564 0.472 0.893 0.357 CB 1.270 29 residues pruned to eliminate duplicates Z: 34 30.144 1.999 0.765 0.605 0.939 0.636 CB 1.432 34 residues pruned to eliminate duplicates 381 residues left after pruning, divided into chains as follows: A: 9 B: 40 C: 130 D: 202 CC for partial structure against native data = 39.79 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.465, Connect. = 0.694 for dens.mod. cycle 1 = 0.300, Contrast = 0.532, Connect. = 0.722 for dens.mod. cycle 2 = 0.300, Contrast = 0.628, Connect. = 0.756 for dens.mod. cycle 3 = 0.300, Contrast = 0.635, Connect. = 0.757 for dens.mod. cycle 4 = 0.300, Contrast = 0.643, Connect. = 0.759 for dens.mod. cycle 5 = 0.300, Contrast = 0.648, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.652, Connect. = 0.763 for dens.mod. cycle 7 = 0.300, Contrast = 0.654, Connect. = 0.764 for dens.mod. cycle 8 = 0.300, Contrast = 0.655, Connect. = 0.765 for dens.mod. cycle 9 = 0.300, Contrast = 0.656, Connect. = 0.766 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2456 peaks > 0.5 sigma used to seed fragment search Space for about 606 unique residues taking solvent into account 540 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 31.589 2.269 0.600 0.907 1.000 0.769 CA 1.715 B: 15 25.527 2.115 0.509 0.880 0.929 0.714 CA 1.669 15 residues pruned to eliminate duplicates C: 13 24.748 2.275 0.574 0.871 0.833 0.833 CA 1.746 13 residues pruned to eliminate duplicates D: 11 20.227 2.218 0.542 0.903 1.000 0.900 CA 1.332 E: 33 23.420 2.133 0.728 0.278 0.875 0.500 CB 1.649 F: 15 26.086 2.029 0.767 0.918 1.000 0.643 CB 1.372 G: 13 34.455 2.315 0.644 0.926 1.000 0.667 CA 1.833 13 residues pruned to eliminate duplicates H: 13 23.102 2.177 0.793 0.857 0.917 0.833 CB 1.373 13 residues pruned to eliminate duplicates I: 10 32.316 2.362 0.946 0.894 1.000 0.889 CA 1.681 J: 32 20.077 2.114 0.722 0.286 0.806 0.516 CA 1.564 32 residues pruned to eliminate duplicates K: 10 18.224 2.066 0.894 0.843 0.778 0.556 CA 1.487 8 residues pruned to eliminate duplicates L: 13 25.748 2.269 0.433 0.854 0.917 0.667 CA 1.841 13 residues pruned to eliminate duplicates M: 69 45.498 2.129 0.821 0.667 0.941 0.632 CB 1.296 N: 11 16.192 2.173 0.227 0.830 1.000 0.700 CA 1.445 O: 15 25.778 2.142 1.024 0.913 1.000 0.929 CB 1.125 15 residues pruned to eliminate duplicates P: 16 19.168 1.971 1.017 0.849 0.867 0.600 CB 1.065 16 residues pruned to eliminate duplicates Q: 12 18.950 2.117 0.678 0.762 0.909 0.545 CA 1.401 11 residues pruned to eliminate duplicates R: 57 33.686 2.042 0.870 0.482 0.929 0.571 CB 1.293 S: 14 21.981 2.113 0.368 0.910 0.923 0.769 CA 1.621 14 residues pruned to eliminate duplicates T: 18 23.711 1.929 0.729 0.835 1.000 0.647 CB 1.292 18 residues pruned to eliminate duplicates U: 55 46.280 2.110 0.973 0.700 0.944 0.556 CB 1.335 15 residues pruned to eliminate duplicates V: 13 29.020 2.310 0.405 0.919 1.000 0.667 CB 1.820 14 residues pruned to eliminate duplicates W: 12 26.307 2.153 1.025 0.843 1.000 0.636 CA 1.354 13 residues pruned to eliminate duplicates X: 17 30.119 2.052 1.057 0.870 0.938 0.562 CA 1.388 17 residues pruned to eliminate duplicates Y: 15 20.395 1.887 0.780 0.891 1.000 0.714 CA 1.167 15 residues pruned to eliminate duplicates Z: 14 30.770 2.176 1.201 0.922 1.000 0.846 CB 1.253 14 residues pruned to eliminate duplicates Z: 13 24.150 2.019 0.846 0.845 0.917 0.500 CA 1.517 13 residues pruned to eliminate duplicates Z: 12 11.921 1.660 0.331 0.869 1.000 0.818 CA 1.188 Z: 15 23.396 2.178 0.683 0.899 0.929 0.714 CB 1.313 15 residues pruned to eliminate duplicates Z: 14 27.998 2.235 0.601 0.909 0.923 0.769 CA 1.669 14 residues pruned to eliminate duplicates Z: 17 27.310 2.030 1.119 0.855 0.875 0.562 CA 1.339 17 residues pruned to eliminate duplicates Z: 17 19.075 1.908 0.545 0.766 0.938 0.750 CB 1.363 17 residues pruned to eliminate duplicates Z: 13 16.769 1.936 0.551 0.797 0.917 0.500 CA 1.356 13 residues pruned to eliminate duplicates Z: 12 20.394 2.255 0.715 0.709 0.909 0.545 CA 1.447 12 residues pruned to eliminate duplicates Z: 11 20.822 1.992 0.910 0.821 1.000 0.800 CA 1.310 Z: 12 13.585 1.706 0.442 0.869 1.000 0.909 CA 1.216 12 residues pruned to eliminate duplicates Z: 69 41.758 2.115 0.858 0.651 0.882 0.588 CB 1.269 69 residues pruned to eliminate duplicates Z: 10 17.926 2.098 0.302 0.893 1.000 0.778 CB 1.569 Z: 12 17.087 2.076 0.534 0.808 0.909 0.545 CA 1.360 12 residues pruned to eliminate duplicates Z: 12 17.200 2.137 0.570 0.917 0.909 0.636 CB 1.200 12 residues pruned to eliminate duplicates Z: 32 29.875 2.183 0.915 0.367 0.903 0.548 CB 1.640 32 residues pruned to eliminate duplicates Z: 12 19.139 2.110 0.625 0.838 0.909 0.818 CB 1.384 12 residues pruned to eliminate duplicates Z: 8 5.851 1.519 0.066 0.761 1.000 0.857 N 1.083 8 residues pruned to eliminate duplicates Z: 11 16.309 2.073 0.269 0.845 0.900 0.400 CA 1.620 11 residues pruned to eliminate duplicates Z: 58 35.972 2.040 0.843 0.495 0.877 0.561 CB 1.452 46 residues pruned to eliminate duplicates Z: 11 13.455 1.936 0.148 0.910 1.000 0.900 CB 1.358 11 residues pruned to eliminate duplicates Z: 12 14.785 1.810 0.422 0.840 0.909 0.636 CB 1.423 11 residues pruned to eliminate duplicates Z: 10 13.157 1.997 0.403 0.710 0.889 0.222 CA 1.455 10 residues pruned to eliminate duplicates Z: 83 45.953 2.086 0.661 0.648 0.902 0.610 CB 1.414 87 residues pruned to eliminate duplicates Z: 13 30.409 2.241 0.548 0.913 1.000 0.833 CA 1.791 13 residues pruned to eliminate duplicates Z: 14 15.181 2.014 0.779 0.728 0.769 0.538 CA 1.244 14 residues pruned to eliminate duplicates Z: 35 27.222 2.149 0.810 0.342 0.912 0.588 CA 1.563 34 residues pruned to eliminate duplicates Z: 15 28.119 2.170 0.691 0.880 0.929 0.643 CA 1.600 15 residues pruned to eliminate duplicates Z: 10 19.882 2.211 0.678 0.907 0.889 0.778 CB 1.429 10 residues pruned to eliminate duplicates Z: 23 21.616 2.029 0.654 0.567 0.864 0.545 CB 1.491 14 residues pruned to eliminate duplicates Z: 12 22.073 2.046 0.771 0.849 1.000 0.818 CA 1.362 11 residues pruned to eliminate duplicates Z: 11 29.156 2.172 1.182 0.858 1.000 0.700 CA 1.433 12 residues pruned to eliminate duplicates Z: 15 20.377 1.982 0.618 0.905 0.929 0.643 CA 1.302 15 residues pruned to eliminate duplicates Z: 32 20.925 1.988 0.570 0.470 0.903 0.452 CB 1.375 39 residues pruned to eliminate duplicates Z: 10 17.417 1.964 0.613 0.858 1.000 0.667 CA 1.349 Z: 10 13.789 2.102 0.154 0.840 1.000 0.778 CB 1.414 10 residues pruned to eliminate duplicates Z: 15 19.866 1.983 0.553 0.914 0.929 0.857 CA 1.313 15 residues pruned to eliminate duplicates Z: 16 12.706 1.810 0.556 0.809 0.867 0.733 CB 1.026 16 residues pruned to eliminate duplicates Z: 14 14.256 1.850 0.627 0.808 0.923 0.692 CB 1.088 Z: 15 24.982 2.092 0.738 0.879 0.929 0.786 CA 1.434 15 residues pruned to eliminate duplicates Z: 11 18.193 2.018 0.813 0.840 0.900 0.500 CB 1.304 10 residues pruned to eliminate duplicates Z: 13 35.618 2.349 0.637 0.923 1.000 0.667 CA 1.879 13 residues pruned to eliminate duplicates Z: 10 9.021 1.975 -0.198 0.924 1.000 1.000 CB 1.333 10 residues pruned to eliminate duplicates Z: 25 24.918 2.203 0.595 0.585 0.917 0.625 CA 1.455 14 residues pruned to eliminate duplicates Z: 10 12.920 2.063 0.709 0.724 0.889 0.333 CA 1.123 10 residues pruned to eliminate duplicates Z: 18 23.971 1.882 0.597 0.836 1.000 0.765 CB 1.449 18 residues pruned to eliminate duplicates Z: 15 17.436 1.823 0.723 0.896 1.000 1.000 CA 1.062 15 residues pruned to eliminate duplicates Z: 15 21.820 1.994 0.594 0.924 1.000 0.786 CA 1.288 18 residues pruned to eliminate duplicates Z: 13 31.422 2.274 0.566 0.935 1.000 0.750 CB 1.774 13 residues pruned to eliminate duplicates Z: 50 32.683 2.113 0.847 0.565 0.857 0.612 CB 1.310 54 residues pruned to eliminate duplicates Z: 9 10.986 1.827 0.922 0.476 0.875 0.500 CA 1.295 Z: 12 12.944 1.698 0.461 0.875 1.000 0.818 CB 1.144 12 residues pruned to eliminate duplicates Z: 64 40.216 2.100 0.873 0.473 0.905 0.524 CB 1.462 67 residues pruned to eliminate duplicates Z: 14 20.990 2.031 0.676 0.926 0.923 0.769 CB 1.299 14 residues pruned to eliminate duplicates Z: 12 16.813 1.726 0.706 0.908 1.000 0.818 CB 1.222 12 residues pruned to eliminate duplicates Z: 131 65.813 2.180 0.778 0.594 0.938 0.623 CB 1.451 127 residues pruned to eliminate duplicates Z: 10 18.324 2.102 0.339 0.883 1.000 0.889 CB 1.568 11 residues pruned to eliminate duplicates Z: 49 31.118 2.086 0.867 0.465 0.896 0.479 CB 1.333 49 residues pruned to eliminate duplicates Z: 45 34.860 2.137 0.993 0.427 0.909 0.477 CB 1.465 45 residues pruned to eliminate duplicates Z: 14 16.653 1.849 0.576 0.862 0.923 0.769 CA 1.261 10 residues pruned to eliminate duplicates Z: 12 17.624 1.898 0.637 0.846 1.000 0.909 CB 1.271 12 residues pruned to eliminate duplicates Z: 15 22.896 1.956 0.977 0.722 0.857 0.786 CA 1.511 15 residues pruned to eliminate duplicates Z: 10 21.877 2.107 0.815 0.902 0.889 0.667 CA 1.530 12 residues pruned to eliminate duplicates Z: 6 3.821 1.826 0.559 0.571 0.600 0.600 CB 0.935 6 residues pruned to eliminate duplicates Z: 18 34.288 1.997 1.198 0.887 1.000 0.941 CA 1.366 18 residues pruned to eliminate duplicates Z: 7 6.126 1.592 0.572 0.583 0.833 0.667 CA 1.107 7 residues pruned to eliminate duplicates Z: 12 13.182 1.786 0.462 0.923 1.000 0.909 CB 1.070 12 residues pruned to eliminate duplicates Z: 11 24.340 2.166 0.780 0.811 1.000 0.800 CB 1.523 11 residues pruned to eliminate duplicates Z: 12 21.017 1.982 0.936 0.818 0.909 0.455 CB 1.378 12 residues pruned to eliminate duplicates Z: 18 22.961 1.908 0.746 0.806 0.941 0.471 CB 1.360 18 residues pruned to eliminate duplicates Z: 13 16.336 1.883 0.807 0.641 0.917 0.583 CB 1.326 13 residues pruned to eliminate duplicates Z: 8 10.362 1.826 0.712 0.775 0.714 0.714 CA 1.375 8 residues pruned to eliminate duplicates Z: 13 25.945 2.158 1.122 0.895 0.833 0.500 CB 1.406 13 residues pruned to eliminate duplicates Z: 63 40.286 2.055 0.744 0.515 0.968 0.581 CB 1.453 63 residues pruned to eliminate duplicates Z: 14 19.679 2.023 0.724 0.894 0.846 0.692 CA 1.327 14 residues pruned to eliminate duplicates Z: 23 11.778 1.938 0.435 0.465 0.818 0.500 CB 1.143 23 residues pruned to eliminate duplicates Z: 10 12.187 2.043 0.471 0.901 1.000 0.889 CA 0.965 10 residues pruned to eliminate duplicates Z: 15 32.640 2.134 0.892 0.890 0.929 0.643 CA 1.674 15 residues pruned to eliminate duplicates Z: 12 8.258 1.835 0.120 0.828 0.909 0.818 CB 1.003 12 residues pruned to eliminate duplicates Z: 34 26.482 2.092 0.964 0.392 0.879 0.545 CB 1.432 34 residues pruned to eliminate duplicates Z: 13 16.740 2.056 0.450 0.870 1.000 1.000 CA 1.183 13 residues pruned to eliminate duplicates Z: 68 37.894 2.038 0.849 0.496 0.896 0.507 CB 1.377 69 residues pruned to eliminate duplicates Z: 13 16.539 1.918 0.455 0.820 1.000 0.833 CA 1.296 Z: 10 25.760 2.138 0.895 0.834 1.000 0.667 CA 1.588 18 residues pruned to eliminate duplicates Z: 9 13.379 1.768 0.701 0.836 1.000 0.375 CB 1.177 9 residues pruned to eliminate duplicates Z: 13 15.657 1.898 0.699 0.845 0.833 0.750 CA 1.251 13 residues pruned to eliminate duplicates Z: 16 30.926 2.072 0.921 0.832 0.933 0.400 CA 1.614 16 residues pruned to eliminate duplicates Z: 10 9.548 1.997 -0.019 0.825 0.889 0.667 CB 1.379 9 residues pruned to eliminate duplicates Z: 13 14.667 1.818 0.198 0.904 1.000 0.917 CA 1.385 13 residues pruned to eliminate duplicates Z: 13 21.998 2.057 0.422 0.919 1.000 1.000 CA 1.530 13 residues pruned to eliminate duplicates Z: 34 24.337 2.001 0.784 0.462 0.939 0.576 CB 1.313 34 residues pruned to eliminate duplicates Z: 12 24.368 2.162 0.850 0.877 0.909 0.727 CA 1.467 12 residues pruned to eliminate duplicates Z: 100 52.528 2.142 0.817 0.546 0.919 0.586 CB 1.411 100 residues pruned to eliminate duplicates Z: 11 11.813 1.698 1.035 0.799 0.800 0.600 CB 1.040 11 residues pruned to eliminate duplicates Z: 11 13.721 2.108 0.614 0.872 0.800 0.500 CB 1.162 11 residues pruned to eliminate duplicates Z: 12 22.817 2.084 0.682 0.812 1.000 0.818 CA 1.496 13 residues pruned to eliminate duplicates Z: 16 23.338 1.991 0.661 0.816 0.933 0.867 CB 1.484 16 residues pruned to eliminate duplicates Z: 11 15.594 2.142 0.530 0.441 0.900 0.600 CA 1.777 11 residues pruned to eliminate duplicates Z: 15 21.302 2.163 1.220 0.874 0.857 0.786 CB 1.007 15 residues pruned to eliminate duplicates Z: 11 11.955 2.062 0.324 0.846 0.800 0.600 CA 1.286 11 residues pruned to eliminate duplicates Z: 14 27.909 2.245 0.580 0.888 0.923 0.692 CA 1.704 14 residues pruned to eliminate duplicates Z: 59 41.171 2.090 0.874 0.533 0.914 0.552 CB 1.462 59 residues pruned to eliminate duplicates Z: 12 10.272 1.594 0.403 0.888 1.000 0.909 CB 0.997 12 residues pruned to eliminate duplicates Z: 11 12.759 1.964 0.491 0.835 0.900 0.900 CA 1.147 14 residues pruned to eliminate duplicates Z: 12 20.990 1.998 0.884 0.843 0.909 0.636 CA 1.378 12 residues pruned to eliminate duplicates Z: 57 41.087 2.137 0.898 0.440 0.946 0.518 CB 1.522 57 residues pruned to eliminate duplicates Z: 34 28.340 2.049 0.913 0.424 0.970 0.515 CB 1.404 34 residues pruned to eliminate duplicates Z: 13 19.029 2.036 0.597 0.831 1.000 0.833 CA 1.270 13 residues pruned to eliminate duplicates Z: 15 19.805 2.086 1.076 0.899 0.929 0.857 CB 0.941 15 residues pruned to eliminate duplicates Z: 12 22.191 2.134 0.655 0.867 1.000 0.636 CA 1.386 10 residues pruned to eliminate duplicates Z: 18 15.111 1.902 0.555 0.510 0.882 0.588 CB 1.390 18 residues pruned to eliminate duplicates Z: 7 8.170 1.842 1.078 0.415 0.667 0.500 N 1.428 Z: 11 22.958 2.118 0.821 0.909 1.000 0.600 CA 1.336 9 residues pruned to eliminate duplicates Z: 12 15.784 1.983 0.500 0.732 0.818 0.636 CA 1.587 12 residues pruned to eliminate duplicates Z: 13 24.827 2.195 0.418 0.932 1.000 0.833 CA 1.607 13 residues pruned to eliminate duplicates Z: 11 17.848 1.996 0.708 0.894 0.900 0.800 CA 1.319 11 residues pruned to eliminate duplicates Z: 24 19.018 1.957 0.709 0.469 0.870 0.391 CB 1.408 24 residues pruned to eliminate duplicates Z: 13 14.615 1.867 0.426 0.884 0.917 0.833 CA 1.250 13 residues pruned to eliminate duplicates Z: 28 24.690 2.064 0.885 0.427 0.889 0.481 CB 1.483 28 residues pruned to eliminate duplicates Z: 12 17.375 1.910 0.635 0.866 1.000 0.909 CA 1.228 13 residues pruned to eliminate duplicates Z: 10 23.970 2.203 0.606 0.918 1.000 1.000 CB 1.592 10 residues pruned to eliminate duplicates Z: 12 14.206 1.985 0.192 0.904 1.000 0.909 CB 1.290 12 residues pruned to eliminate duplicates Z: 16 17.031 1.875 0.555 0.878 0.867 0.800 CB 1.263 16 residues pruned to eliminate duplicates Z: 12 17.507 1.888 0.480 0.830 1.000 0.727 CB 1.421 11 residues pruned to eliminate duplicates Z: 8 7.043 1.816 0.681 0.603 1.000 0.714 CB 0.791 12 residues pruned to eliminate duplicates Z: 24 20.950 2.024 0.769 0.507 0.826 0.565 CB 1.466 14 residues pruned to eliminate duplicates Z: 11 27.867 2.149 1.091 0.917 1.000 0.900 CA 1.384 11 residues pruned to eliminate duplicates Z: 112 56.089 2.100 0.708 0.607 0.937 0.586 CB 1.431 119 residues pruned to eliminate duplicates Z: 38 36.027 2.116 0.895 0.653 0.919 0.811 CA 1.394 38 residues pruned to eliminate duplicates Z: 64 34.981 2.093 0.726 0.440 0.873 0.524 CB 1.486 64 residues pruned to eliminate duplicates Z: 14 23.172 2.030 0.982 0.933 0.923 0.538 CB 1.208 14 residues pruned to eliminate duplicates Z: 110 51.869 2.105 0.687 0.583 0.908 0.615 CB 1.422 110 residues pruned to eliminate duplicates Z: 19 24.783 2.084 0.851 0.623 0.944 0.500 CB 1.428 19 residues pruned to eliminate duplicates Z: 17 34.999 2.021 1.247 0.877 1.000 0.750 CA 1.399 17 residues pruned to eliminate duplicates Z: 38 20.828 2.004 0.538 0.516 0.811 0.649 CB 1.349 34 residues pruned to eliminate duplicates Z: 13 26.095 2.063 0.959 0.792 1.000 0.500 CB 1.443 Z: 15 34.515 2.163 0.823 0.902 1.000 0.786 CA 1.669 15 residues pruned to eliminate duplicates Z: 11 22.563 2.145 0.485 0.910 1.000 0.900 CA 1.589 11 residues pruned to eliminate duplicates Z: 26 21.842 2.084 0.641 0.565 0.920 0.640 CB 1.304 26 residues pruned to eliminate duplicates Z: 33 26.175 2.155 0.781 0.364 0.875 0.438 CA 1.595 33 residues pruned to eliminate duplicates Z: 11 9.455 1.813 0.774 0.529 0.800 0.500 CB 1.130 11 residues pruned to eliminate duplicates Z: 117 59.462 2.142 0.750 0.584 0.940 0.578 CB 1.446 117 residues pruned to eliminate duplicates Z: 18 25.813 1.919 0.893 0.778 0.941 0.588 CB 1.433 18 residues pruned to eliminate duplicates Z: 139 67.472 2.137 0.862 0.569 0.920 0.609 CB 1.468 139 residues pruned to eliminate duplicates Z: 21 15.237 1.964 0.297 0.661 0.950 0.600 CB 1.212 21 residues pruned to eliminate duplicates Z: 11 21.442 2.290 0.786 0.764 1.000 0.800 CA 1.311 11 residues pruned to eliminate duplicates Z: 13 17.391 1.811 0.505 0.851 1.000 0.583 CA 1.364 13 residues pruned to eliminate duplicates Z: 10 16.920 2.098 0.739 0.899 0.889 0.778 CA 1.243 10 residues pruned to eliminate duplicates Z: 14 20.537 1.995 0.989 0.884 0.923 0.462 CB 1.123 14 residues pruned to eliminate duplicates Z: 118 60.669 2.150 0.809 0.569 0.923 0.581 CB 1.461 118 residues pruned to eliminate duplicates Z: 7 5.894 1.757 0.228 0.487 0.833 0.667 CA 1.357 Z: 9 18.682 2.129 0.608 0.882 0.875 0.750 CB 1.596 9 residues pruned to eliminate duplicates Z: 10 17.534 2.169 0.465 0.834 1.000 0.889 CB 1.379 10 residues pruned to eliminate duplicates Z: 10 8.064 1.719 0.238 0.737 0.889 0.444 CB 1.148 10 residues pruned to eliminate duplicates Z: 13 6.040 1.806 0.604 0.383 0.667 0.333 N 1.022 8 residues pruned to eliminate duplicates Z: 12 16.277 2.070 0.527 0.814 0.818 0.545 CB 1.444 12 residues pruned to eliminate duplicates Z: 10 6.641 1.930 0.412 0.474 0.778 0.556 CB 1.073 10 residues pruned to eliminate duplicates Z: 40 23.984 1.969 0.679 0.414 0.949 0.487 CB 1.339 40 residues pruned to eliminate duplicates Z: 12 12.948 1.824 0.594 0.837 1.000 0.727 CB 1.004 12 residues pruned to eliminate duplicates Z: 8 10.767 1.947 0.651 0.744 0.857 0.714 CB 1.187 8 residues pruned to eliminate duplicates Z: 11 13.435 1.628 0.634 0.779 1.000 0.600 CA 1.249 11 residues pruned to eliminate duplicates Z: 106 56.479 2.111 0.843 0.610 0.886 0.533 CB 1.441 106 residues pruned to eliminate duplicates Z: 14 15.733 1.958 0.398 0.905 0.923 0.769 CB 1.229 14 residues pruned to eliminate duplicates Z: 17 24.061 1.995 0.851 0.872 0.812 0.562 CA 1.461 17 residues pruned to eliminate duplicates Z: 17 24.551 1.996 0.782 0.858 0.875 0.562 CA 1.453 17 residues pruned to eliminate duplicates Z: 11 28.477 2.177 0.889 0.929 1.000 0.700 CB 1.532 11 residues pruned to eliminate duplicates Z: 39 27.348 2.049 0.585 0.606 0.947 0.579 CB 1.303 39 residues pruned to eliminate duplicates Z: 19 22.163 2.021 0.771 0.604 0.833 0.556 CB 1.586 15 residues pruned to eliminate duplicates Z: 88 46.092 2.071 0.785 0.534 0.908 0.552 CB 1.424 88 residues pruned to eliminate duplicates Z: 11 17.238 1.911 0.542 0.876 0.900 0.500 CB 1.494 11 residues pruned to eliminate duplicates Z: 13 12.604 1.744 0.539 0.759 1.000 0.500 CB 1.076 13 residues pruned to eliminate duplicates Z: 9 11.521 1.782 0.821 0.679 0.875 0.375 CB 1.217 9 residues pruned to eliminate duplicates Z: 29 24.800 2.092 0.801 0.347 0.929 0.607 CB 1.581 29 residues pruned to eliminate duplicates Z: 6 7.572 1.675 0.426 0.859 1.000 1.000 N 1.043 6 residues pruned to eliminate duplicates Z: 34 29.305 2.071 0.945 0.554 0.879 0.455 CB 1.368 34 residues pruned to eliminate duplicates Z: 6 3.790 1.719 -0.191 0.568 1.000 0.600 CB 1.141 Z: 6 3.133 1.402 0.481 0.338 0.800 0.800 N 1.006 Z: 12 24.619 2.123 1.109 0.845 0.909 0.727 CA 1.356 12 residues pruned to eliminate duplicates Z: 16 11.003 1.800 0.735 0.416 1.000 0.733 CB 0.993 16 residues pruned to eliminate duplicates Z: 19 16.761 1.918 0.525 0.480 0.889 0.500 N 1.552 19 residues pruned to eliminate duplicates Z: 10 11.917 2.032 0.778 0.474 0.889 0.333 CA 1.270 10 residues pruned to eliminate duplicates Z: 6 5.443 1.709 -0.059 0.772 1.000 0.800 C 1.189 Z: 18 26.443 2.182 1.079 0.443 1.000 0.529 CA 1.499 18 residues pruned to eliminate duplicates Z: 26 27.214 2.076 0.800 0.525 0.920 0.800 CB 1.544 26 residues pruned to eliminate duplicates Z: 13 7.239 1.630 0.159 0.654 0.833 0.750 CA 1.150 Z: 22 22.528 2.002 0.749 0.569 0.905 0.476 CB 1.451 22 residues pruned to eliminate duplicates Z: 11 17.814 2.001 0.507 0.853 0.900 0.700 CA 1.534 11 residues pruned to eliminate duplicates Z: 67 40.322 1.992 0.803 0.578 0.894 0.545 CB 1.434 67 residues pruned to eliminate duplicates Z: 14 10.564 1.709 0.311 0.799 0.923 0.538 CB 1.091 14 residues pruned to eliminate duplicates Z: 13 14.181 1.728 0.578 0.890 0.917 0.750 CB 1.179 13 residues pruned to eliminate duplicates Z: 33 24.047 2.070 0.759 0.402 0.875 0.531 CA 1.478 33 residues pruned to eliminate duplicates Z: 13 13.414 1.732 0.602 0.833 0.917 0.750 CB 1.142 13 residues pruned to eliminate duplicates Z: 11 15.119 1.884 0.743 0.913 0.900 0.400 CB 1.145 11 residues pruned to eliminate duplicates Z: 12 24.955 2.112 0.841 0.909 0.909 0.545 CB 1.511 12 residues pruned to eliminate duplicates Z: 13 14.331 1.923 0.483 0.786 0.917 0.833 CA 1.231 13 residues pruned to eliminate duplicates Z: 13 21.173 2.194 0.417 0.927 1.000 0.917 CB 1.377 13 residues pruned to eliminate duplicates Z: 14 12.913 1.695 0.738 0.678 0.769 0.538 CA 1.342 14 residues pruned to eliminate duplicates Z: 23 28.235 2.064 0.828 0.673 1.000 0.727 CB 1.361 23 residues pruned to eliminate duplicates Z: 17 25.564 1.977 0.955 0.846 0.938 0.812 CA 1.310 17 residues pruned to eliminate duplicates Z: 13 16.330 2.076 1.093 0.357 0.917 0.417 CA 1.382 13 residues pruned to eliminate duplicates Z: 6 4.436 1.625 0.656 0.441 0.800 0.400 CB 0.979 6 residues pruned to eliminate duplicates Z: 13 26.335 2.186 0.938 0.700 0.917 0.750 CA 1.631 13 residues pruned to eliminate duplicates Z: 18 24.656 1.968 0.774 0.811 0.882 0.706 CB 1.480 18 residues pruned to eliminate duplicates Z: 7 5.995 1.364 0.692 0.452 1.000 0.833 CB 1.114 Z: 8 12.259 1.780 0.638 0.848 1.000 0.857 CB 1.179 8 residues pruned to eliminate duplicates Z: 26 17.224 2.147 0.688 0.459 0.720 0.480 CA 1.376 26 residues pruned to eliminate duplicates Z: 12 31.443 1.992 1.159 0.934 1.000 0.818 CB 1.537 13 residues pruned to eliminate duplicates Z: 9 20.051 2.003 0.676 0.910 1.000 0.875 CB 1.497 10 residues pruned to eliminate duplicates Z: 36 29.021 2.112 0.792 0.454 0.914 0.457 CB 1.487 17 residues pruned to eliminate duplicates Z: 8 8.955 2.036 0.800 0.472 0.714 0.714 CB 1.330 8 residues pruned to eliminate duplicates Z: 15 22.167 1.862 0.941 0.912 1.000 0.786 CA 1.160 15 residues pruned to eliminate duplicates Z: 10 5.377 1.578 0.111 0.798 0.889 0.667 CA 0.887 10 residues pruned to eliminate duplicates Z: 10 6.576 1.754 0.812 0.331 0.778 0.444 CB 1.066 Z: 37 30.146 2.112 0.921 0.696 0.833 0.500 CB 1.243 37 residues pruned to eliminate duplicates Z: 71 39.332 2.098 0.624 0.519 0.929 0.586 CB 1.458 71 residues pruned to eliminate duplicates Z: 6 2.026 1.540 0.307 0.677 0.800 0.600 CB 0.478 Z: 10 8.020 1.519 0.429 0.783 1.000 0.333 CA 0.960 10 residues pruned to eliminate duplicates Z: 9 7.761 1.448 0.330 0.733 1.000 0.500 N 1.155 9 residues pruned to eliminate duplicates Z: 13 19.480 2.093 0.741 0.908 0.917 0.833 CB 1.196 13 residues pruned to eliminate duplicates Z: 69 38.720 2.075 0.769 0.659 0.941 0.588 CB 1.173 69 residues pruned to eliminate duplicates Z: 11 15.532 1.885 0.836 0.861 0.900 0.400 CB 1.159 11 residues pruned to eliminate duplicates Z: 13 17.762 1.767 0.602 0.908 1.000 0.833 CB 1.287 13 residues pruned to eliminate duplicates Z: 13 15.103 1.971 0.333 0.873 1.000 0.750 CB 1.209 13 residues pruned to eliminate duplicates Z: 6 4.685 1.733 0.836 0.555 0.600 0.600 CB 1.041 Z: 61 35.864 2.067 0.677 0.528 0.917 0.533 CB 1.418 61 residues pruned to eliminate duplicates Z: 6 4.389 1.753 -0.347 0.822 1.000 1.000 CB 1.297 7 residues pruned to eliminate duplicates Z: 11 17.847 1.959 0.590 0.893 1.000 0.900 CB 1.301 11 residues pruned to eliminate duplicates Z: 10 14.997 2.050 0.565 0.786 0.889 0.556 CA 1.363 10 residues pruned to eliminate duplicates Z: 7 5.451 1.751 0.739 0.378 0.833 0.500 CB 0.999 7 residues pruned to eliminate duplicates Z: 9 12.185 1.710 0.743 0.876 0.875 0.500 CB 1.201 9 residues pruned to eliminate duplicates Z: 13 17.200 1.719 0.694 0.804 1.000 0.583 CB 1.308 13 residues pruned to eliminate duplicates Z: 18 7.317 1.661 0.512 0.516 0.706 0.471 CB 0.986 18 residues pruned to eliminate duplicates Z: 21 13.285 1.957 0.274 0.446 0.900 0.500 CA 1.399 21 residues pruned to eliminate duplicates Z: 8 10.277 1.572 0.474 0.821 1.000 0.714 CA 1.269 8 residues pruned to eliminate duplicates Z: 15 15.157 2.081 0.716 0.373 1.000 0.571 CB 1.299 15 residues pruned to eliminate duplicates Z: 22 24.099 2.066 0.873 0.542 0.905 0.667 CA 1.442 22 residues pruned to eliminate duplicates Z: 44 37.616 2.143 0.840 0.425 0.977 0.535 CA 1.610 44 residues pruned to eliminate duplicates Z: 134 54.608 2.111 0.702 0.548 0.910 0.579 CB 1.382 134 residues pruned to eliminate duplicates Z: 12 17.759 2.036 0.602 0.837 0.909 0.545 CB 1.350 12 residues pruned to eliminate duplicates Z: 64 43.577 2.096 0.882 0.488 0.921 0.444 CB 1.529 64 residues pruned to eliminate duplicates Z: 7 6.641 1.773 0.435 0.548 0.833 0.833 CB 1.220 Z: 14 20.609 2.118 0.836 0.912 1.000 0.846 CB 1.041 14 residues pruned to eliminate duplicates Z: 65 42.811 2.110 0.858 0.478 0.922 0.641 CB 1.514 65 residues pruned to eliminate duplicates Z: 7 7.157 1.670 0.400 0.846 0.833 0.333 CA 1.114 7 residues pruned to eliminate duplicates Z: 70 39.801 2.129 0.708 0.483 0.913 0.551 CB 1.469 70 residues pruned to eliminate duplicates Z: 76 36.359 2.016 0.708 0.626 0.893 0.627 CB 1.212 76 residues pruned to eliminate duplicates Z: 9 17.952 2.166 0.500 0.886 1.000 1.000 CA 1.409 9 residues pruned to eliminate duplicates Z: 26 14.548 1.837 0.355 0.587 0.920 0.720 CB 1.168 18 residues pruned to eliminate duplicates Z: 11 19.467 1.973 0.674 0.818 1.000 0.700 CA 1.413 11 residues pruned to eliminate duplicates Z: 9 5.865 1.726 0.522 0.579 0.750 0.625 CB 0.975 9 residues pruned to eliminate duplicates Z: 14 29.522 1.990 1.032 0.930 1.000 0.846 CA 1.416 14 residues pruned to eliminate duplicates Z: 6 10.555 2.065 0.620 0.867 1.000 1.000 CB 1.032 6 residues pruned to eliminate duplicates Z: 9 6.921 1.739 0.509 0.610 0.750 0.625 CB 1.121 Z: 14 11.590 2.045 0.286 0.616 0.923 0.538 CA 1.187 14 residues pruned to eliminate duplicates Z: 9 13.683 1.857 0.699 0.758 0.875 0.625 CB 1.393 9 residues pruned to eliminate duplicates Z: 19 29.595 1.999 0.991 0.737 0.944 0.667 CA 1.500 19 residues pruned to eliminate duplicates Z: 12 7.270 1.736 0.744 0.358 0.727 0.364 CB 1.161 12 residues pruned to eliminate duplicates Z: 25 11.474 1.695 0.400 0.496 0.875 0.542 CB 1.132 19 residues pruned to eliminate duplicates Z: 10 3.806 1.591 0.351 0.275 0.667 0.444 CB 1.141 10 residues pruned to eliminate duplicates Z: 85 48.212 2.158 0.651 0.684 0.917 0.714 CB 1.360 85 residues pruned to eliminate duplicates Z: 8 14.301 1.850 0.607 0.883 1.000 0.714 CB 1.315 8 residues pruned to eliminate duplicates Z: 12 13.722 1.765 0.700 0.711 1.000 0.273 CB 1.138 12 residues pruned to eliminate duplicates Z: 63 43.349 2.122 0.815 0.483 0.968 0.565 CB 1.502 63 residues pruned to eliminate duplicates Z: 11 22.494 2.063 0.756 0.841 1.000 0.700 CA 1.465 11 residues pruned to eliminate duplicates Z: 10 9.578 1.902 0.188 0.864 1.000 1.000 CA 1.035 10 residues pruned to eliminate duplicates Z: 14 25.434 2.187 0.946 0.918 0.923 0.846 CB 1.266 14 residues pruned to eliminate duplicates Z: 13 16.645 1.827 1.017 0.791 0.917 0.750 CA 1.101 13 residues pruned to eliminate duplicates Z: 11 10.330 1.694 0.169 0.869 1.000 0.900 CA 1.204 11 residues pruned to eliminate duplicates Z: 8 8.558 1.709 0.603 0.750 0.714 0.429 CB 1.323 8 residues pruned to eliminate duplicates Z: 24 21.338 2.098 0.477 0.464 0.870 0.739 CB 1.713 24 residues pruned to eliminate duplicates Z: 11 17.220 1.801 1.117 0.768 0.900 0.700 CB 1.252 11 residues pruned to eliminate duplicates Z: 19 13.111 1.870 0.385 0.528 0.889 0.722 CB 1.306 19 residues pruned to eliminate duplicates Z: 12 22.587 1.819 1.151 0.862 1.000 0.909 CA 1.278 12 residues pruned to eliminate duplicates Z: 8 12.538 2.046 0.329 0.834 1.000 0.714 CA 1.306 8 residues pruned to eliminate duplicates Z: 17 31.124 1.999 1.045 0.864 1.000 0.688 CA 1.395 17 residues pruned to eliminate duplicates Z: 34 25.190 2.003 0.583 0.572 0.879 0.697 CB 1.468 34 residues pruned to eliminate duplicates Z: 14 20.106 2.165 0.934 0.633 0.846 0.769 CA 1.389 14 residues pruned to eliminate duplicates Z: 19 24.027 2.080 1.152 0.462 0.944 0.722 CB 1.393 19 residues pruned to eliminate duplicates Z: 51 24.782 1.911 0.779 0.547 0.840 0.520 CB 1.172 51 residues pruned to eliminate duplicates Z: 6 3.995 1.416 0.492 0.792 0.800 0.600 N 0.818 6 residues pruned to eliminate duplicates Z: 18 24.763 1.918 0.873 0.845 0.941 0.647 CB 1.321 18 residues pruned to eliminate duplicates Z: 18 10.084 1.864 0.800 0.278 0.824 0.294 CB 1.137 18 residues pruned to eliminate duplicates Z: 20 14.313 1.935 0.317 0.533 0.842 0.474 CB 1.481 22 residues pruned to eliminate duplicates Z: 17 23.708 1.965 0.901 0.790 0.875 0.750 CB 1.407 17 residues pruned to eliminate duplicates Z: 81 48.539 2.101 0.923 0.557 0.913 0.600 CB 1.392 81 residues pruned to eliminate duplicates Z: 12 19.300 1.946 0.559 0.918 1.000 0.636 CB 1.352 12 residues pruned to eliminate duplicates Z: 13 14.244 1.733 0.434 0.864 1.000 0.750 CB 1.213 13 residues pruned to eliminate duplicates Z: 13 3.754 1.782 0.069 0.286 0.833 0.500 CB 0.869 13 residues pruned to eliminate duplicates Z: 11 12.957 1.805 0.728 0.764 0.800 0.300 CA 1.299 11 residues pruned to eliminate duplicates Z: 9 11.378 2.153 0.307 0.843 0.875 0.625 CA 1.216 9 residues pruned to eliminate duplicates Z: 13 14.526 1.716 0.436 0.918 1.000 0.917 CB 1.200 13 residues pruned to eliminate duplicates Z: 12 12.272 1.850 0.235 0.856 0.909 0.818 CB 1.314 12 residues pruned to eliminate duplicates Z: 11 20.442 2.039 0.626 0.895 1.000 0.900 CA 1.398 11 residues pruned to eliminate duplicates Z: 56 32.328 2.026 0.740 0.417 0.909 0.600 CB 1.483 56 residues pruned to eliminate duplicates Z: 9 7.320 1.533 0.521 0.577 1.000 0.875 N 1.030 Z: 14 14.678 1.971 0.396 0.798 0.923 0.538 CA 1.235 14 residues pruned to eliminate duplicates Z: 12 11.921 1.765 0.473 0.869 0.818 0.818 CB 1.235 12 residues pruned to eliminate duplicates Z: 28 28.100 2.069 0.736 0.565 0.926 0.704 CB 1.527 28 residues pruned to eliminate duplicates Z: 6 4.625 1.432 0.454 0.494 1.000 0.600 CB 0.998 Z: 7 4.412 1.596 0.424 0.422 1.000 0.500 CB 0.860 Z: 12 15.982 1.985 0.587 0.844 0.909 0.636 CA 1.251 12 residues pruned to eliminate duplicates Z: 57 35.187 2.005 0.531 0.540 0.946 0.607 CA 1.556 61 residues pruned to eliminate duplicates Z: 14 23.348 2.037 0.721 0.926 1.000 0.769 CB 1.296 14 residues pruned to eliminate duplicates Z: 19 14.975 1.927 0.393 0.587 0.833 0.611 CB 1.452 19 residues pruned to eliminate duplicates Z: 10 19.091 2.062 0.625 0.781 1.000 0.333 CA 1.482 10 residues pruned to eliminate duplicates Z: 7 3.186 1.425 0.760 0.248 0.667 0.333 CB 1.040 6 1.065 1.025 0.806 0.467 0.600 0.600 CA 0.444 ? Z: 14 25.280 1.996 0.885 0.882 0.923 0.846 CA 1.460 14 residues pruned to eliminate duplicates Z: 72 41.537 2.075 0.826 0.636 0.930 0.648 CB 1.232 72 residues pruned to eliminate duplicates Z: 22 22.297 1.987 0.693 0.575 0.952 0.667 CA 1.413 22 residues pruned to eliminate duplicates Z: 8 2.980 1.363 0.513 0.141 0.857 0.143 O 0.994 8 residues pruned to eliminate duplicates Z: 6 7.400 1.676 0.539 0.789 1.000 1.000 N 0.995 7 residues pruned to eliminate duplicates Z: 6 5.689 1.742 0.696 0.778 0.800 0.800 CA 0.842 6 residues pruned to eliminate duplicates Z: 10 8.898 1.653 0.461 0.665 0.889 0.556 N 1.186 10 residues pruned to eliminate duplicates Z: 12 21.081 1.995 1.322 0.860 0.909 0.636 CA 1.110 12 residues pruned to eliminate duplicates Z: 11 17.822 1.996 0.658 0.812 1.000 0.400 CB 1.297 11 residues pruned to eliminate duplicates Z: 12 17.476 2.025 0.517 0.815 1.000 0.818 CA 1.305 12 residues pruned to eliminate duplicates Z: 8 4.325 1.488 0.179 0.540 0.857 0.571 O 1.045 Z: 12 14.900 1.837 0.584 0.863 0.909 0.727 CB 1.245 12 residues pruned to eliminate duplicates Z: 25 7.628 1.626 0.405 0.322 0.667 0.375 CB 1.243 25 residues pruned to eliminate duplicates Z: 24 26.666 2.040 0.879 0.608 0.913 0.522 CB 1.433 24 residues pruned to eliminate duplicates Z: 17 24.910 1.928 0.777 0.834 1.000 0.812 CB 1.363 17 residues pruned to eliminate duplicates Z: 20 21.665 1.912 0.928 0.549 0.895 0.632 CA 1.436 20 residues pruned to eliminate duplicates Z: 8 15.858 1.783 1.019 0.729 1.000 0.857 CB 1.354 10 residues pruned to eliminate duplicates Z: 11 13.798 1.949 0.436 0.864 1.000 0.800 CB 1.143 11 residues pruned to eliminate duplicates Z: 6 4.187 1.626 0.667 0.382 1.000 0.600 CB 0.783 Z: 21 23.150 2.054 0.812 0.603 0.900 0.800 CB 1.401 21 residues pruned to eliminate duplicates Z: 8 9.836 1.823 0.588 0.661 1.000 0.286 CB 1.106 8 residues pruned to eliminate duplicates Z: 128 71.642 2.175 0.833 0.617 0.961 0.598 CB 1.486 135 residues pruned to eliminate duplicates Z: 21 29.972 2.061 1.094 0.675 0.950 0.650 CB 1.392 21 residues pruned to eliminate duplicates Z: 7 6.411 1.721 0.727 0.595 0.833 0.500 CB 0.965 7 residues pruned to eliminate duplicates Z: 12 15.670 1.733 0.546 0.883 1.000 0.909 CB 1.275 12 residues pruned to eliminate duplicates Z: 37 28.896 2.107 0.696 0.647 0.889 0.694 CB 1.322 37 residues pruned to eliminate duplicates Z: 6 2.286 1.676 0.377 0.287 0.800 0.400 CA 0.703 Z: 9 4.550 1.590 0.095 0.562 0.875 0.750 CB 0.995 Z: 12 26.400 2.019 1.009 0.885 1.000 0.818 CB 1.417 12 residues pruned to eliminate duplicates Z: 8 11.278 1.875 0.538 0.768 1.000 0.714 CA 1.167 8 residues pruned to eliminate duplicates Z: 14 12.312 1.769 0.229 0.817 1.000 0.615 CA 1.193 13 residues pruned to eliminate duplicates Z: 10 7.859 1.767 0.118 0.628 1.000 0.778 CB 1.175 10 residues pruned to eliminate duplicates Z: 22 15.060 1.910 0.443 0.577 0.905 0.619 CB 1.224 23 residues pruned to eliminate duplicates Z: 7 5.759 1.600 0.077 0.603 1.000 0.500 CB 1.237 Z: 15 26.270 2.119 1.068 0.913 1.000 0.786 CB 1.134 15 residues pruned to eliminate duplicates Z: 15 21.158 1.982 0.681 0.906 0.929 0.857 CA 1.300 15 residues pruned to eliminate duplicates Z: 26 16.135 2.080 0.421 0.473 0.840 0.520 CB 1.336 26 residues pruned to eliminate duplicates Z: 11 12.368 1.978 0.429 0.624 0.900 0.400 CB 1.368 11 residues pruned to eliminate duplicates Z: 14 21.937 2.175 0.921 0.935 1.000 0.923 CB 1.015 14 residues pruned to eliminate duplicates Z: 17 26.838 2.102 0.889 0.570 1.000 0.500 CA 1.580 17 residues pruned to eliminate duplicates Z: 61 35.063 2.008 0.770 0.506 0.933 0.417 CB 1.356 49 residues pruned to eliminate duplicates Z: 29 19.539 1.887 0.673 0.636 0.893 0.643 CB 1.153 29 residues pruned to eliminate duplicates Z: 74 40.469 2.108 0.669 0.646 0.918 0.630 CB 1.280 74 residues pruned to eliminate duplicates Z: 53 35.162 2.061 0.690 0.650 0.885 0.596 CB 1.376 53 residues pruned to eliminate duplicates Z: 10 16.768 2.022 0.892 0.732 0.889 0.667 CB 1.334 10 residues pruned to eliminate duplicates Z: 24 24.013 2.075 0.871 0.425 0.913 0.522 CB 1.527 24 residues pruned to eliminate duplicates Z: 18 20.903 1.906 0.763 0.837 0.941 0.647 CB 1.199 18 residues pruned to eliminate duplicates Z: 10 19.981 2.093 0.425 0.894 1.000 0.667 CB 1.602 10 residues pruned to eliminate duplicates Z: 13 15.044 1.622 0.591 0.927 1.000 0.917 CB 1.180 13 residues pruned to eliminate duplicates Z: 29 41.567 2.227 1.136 0.783 0.893 0.607 CB 1.442 29 residues pruned to eliminate duplicates Z: 8 5.461 1.438 0.227 0.538 1.000 0.571 C 1.127 Z: 31 16.980 1.908 0.531 0.448 0.900 0.633 CB 1.244 31 residues pruned to eliminate duplicates Z: 108 60.251 2.117 0.846 0.607 0.944 0.579 CB 1.427 112 residues pruned to eliminate duplicates Z: 11 9.471 1.754 0.513 0.709 0.800 0.500 CB 1.167 11 residues pruned to eliminate duplicates Z: 21 12.769 1.916 0.414 0.455 0.900 0.350 CB 1.225 21 residues pruned to eliminate duplicates Z: 14 3.386 1.552 0.255 0.465 0.769 0.385 CB 0.650 14 residues pruned to eliminate duplicates Z: 8 2.499 1.501 -0.083 0.451 0.714 0.429 N 1.009 8 residues pruned to eliminate duplicates Z: 8 5.169 1.809 0.523 0.326 0.714 0.571 CA 1.202 8 residues pruned to eliminate duplicates Z: 14 23.491 2.186 0.999 0.916 0.923 0.846 CB 1.140 14 residues pruned to eliminate duplicates Z: 13 4.179 1.728 0.744 0.167 0.583 0.500 CB 1.028 13 residues pruned to eliminate duplicates Z: 14 15.467 1.721 0.742 0.764 0.923 0.692 CB 1.227 14 residues pruned to eliminate duplicates Z: 11 14.022 1.974 0.262 0.901 1.000 0.900 CB 1.270 11 residues pruned to eliminate duplicates Z: 9 4.495 1.631 0.290 0.325 1.000 0.625 CB 0.916 10 residues pruned to eliminate duplicates Z: 41 32.102 1.990 0.848 0.541 0.925 0.475 CB 1.434 41 residues pruned to eliminate duplicates Z: 12 27.717 2.019 1.045 0.838 1.000 0.182 CB 1.513 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 23.201 2.119 0.811 0.803 1.000 0.455 CB 1.399 10 residues pruned to eliminate duplicates Z: 13 21.830 2.069 0.757 0.805 1.000 0.500 CB 1.329 13 residues pruned to eliminate duplicates Z: 17 18.988 1.866 0.867 0.558 1.000 0.688 CB 1.288 17 residues pruned to eliminate duplicates Z: 12 21.932 2.085 0.895 0.829 0.818 0.545 CB 1.539 12 residues pruned to eliminate duplicates Z: 17 18.153 1.866 0.846 0.554 1.000 0.562 CB 1.250 17 residues pruned to eliminate duplicates Z: 17 18.018 1.839 0.738 0.596 1.000 0.562 CB 1.285 17 residues pruned to eliminate duplicates Z: 20 14.578 1.824 0.807 0.500 0.789 0.421 CB 1.285 20 residues pruned to eliminate duplicates Z: 31 20.659 1.954 0.448 0.525 0.933 0.667 CB 1.393 31 residues pruned to eliminate duplicates Z: 13 13.932 1.964 0.279 0.673 0.833 0.500 CB 1.638 13 residues pruned to eliminate duplicates Z: 17 14.600 1.929 0.544 0.548 0.938 0.625 CB 1.248 17 residues pruned to eliminate duplicates Z: 19 14.498 1.873 0.438 0.553 0.889 0.444 CB 1.356 19 residues pruned to eliminate duplicates Z: 39 21.746 1.932 0.468 0.581 0.868 0.605 CB 1.325 39 residues pruned to eliminate duplicates Z: 31 18.477 1.939 0.409 0.560 0.867 0.633 CB 1.343 31 residues pruned to eliminate duplicates Z: 40 23.685 1.937 0.440 0.607 0.949 0.641 CB 1.295 35 residues pruned to eliminate duplicates Z: 11 19.102 2.015 0.729 0.827 0.900 0.500 CB 1.451 11 residues pruned to eliminate duplicates Z: 18 17.996 2.025 0.477 0.598 0.941 0.529 CB 1.412 18 residues pruned to eliminate duplicates Z: 18 14.815 1.953 0.573 0.560 0.824 0.412 CB 1.340 18 residues pruned to eliminate duplicates Z: 40 22.256 1.907 0.513 0.563 0.949 0.538 CB 1.225 40 residues pruned to eliminate duplicates Z: 38 27.012 1.953 0.691 0.573 0.892 0.595 CB 1.405 90 residues pruned to eliminate duplicates Z: 12 17.391 2.061 0.822 0.690 0.909 0.636 CB 1.290 12 residues pruned to eliminate duplicates Z: 30 16.762 2.017 0.280 0.524 0.897 0.552 CB 1.313 30 residues pruned to eliminate duplicates Z: 41 22.770 1.901 0.513 0.568 0.925 0.675 CB 1.267 41 residues pruned to eliminate duplicates Z: 20 15.940 1.988 0.568 0.551 0.842 0.474 CB 1.326 20 residues pruned to eliminate duplicates Z: 40 25.575 1.934 0.520 0.603 0.974 0.513 CB 1.296 40 residues pruned to eliminate duplicates Z: 16 12.430 1.952 0.155 0.450 1.000 0.467 CB 1.498 16 residues pruned to eliminate duplicates Z: 35 22.489 1.955 0.430 0.617 0.912 0.588 CB 1.355 35 residues pruned to eliminate duplicates Z: 39 23.454 1.946 0.395 0.597 0.947 0.605 CB 1.349 39 residues pruned to eliminate duplicates Z: 39 21.633 1.900 0.457 0.546 0.921 0.553 CB 1.316 39 residues pruned to eliminate duplicates Z: 8 12.317 1.995 0.192 0.754 1.000 0.714 CB 1.561 Z: 13 15.247 1.904 0.392 0.870 1.000 0.917 CA 1.212 8 residues pruned to eliminate duplicates Z: 13 17.746 1.896 0.612 0.859 1.000 0.667 CA 1.233 13 residues pruned to eliminate duplicates Z: 12 15.817 1.882 0.603 0.804 0.909 0.818 CA 1.334 13 residues pruned to eliminate duplicates Z: 13 17.141 1.943 0.414 0.868 1.000 0.833 CB 1.317 13 residues pruned to eliminate duplicates Z: 20 13.918 1.962 0.350 0.521 0.947 0.579 CB 1.246 20 residues pruned to eliminate duplicates Z: 19 15.676 1.906 0.257 0.693 1.000 0.778 CB 1.292 14 residues pruned to eliminate duplicates Z: 12 17.143 1.937 0.473 0.900 1.000 1.000 CA 1.294 12 residues pruned to eliminate duplicates Z: 39 23.624 1.928 0.454 0.607 0.947 0.579 CB 1.303 56 residues pruned to eliminate duplicates Z: 17 18.248 1.890 0.420 0.783 1.000 0.625 CB 1.326 Z: 19 16.615 1.757 0.638 0.795 1.000 0.889 CB 1.050 18 residues pruned to eliminate duplicates Z: 6 2.815 1.549 0.179 0.787 0.800 0.400 CB 0.669 6 residues pruned to eliminate duplicates Z: 27 15.908 1.788 0.448 0.572 0.923 0.500 CB 1.218 45 residues pruned to eliminate duplicates Z: 38 23.671 1.974 0.502 0.586 0.919 0.568 CB 1.316 38 residues pruned to eliminate duplicates Z: 19 15.985 1.843 0.514 0.693 0.889 0.444 CB 1.274 Z: 6 6.123 1.598 0.269 0.847 1.000 0.400 CB 1.002 6 residues pruned to eliminate duplicates Z: 58 39.544 2.056 0.829 0.628 0.860 0.614 CB 1.436 58 residues pruned to eliminate duplicates Z: 8 5.452 1.913 0.768 0.410 0.714 0.571 CB 0.937 8 residues pruned to eliminate duplicates Z: 72 49.577 2.141 0.909 0.651 0.859 0.521 CB 1.455 72 residues pruned to eliminate duplicates Z: 21 24.083 2.191 0.832 0.482 0.850 0.500 CA 1.607 21 residues pruned to eliminate duplicates Z: 23 21.276 2.072 0.745 0.535 0.773 0.545 CA 1.568 35 residues pruned to eliminate duplicates Z: 27 31.554 2.190 0.832 0.599 0.923 0.500 CA 1.521 27 residues pruned to eliminate duplicates Z: 58 44.082 2.167 0.781 0.628 0.930 0.579 CB 1.443 58 residues pruned to eliminate duplicates Z: 15 27.835 2.264 0.873 0.534 1.000 0.571 CA 1.696 15 residues pruned to eliminate duplicates Z: 17 24.476 2.243 0.821 0.506 0.938 0.688 CA 1.588 17 residues pruned to eliminate duplicates Z: 67 48.667 2.156 0.922 0.679 0.864 0.621 CB 1.420 67 residues pruned to eliminate duplicates Z: 23 19.119 2.061 0.786 0.487 0.773 0.500 CB 1.451 23 residues pruned to eliminate duplicates Z: 21 23.212 2.146 0.915 0.522 0.850 0.600 CA 1.454 21 residues pruned to eliminate duplicates Z: 22 24.112 2.101 0.930 0.531 0.810 0.619 CA 1.555 22 residues pruned to eliminate duplicates Z: 27 30.482 2.193 0.767 0.604 0.923 0.538 CB 1.514 27 residues pruned to eliminate duplicates Z: 44 31.611 2.097 0.789 0.585 0.837 0.558 CB 1.414 44 residues pruned to eliminate duplicates Z: 29 29.197 2.163 0.752 0.684 0.857 0.500 CB 1.435 29 residues pruned to eliminate duplicates Z: 18 20.996 2.127 0.839 0.488 0.882 0.471 CB 1.494 18 residues pruned to eliminate duplicates Z: 18 23.361 2.202 0.670 0.557 0.882 0.706 CA 1.652 18 residues pruned to eliminate duplicates Z: 25 16.964 2.072 0.529 0.482 0.875 0.625 CA 1.273 25 residues pruned to eliminate duplicates Z: 112 55.521 2.093 0.831 0.573 0.910 0.532 CB 1.408 108 residues pruned to eliminate duplicates Z: 15 19.182 2.036 0.369 0.861 1.000 0.714 CB 1.351 15 residues pruned to eliminate duplicates Z: 26 16.743 2.028 0.465 0.558 0.840 0.520 CB 1.269 26 residues pruned to eliminate duplicates Z: 112 56.783 2.101 0.853 0.598 0.901 0.550 CB 1.400 112 residues pruned to eliminate duplicates Z: 15 18.290 1.915 0.523 0.920 0.929 0.714 CB 1.272 15 residues pruned to eliminate duplicates Z: 48 38.928 2.161 0.767 0.697 0.915 0.617 CB 1.358 48 residues pruned to eliminate duplicates Z: 62 40.686 2.093 0.876 0.576 0.918 0.623 CB 1.343 62 residues pruned to eliminate duplicates Z: 18 20.028 2.042 0.972 0.696 0.882 0.588 CB 1.143 18 residues pruned to eliminate duplicates Z: 110 59.054 2.108 0.948 0.588 0.890 0.560 CB 1.423 110 residues pruned to eliminate duplicates Z: 69 45.043 2.022 0.771 0.686 0.941 0.662 CB 1.367 88 residues pruned to eliminate duplicates Z: 112 58.755 2.098 0.954 0.590 0.901 0.505 CB 1.384 112 residues pruned to eliminate duplicates Z: 82 49.761 2.089 0.888 0.654 0.877 0.580 CB 1.387 82 residues pruned to eliminate duplicates Z: 92 50.418 2.103 0.822 0.606 0.868 0.505 CB 1.437 92 residues pruned to eliminate duplicates Z: 125 60.002 2.100 0.878 0.574 0.895 0.500 CB 1.421 125 residues pruned to eliminate duplicates Z: 47 43.631 2.182 0.953 0.726 0.870 0.565 CB 1.416 47 residues pruned to eliminate duplicates Z: 36 26.150 2.089 0.705 0.529 0.857 0.543 CB 1.408 36 residues pruned to eliminate duplicates Z: 32 38.612 2.191 0.949 0.713 0.935 0.677 CB 1.431 32 residues pruned to eliminate duplicates Z: 35 38.841 2.126 0.935 0.715 0.912 0.676 CB 1.462 35 residues pruned to eliminate duplicates Z: 54 42.091 2.101 0.853 0.680 0.925 0.623 CB 1.362 54 residues pruned to eliminate duplicates Z: 54 35.996 2.095 0.870 0.651 0.868 0.472 CB 1.263 54 residues pruned to eliminate duplicates Z: 51 38.864 2.038 0.818 0.682 0.900 0.660 CB 1.394 51 residues pruned to eliminate duplicates Z: 61 48.231 2.184 0.839 0.669 0.917 0.617 CB 1.447 61 residues pruned to eliminate duplicates Z: 51 43.047 2.140 1.030 0.685 0.860 0.460 CB 1.376 51 residues pruned to eliminate duplicates Z: 111 60.063 2.112 0.833 0.623 0.936 0.627 CB 1.406 111 residues pruned to eliminate duplicates Z: 57 47.382 2.120 0.968 0.658 0.929 0.536 CB 1.411 57 residues pruned to eliminate duplicates Z: 92 55.025 2.124 0.804 0.651 0.912 0.538 CB 1.434 92 residues pruned to eliminate duplicates Z: 47 48.835 2.177 1.002 0.761 0.957 0.609 CB 1.369 47 residues pruned to eliminate duplicates Z: 112 59.107 2.097 0.851 0.592 0.928 0.568 CB 1.427 112 residues pruned to eliminate duplicates Z: 33 39.832 2.160 0.991 0.718 0.969 0.500 CB 1.387 33 residues pruned to eliminate duplicates Z: 96 55.250 2.097 0.891 0.580 0.926 0.579 CB 1.429 96 residues pruned to eliminate duplicates Z: 49 33.240 2.015 0.812 0.609 0.854 0.542 CB 1.387 49 residues pruned to eliminate duplicates Z: 37 40.739 2.145 0.848 0.666 0.972 0.694 CA 1.511 37 residues pruned to eliminate duplicates Z: 53 37.188 2.125 0.797 0.602 0.846 0.615 CB 1.449 53 residues pruned to eliminate duplicates Z: 37 38.422 2.132 0.895 0.664 0.944 0.750 CB 1.442 37 residues pruned to eliminate duplicates Z: 98 45.828 2.077 0.813 0.533 0.866 0.515 CB 1.381 98 residues pruned to eliminate duplicates Z: 106 55.641 2.113 0.869 0.556 0.914 0.543 CB 1.424 106 residues pruned to eliminate duplicates Z: 52 40.027 2.069 0.880 0.625 0.902 0.627 CB 1.421 52 residues pruned to eliminate duplicates Z: 53 44.614 2.128 0.964 0.670 0.885 0.596 CB 1.430 53 residues pruned to eliminate duplicates Z: 96 56.552 2.129 0.778 0.643 0.916 0.558 CB 1.465 96 residues pruned to eliminate duplicates Z: 38 38.489 2.119 0.964 0.666 0.919 0.757 CA 1.420 38 residues pruned to eliminate duplicates Z: 58 41.438 2.103 0.816 0.630 0.895 0.596 CB 1.421 58 residues pruned to eliminate duplicates Z: 93 56.025 2.122 0.850 0.591 0.924 0.565 CB 1.476 93 residues pruned to eliminate duplicates Z: 23 32.130 2.000 0.933 0.661 1.000 0.682 CA 1.527 23 residues pruned to eliminate duplicates Z: 37 41.266 2.113 0.878 0.680 1.000 0.722 CA 1.469 37 residues pruned to eliminate duplicates Z: 39 35.314 2.104 0.872 0.623 0.895 0.658 CA 1.448 39 residues pruned to eliminate duplicates Z: 85 55.619 2.098 0.891 0.665 0.952 0.524 CB 1.378 85 residues pruned to eliminate duplicates Z: 74 45.787 2.127 0.848 0.614 0.863 0.658 CB 1.417 74 residues pruned to eliminate duplicates Z: 54 42.837 2.104 0.800 0.689 0.925 0.736 CB 1.413 54 residues pruned to eliminate duplicates Z: 109 57.925 2.120 0.932 0.599 0.898 0.537 CB 1.380 109 residues pruned to eliminate duplicates Z: 73 45.117 2.064 0.783 0.633 0.917 0.625 CB 1.391 73 residues pruned to eliminate duplicates Z: 95 55.561 2.104 0.863 0.603 0.936 0.543 CB 1.416 95 residues pruned to eliminate duplicates Z: 81 52.256 2.096 0.858 0.673 0.913 0.588 CB 1.402 81 residues pruned to eliminate duplicates Z: 29 32.315 2.061 0.864 0.639 0.964 0.571 CB 1.447 29 residues pruned to eliminate duplicates Z: 95 53.959 2.104 0.922 0.563 0.883 0.553 CB 1.466 95 residues pruned to eliminate duplicates Z: 62 43.337 2.049 0.793 0.659 0.951 0.656 CB 1.370 62 residues pruned to eliminate duplicates Z: 111 59.185 2.106 0.865 0.617 0.918 0.627 CB 1.401 111 residues pruned to eliminate duplicates Z: 47 43.921 2.076 0.821 0.745 0.957 0.717 CB 1.438 47 residues pruned to eliminate duplicates Z: 108 54.996 2.083 0.872 0.589 0.916 0.561 CB 1.367 108 residues pruned to eliminate duplicates Z: 95 55.424 2.089 0.901 0.568 0.947 0.543 CB 1.423 95 residues pruned to eliminate duplicates Z: 81 54.494 2.123 0.928 0.662 0.913 0.600 CB 1.404 81 residues pruned to eliminate duplicates Z: 111 59.370 2.108 0.849 0.601 0.945 0.627 CB 1.396 111 residues pruned to eliminate duplicates Z: 111 59.470 2.115 0.827 0.605 0.927 0.618 CB 1.433 111 residues pruned to eliminate duplicates Z: 16 14.842 1.805 0.810 0.657 0.933 0.733 CB 1.086 16 residues pruned to eliminate duplicates Z: 60 38.031 2.039 0.844 0.534 0.915 0.508 CB 1.391 60 residues pruned to eliminate duplicates Z: 18 22.810 2.158 0.871 0.461 0.941 0.412 CB 1.515 18 residues pruned to eliminate duplicates Z: 20 20.428 2.040 0.610 0.458 0.895 0.474 CB 1.664 20 residues pruned to eliminate duplicates Z: 86 52.788 2.096 0.798 0.670 0.929 0.624 CB 1.397 86 residues pruned to eliminate duplicates Z: 67 47.523 2.094 0.718 0.668 0.955 0.652 CB 1.458 67 residues pruned to eliminate duplicates Z: 110 58.374 2.115 0.850 0.588 0.917 0.560 CB 1.432 110 residues pruned to eliminate duplicates Z: 85 51.059 2.116 0.763 0.656 0.905 0.571 CB 1.428 85 residues pruned to eliminate duplicates Z: 81 53.309 2.117 0.792 0.670 0.925 0.588 CB 1.451 81 residues pruned to eliminate duplicates Z: 65 51.845 2.120 0.841 0.666 0.953 0.656 CB 1.495 65 residues pruned to eliminate duplicates Z: 112 57.179 2.099 0.824 0.608 0.910 0.604 CB 1.406 112 residues pruned to eliminate duplicates Z: 62 30.647 1.981 0.778 0.430 0.902 0.525 CB 1.328 68 residues pruned to eliminate duplicates Z: 11 12.874 2.010 0.298 0.660 0.900 0.400 CA 1.495 11 residues pruned to eliminate duplicates Z: 45 36.375 2.126 0.945 0.469 0.955 0.659 CB 1.433 45 residues pruned to eliminate duplicates Z: 92 57.498 2.109 0.884 0.601 0.934 0.659 CB 1.476 92 residues pruned to eliminate duplicates Z: 72 46.776 2.069 0.794 0.631 0.915 0.592 CB 1.444 72 residues pruned to eliminate duplicates Z: 113 57.547 2.096 0.861 0.601 0.929 0.482 CB 1.364 113 residues pruned to eliminate duplicates Z: 58 40.193 2.075 0.805 0.507 0.965 0.561 CB 1.463 58 residues pruned to eliminate duplicates Z: 32 23.507 2.128 0.810 0.408 0.839 0.548 CB 1.440 32 residues pruned to eliminate duplicates Z: 64 39.302 2.045 0.880 0.487 0.889 0.540 CB 1.468 64 residues pruned to eliminate duplicates Z: 33 25.343 2.105 0.748 0.456 0.875 0.531 CB 1.455 33 residues pruned to eliminate duplicates Z: 55 36.547 2.078 0.956 0.501 0.852 0.519 CB 1.435 55 residues pruned to eliminate duplicates Z: 31 20.851 2.044 0.828 0.347 0.867 0.433 CB 1.387 31 residues pruned to eliminate duplicates Z: 121 59.035 2.097 0.774 0.574 0.925 0.625 CB 1.458 121 residues pruned to eliminate duplicates Z: 35 23.138 2.065 0.810 0.406 0.853 0.559 CB 1.374 35 residues pruned to eliminate duplicates Z: 98 51.837 2.077 0.855 0.558 0.907 0.608 CB 1.423 98 residues pruned to eliminate duplicates Z: 27 21.081 2.049 0.928 0.351 0.923 0.462 CB 1.332 27 residues pruned to eliminate duplicates Z: 26 29.427 2.149 0.931 0.438 0.960 0.480 CB 1.575 26 residues pruned to eliminate duplicates Z: 57 40.117 2.072 0.859 0.545 0.946 0.571 CB 1.407 57 residues pruned to eliminate duplicates Z: 35 28.311 2.060 0.830 0.430 0.941 0.500 CB 1.472 35 residues pruned to eliminate duplicates Z: 108 61.000 2.114 0.920 0.612 0.935 0.654 CB 1.399 108 residues pruned to eliminate duplicates Z: 110 49.784 2.067 0.753 0.552 0.890 0.514 CB 1.405 110 residues pruned to eliminate duplicates Z: 112 56.948 2.093 0.793 0.586 0.928 0.568 CB 1.429 112 residues pruned to eliminate duplicates Z: 92 56.298 2.121 0.847 0.578 0.945 0.549 CB 1.478 92 residues pruned to eliminate duplicates Z: 99 50.867 2.071 0.801 0.565 0.898 0.602 CB 1.440 99 residues pruned to eliminate duplicates Z: 118 52.246 2.101 0.769 0.544 0.872 0.581 CB 1.429 118 residues pruned to eliminate duplicates Z: 24 24.136 2.158 1.082 0.381 0.870 0.478 CB 1.463 24 residues pruned to eliminate duplicates Z: 28 22.429 2.021 0.919 0.423 0.963 0.481 CB 1.253 28 residues pruned to eliminate duplicates Z: 26 25.233 2.098 1.052 0.430 1.000 0.520 CB 1.261 26 residues pruned to eliminate duplicates Z: 50 35.841 2.080 0.973 0.447 0.959 0.469 CB 1.374 50 residues pruned to eliminate duplicates Z: 26 21.922 2.121 1.035 0.380 0.840 0.480 CB 1.375 26 residues pruned to eliminate duplicates Z: 58 33.532 2.046 0.857 0.489 0.912 0.509 CB 1.296 58 residues pruned to eliminate duplicates Z: 28 24.535 2.060 0.890 0.462 0.963 0.519 CB 1.309 28 residues pruned to eliminate duplicates Z: 28 23.203 2.036 0.895 0.451 0.889 0.519 CB 1.369 28 residues pruned to eliminate duplicates Z: 97 54.630 2.093 0.818 0.599 0.938 0.635 CB 1.423 97 residues pruned to eliminate duplicates Z: 28 23.733 2.028 0.908 0.422 0.926 0.556 CB 1.383 28 residues pruned to eliminate duplicates Z: 12 9.005 1.828 0.531 0.304 0.909 0.364 CB 1.327 12 residues pruned to eliminate duplicates Z: 9 9.816 2.031 0.864 0.362 1.000 0.500 CB 1.063 9 residues pruned to eliminate duplicates Z: 7 10.080 2.038 1.082 0.411 1.000 0.500 CB 1.064 7 residues pruned to eliminate duplicates Z: 104 58.579 2.159 0.852 0.647 0.932 0.553 CB 1.351 104 residues pruned to eliminate duplicates Z: 94 55.923 2.163 0.786 0.645 0.935 0.656 CB 1.402 94 residues pruned to eliminate duplicates Z: 22 28.713 2.140 0.946 0.547 0.952 0.714 CA 1.508 22 residues pruned to eliminate duplicates Z: 23 30.107 2.206 0.884 0.561 0.955 0.727 CA 1.524 23 residues pruned to eliminate duplicates Z: 22 29.540 2.166 1.004 0.558 0.952 0.714 CB 1.475 22 residues pruned to eliminate duplicates Z: 104 58.864 2.155 0.793 0.639 0.922 0.592 CB 1.429 104 residues pruned to eliminate duplicates Z: 138 66.801 2.155 0.783 0.587 0.934 0.606 CB 1.463 138 residues pruned to eliminate duplicates Z: 88 52.181 2.147 0.774 0.649 0.943 0.586 CB 1.356 88 residues pruned to eliminate duplicates Z: 83 55.063 2.185 0.765 0.669 0.939 0.659 CB 1.437 83 residues pruned to eliminate duplicates Z: 23 29.542 2.163 0.820 0.540 1.000 0.591 CB 1.538 23 residues pruned to eliminate duplicates Z: 25 22.871 2.023 0.923 0.504 0.917 0.583 CB 1.304 25 residues pruned to eliminate duplicates Z: 35 43.249 2.268 0.741 0.656 0.912 0.676 CA 1.783 35 residues pruned to eliminate duplicates Z: 105 57.923 2.164 0.774 0.636 0.913 0.654 CB 1.425 105 residues pruned to eliminate duplicates Z: 33 23.681 2.046 0.713 0.455 0.906 0.500 CB 1.379 33 residues pruned to eliminate duplicates Z: 106 61.064 2.170 0.818 0.648 0.933 0.590 CB 1.411 106 residues pruned to eliminate duplicates Z: 104 60.911 2.164 0.836 0.659 0.932 0.592 CB 1.398 104 residues pruned to eliminate duplicates Z: 86 52.192 2.170 0.730 0.653 0.906 0.588 CB 1.444 86 residues pruned to eliminate duplicates Z: 105 55.435 2.149 0.736 0.647 0.913 0.596 CB 1.390 105 residues pruned to eliminate duplicates Z: 89 47.181 2.126 0.701 0.619 0.886 0.614 CB 1.403 89 residues pruned to eliminate duplicates Z: 86 49.198 2.123 0.713 0.655 0.906 0.647 CB 1.402 86 residues pruned to eliminate duplicates Z: 117 58.917 2.156 0.764 0.566 0.922 0.595 CB 1.463 115 residues pruned to eliminate duplicates Z: 14 31.132 2.265 0.626 0.902 1.000 0.615 CA 1.671 14 residues pruned to eliminate duplicates Z: 120 56.980 2.132 0.780 0.563 0.899 0.571 CB 1.440 120 residues pruned to eliminate duplicates Z: 103 60.170 2.165 0.796 0.658 0.931 0.608 CB 1.421 103 residues pruned to eliminate duplicates Z: 54 42.871 2.177 0.823 0.675 0.906 0.547 CB 1.394 54 residues pruned to eliminate duplicates Z: 138 66.640 2.148 0.824 0.568 0.927 0.613 CB 1.467 138 residues pruned to eliminate duplicates Z: 104 59.279 2.171 0.770 0.630 0.942 0.650 CB 1.429 104 residues pruned to eliminate duplicates Z: 105 57.942 2.174 0.844 0.650 0.885 0.644 CB 1.393 105 residues pruned to eliminate duplicates Z: 70 43.031 2.092 0.708 0.674 0.913 0.609 CB 1.352 70 residues pruned to eliminate duplicates Z: 102 58.579 2.140 0.837 0.653 0.911 0.584 CB 1.412 102 residues pruned to eliminate duplicates Z: 134 66.894 2.194 0.802 0.573 0.917 0.571 CB 1.490 134 residues pruned to eliminate duplicates Z: 39 41.468 2.201 0.991 0.655 0.947 0.553 CB 1.402 39 residues pruned to eliminate duplicates Z: 70 57.880 2.231 0.921 0.657 0.942 0.696 CB 1.491 70 residues pruned to eliminate duplicates Z: 71 55.407 2.227 0.776 0.669 0.971 0.600 CB 1.475 71 residues pruned to eliminate duplicates Z: 69 45.296 2.112 0.884 0.663 0.941 0.603 CB 1.261 69 residues pruned to eliminate duplicates Z: 118 60.749 2.149 0.829 0.571 0.932 0.573 CB 1.432 118 residues pruned to eliminate duplicates Z: 133 63.303 2.150 0.892 0.548 0.902 0.591 CB 1.434 133 residues pruned to eliminate duplicates Z: 99 59.425 2.174 0.836 0.648 0.929 0.633 CB 1.411 99 residues pruned to eliminate duplicates Z: 101 53.938 2.126 0.914 0.570 0.900 0.580 CB 1.376 101 residues pruned to eliminate duplicates Z: 68 46.298 2.126 0.917 0.672 0.955 0.567 CB 1.240 68 residues pruned to eliminate duplicates Z: 62 41.752 2.082 0.865 0.672 0.934 0.623 CB 1.257 62 residues pruned to eliminate duplicates Z: 93 51.828 2.147 0.825 0.535 0.946 0.576 CB 1.408 93 residues pruned to eliminate duplicates Z: 85 49.207 2.153 0.787 0.641 0.917 0.524 CB 1.334 85 residues pruned to eliminate duplicates Z: 85 53.483 2.159 0.741 0.692 0.952 0.619 CB 1.368 85 residues pruned to eliminate duplicates Z: 133 62.377 2.131 0.911 0.549 0.894 0.644 CB 1.422 133 residues pruned to eliminate duplicates Z: 25 23.552 2.024 0.975 0.547 0.917 0.667 CB 1.254 25 residues pruned to eliminate duplicates Z: 72 54.593 2.191 0.896 0.662 0.944 0.620 CB 1.422 72 residues pruned to eliminate duplicates Z: 134 65.944 2.168 0.825 0.563 0.940 0.609 CB 1.446 134 residues pruned to eliminate duplicates Z: 40 38.680 2.217 0.840 0.629 0.923 0.538 CB 1.458 40 residues pruned to eliminate duplicates Z: 38 29.900 2.104 0.880 0.679 0.919 0.568 CB 1.147 38 residues pruned to eliminate duplicates Z: 131 68.503 2.196 0.806 0.586 0.938 0.554 CB 1.486 131 residues pruned to eliminate duplicates Z: 49 33.227 2.085 0.807 0.696 0.854 0.625 CB 1.246 49 residues pruned to eliminate duplicates Z: 133 64.855 2.156 0.824 0.546 0.932 0.591 CB 1.474 133 residues pruned to eliminate duplicates Z: 61 42.713 2.178 0.709 0.660 0.917 0.567 CB 1.393 61 residues pruned to eliminate duplicates Z: 69 45.143 2.111 0.845 0.654 0.941 0.676 CB 1.294 69 residues pruned to eliminate duplicates Z: 139 64.108 2.144 0.741 0.556 0.957 0.638 CB 1.447 139 residues pruned to eliminate duplicates Z: 135 65.565 2.164 0.777 0.568 0.948 0.612 CB 1.455 135 residues pruned to eliminate duplicates Z: 85 56.838 2.179 0.828 0.690 0.917 0.607 CB 1.427 88 residues pruned to eliminate duplicates Z: 17 26.118 1.967 1.051 0.782 0.875 0.688 CB 1.443 17 residues pruned to eliminate duplicates Z: 71 42.324 2.100 0.805 0.630 0.914 0.629 CB 1.292 71 residues pruned to eliminate duplicates Z: 101 58.250 2.145 0.799 0.668 0.930 0.630 CB 1.390 101 residues pruned to eliminate duplicates Z: 103 50.411 2.105 0.797 0.538 0.912 0.618 CB 1.395 103 residues pruned to eliminate duplicates Z: 102 55.177 2.149 0.807 0.627 0.911 0.594 CB 1.378 102 residues pruned to eliminate duplicates Z: 136 63.228 2.140 0.781 0.570 0.941 0.593 CB 1.418 136 residues pruned to eliminate duplicates Z: 107 61.417 2.160 0.833 0.598 0.943 0.623 CB 1.454 107 residues pruned to eliminate duplicates Z: 70 39.667 2.118 0.742 0.474 0.928 0.551 CB 1.432 70 residues pruned to eliminate duplicates Z: 22 16.557 1.953 0.566 0.628 0.905 0.667 CB 1.158 22 residues pruned to eliminate duplicates Z: 129 58.863 2.127 0.803 0.524 0.906 0.602 CB 1.463 129 residues pruned to eliminate duplicates Z: 115 59.426 2.183 0.845 0.558 0.895 0.535 CB 1.460 115 residues pruned to eliminate duplicates Z: 64 41.084 2.122 0.755 0.483 0.937 0.540 CB 1.510 64 residues pruned to eliminate duplicates Z: 66 40.407 2.104 0.833 0.454 0.923 0.538 CB 1.476 66 residues pruned to eliminate duplicates Z: 103 46.239 2.114 0.695 0.544 0.892 0.618 CB 1.371 103 residues pruned to eliminate duplicates Z: 39 29.301 2.067 0.705 0.621 0.947 0.658 CB 1.270 39 residues pruned to eliminate duplicates Z: 137 61.860 2.157 0.780 0.563 0.904 0.603 CB 1.437 137 residues pruned to eliminate duplicates Z: 70 40.458 2.116 0.722 0.495 0.928 0.609 CB 1.448 70 residues pruned to eliminate duplicates Z: 84 48.810 2.136 0.763 0.645 0.928 0.602 CB 1.339 84 residues pruned to eliminate duplicates Z: 40 28.771 2.046 0.807 0.621 0.872 0.667 CB 1.275 40 residues pruned to eliminate duplicates Z: 33 31.427 2.074 0.917 0.657 0.906 0.594 CB 1.333 33 residues pruned to eliminate duplicates Z: 15 22.695 1.975 0.907 0.699 1.000 0.286 CB 1.344 15 residues pruned to eliminate duplicates Z: 72 41.365 2.076 0.827 0.490 0.915 0.577 CB 1.428 72 residues pruned to eliminate duplicates Z: 75 43.296 2.086 0.844 0.459 0.932 0.486 CB 1.463 75 residues pruned to eliminate duplicates Z: 25 29.713 2.025 0.996 0.599 1.000 0.583 CB 1.365 25 residues pruned to eliminate duplicates Z: 33 29.974 2.062 0.832 0.645 0.906 0.688 CB 1.352 33 residues pruned to eliminate duplicates Z: 40 31.623 2.038 0.896 0.587 0.923 0.462 CB 1.306 40 residues pruned to eliminate duplicates Z: 40 32.520 2.029 0.906 0.600 0.949 0.564 CB 1.290 40 residues pruned to eliminate duplicates Z: 41 27.517 2.030 0.707 0.588 0.925 0.625 CB 1.247 41 residues pruned to eliminate duplicates Z: 54 36.841 2.126 0.778 0.402 0.943 0.547 CB 1.573 54 residues pruned to eliminate duplicates Z: 40 29.028 2.053 0.868 0.589 0.897 0.538 CB 1.240 40 residues pruned to eliminate duplicates Z: 69 46.090 2.116 0.945 0.646 0.941 0.603 CB 1.260 69 residues pruned to eliminate duplicates Z: 71 40.649 2.071 0.838 0.598 0.929 0.614 CB 1.252 71 residues pruned to eliminate duplicates Z: 53 33.550 2.111 0.738 0.420 0.904 0.519 CB 1.525 53 residues pruned to eliminate duplicates Z: 65 45.412 2.133 0.903 0.483 0.938 0.625 CB 1.518 66 residues pruned to eliminate duplicates Z: 13 11.872 1.876 0.485 0.702 0.917 0.417 CB 1.116 13 residues pruned to eliminate duplicates Z: 40 29.668 2.071 0.817 0.597 0.897 0.590 CB 1.282 40 residues pruned to eliminate duplicates Z: 26 22.063 2.033 0.795 0.478 0.920 0.400 CB 1.344 26 residues pruned to eliminate duplicates Z: 34 29.326 2.081 0.762 0.621 0.939 0.576 CB 1.322 34 residues pruned to eliminate duplicates Z: 66 39.486 2.105 0.756 0.508 0.938 0.554 CB 1.400 66 residues pruned to eliminate duplicates Z: 30 31.298 2.080 0.854 0.675 0.931 0.483 CB 1.378 30 residues pruned to eliminate duplicates Z: 56 34.764 2.030 0.833 0.446 0.909 0.491 CB 1.466 56 residues pruned to eliminate duplicates Z: 63 43.316 2.147 0.849 0.485 0.919 0.516 CB 1.530 63 residues pruned to eliminate duplicates Z: 71 41.117 2.104 0.835 0.489 0.900 0.543 CB 1.431 71 residues pruned to eliminate duplicates Z: 33 28.015 2.164 0.840 0.343 0.906 0.531 CB 1.628 33 residues pruned to eliminate duplicates Z: 24 25.753 2.125 0.942 0.364 0.957 0.478 CB 1.574 24 residues pruned to eliminate duplicates Z: 35 26.964 2.119 0.817 0.320 0.912 0.441 CA 1.606 35 residues pruned to eliminate duplicates Z: 48 35.986 2.155 0.827 0.416 0.915 0.489 CB 1.592 48 residues pruned to eliminate duplicates Z: 35 23.899 2.137 0.757 0.334 0.824 0.529 CA 1.589 35 residues pruned to eliminate duplicates Z: 66 42.577 2.130 0.893 0.480 0.892 0.523 CB 1.498 66 residues pruned to eliminate duplicates Z: 72 41.714 2.084 0.826 0.475 0.944 0.493 CB 1.414 72 residues pruned to eliminate duplicates Z: 65 38.727 2.131 0.832 0.464 0.891 0.531 CB 1.444 65 residues pruned to eliminate duplicates Z: 34 28.525 2.129 0.923 0.335 0.909 0.545 CB 1.598 33 residues pruned to eliminate duplicates Z: 6 5.165 1.743 0.993 0.385 0.800 0.400 CA 0.939 6 residues pruned to eliminate duplicates Z: 33 28.707 2.182 0.789 0.361 0.938 0.562 CA 1.610 33 residues pruned to eliminate duplicates Z: 32 29.670 2.201 0.879 0.351 0.935 0.548 CA 1.620 34 residues pruned to eliminate duplicates Z: 7 5.902 1.770 0.515 0.341 1.000 0.500 CB 1.068 7 residues pruned to eliminate duplicates Z: 33 25.687 2.169 0.824 0.335 0.875 0.500 CA 1.571 32 residues pruned to eliminate duplicates Z: 6 4.645 1.678 0.658 0.241 1.000 0.600 CA 1.007 6 residues pruned to eliminate duplicates Z: 63 41.910 2.100 0.878 0.470 0.903 0.484 CB 1.540 63 residues pruned to eliminate duplicates Z: 65 39.838 2.088 0.846 0.485 0.906 0.500 CB 1.448 65 residues pruned to eliminate duplicates Z: 33 28.673 2.140 0.815 0.364 0.906 0.469 CA 1.667 33 residues pruned to eliminate duplicates Z: 6 10.323 1.941 0.468 0.486 1.000 0.400 CA 1.643 6 residues pruned to eliminate duplicates Z: 54 39.286 2.144 0.860 0.426 0.943 0.566 CB 1.548 53 residues pruned to eliminate duplicates Z: 6 5.901 1.845 0.832 0.261 0.800 0.600 CA 1.283 7 residues pruned to eliminate duplicates Z: 9 10.909 2.001 0.728 0.704 0.875 0.750 CA 1.059 9 residues pruned to eliminate duplicates Z: 10 6.406 1.641 0.548 0.493 0.778 0.667 CA 1.088 10 residues pruned to eliminate duplicates Z: 12 11.343 1.983 0.543 0.554 0.909 0.727 CA 1.167 12 residues pruned to eliminate duplicates Z: 14 12.691 1.974 0.407 0.685 0.846 0.769 CA 1.263 14 residues pruned to eliminate duplicates Z: 13 12.484 1.870 0.423 0.700 0.833 0.583 CA 1.354 13 residues pruned to eliminate duplicates Z: 15 10.461 1.905 0.521 0.577 0.786 0.429 CA 1.140 15 residues pruned to eliminate duplicates Z: 12 20.707 2.094 0.808 0.749 1.000 0.727 CA 1.320 12 residues pruned to eliminate duplicates Z: 13 17.873 2.006 0.731 0.669 0.917 0.583 CA 1.386 13 residues pruned to eliminate duplicates Z: 12 17.996 2.046 0.636 0.743 1.000 0.727 CA 1.304 12 residues pruned to eliminate duplicates Z: 13 17.987 2.084 0.609 0.679 0.917 0.500 CB 1.433 12 residues pruned to eliminate duplicates Z: 12 19.089 2.203 0.387 0.725 1.000 0.727 CA 1.538 12 residues pruned to eliminate duplicates Z: 22 21.837 1.973 0.608 0.453 0.952 0.619 N 1.655 22 residues pruned to eliminate duplicates Z: 21 26.630 2.122 0.669 0.618 0.950 0.500 CA 1.583 21 residues pruned to eliminate duplicates Z: 12 19.770 2.090 0.702 0.797 0.909 0.455 CA 1.422 12 residues pruned to eliminate duplicates Z: 20 22.833 2.096 0.442 0.562 1.000 0.684 CA 1.632 20 residues pruned to eliminate duplicates Z: 23 24.162 2.008 0.934 0.461 0.864 0.591 CB 1.599 23 residues pruned to eliminate duplicates Z: 22 25.159 2.063 0.638 0.589 0.952 0.571 CB 1.566 22 residues pruned to eliminate duplicates Z: 21 27.143 2.128 0.734 0.550 0.950 0.650 CA 1.650 21 residues pruned to eliminate duplicates Z: 20 23.188 2.125 0.712 0.521 0.895 0.579 CA 1.602 20 residues pruned to eliminate duplicates Z: 22 23.009 2.108 0.413 0.548 1.000 0.667 CA 1.609 22 residues pruned to eliminate duplicates Z: 27 22.475 2.062 0.604 0.483 0.846 0.538 CA 1.601 27 residues pruned to eliminate duplicates Z: 24 19.306 2.054 0.492 0.466 0.913 0.652 CA 1.489 24 residues pruned to eliminate duplicates Z: 25 26.219 2.088 0.672 0.545 0.958 0.708 CA 1.531 26 residues pruned to eliminate duplicates Z: 12 26.548 1.967 1.312 0.839 0.909 0.818 CA 1.446 12 residues pruned to eliminate duplicates Z: 36 26.581 2.028 0.684 0.560 0.857 0.514 CB 1.448 36 residues pruned to eliminate duplicates Z: 32 29.009 2.049 0.720 0.583 0.903 0.645 CB 1.511 32 residues pruned to eliminate duplicates Z: 33 29.807 2.030 0.742 0.583 0.938 0.531 CB 1.467 33 residues pruned to eliminate duplicates Z: 35 24.967 1.971 0.771 0.528 0.882 0.500 CB 1.351 35 residues pruned to eliminate duplicates Z: 27 25.609 2.136 0.692 0.497 0.885 0.423 CB 1.576 27 residues pruned to eliminate duplicates Z: 33 27.343 2.030 0.673 0.564 0.906 0.594 CB 1.477 33 residues pruned to eliminate duplicates Z: 34 24.995 2.007 0.685 0.588 0.879 0.636 CB 1.345 34 residues pruned to eliminate duplicates Z: 33 32.727 2.030 0.764 0.634 0.969 0.688 CB 1.471 33 residues pruned to eliminate duplicates Z: 11 33.022 2.053 1.450 0.827 1.000 0.700 CA 1.565 11 residues pruned to eliminate duplicates Z: 33 30.809 2.017 0.740 0.585 0.969 0.719 CB 1.476 33 residues pruned to eliminate duplicates Z: 28 26.553 2.095 0.758 0.496 0.926 0.704 CB 1.505 28 residues pruned to eliminate duplicates Z: 20 24.499 2.020 0.881 0.554 0.895 0.579 CB 1.568 20 residues pruned to eliminate duplicates Z: 34 25.433 2.000 0.654 0.589 0.909 0.606 CB 1.352 34 residues pruned to eliminate duplicates Z: 34 28.202 2.012 0.672 0.586 0.939 0.758 CB 1.430 34 residues pruned to eliminate duplicates Z: 53 36.914 2.073 0.639 0.554 0.942 0.596 CB 1.517 53 residues pruned to eliminate duplicates Z: 31 26.912 2.059 0.705 0.477 0.967 0.500 CB 1.481 31 residues pruned to eliminate duplicates Z: 29 26.678 2.083 0.640 0.509 0.964 0.571 CB 1.517 29 residues pruned to eliminate duplicates Z: 46 32.377 2.076 0.604 0.561 0.911 0.556 CB 1.498 46 residues pruned to eliminate duplicates Z: 33 27.894 2.013 0.742 0.564 0.906 0.594 CB 1.459 33 residues pruned to eliminate duplicates Z: 14 13.978 1.952 0.375 0.629 1.000 0.692 CB 1.279 14 residues pruned to eliminate duplicates Z: 30 28.969 2.089 0.759 0.547 0.931 0.690 CB 1.502 30 residues pruned to eliminate duplicates Z: 28 22.020 2.044 0.544 0.465 0.926 0.556 CB 1.502 28 residues pruned to eliminate duplicates Z: 32 29.224 2.049 0.784 0.607 0.935 0.645 CB 1.387 32 residues pruned to eliminate duplicates Z: 31 28.569 2.072 0.743 0.591 0.933 0.633 CB 1.418 31 residues pruned to eliminate duplicates Z: 20 9.734 1.837 0.469 0.496 0.895 0.684 CB 0.929 20 residues pruned to eliminate duplicates Z: 34 29.401 2.009 0.852 0.568 0.939 0.667 CB 1.371 34 residues pruned to eliminate duplicates Z: 33 28.109 2.003 0.633 0.626 0.969 0.688 CB 1.392 33 residues pruned to eliminate duplicates Z: 32 27.612 2.052 0.805 0.603 0.871 0.677 CB 1.393 32 residues pruned to eliminate duplicates 382 residues left after pruning, divided into chains as follows: A: 6 B: 174 C: 136 D: 12 E: 54 CC for partial structure against native data = 39.42 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.466, Connect. = 0.696 for dens.mod. cycle 1 = 0.303, Contrast = 0.536, Connect. = 0.724 for dens.mod. cycle 2 = 0.303, Contrast = 0.640, Connect. = 0.759 for dens.mod. cycle 3 = 0.303, Contrast = 0.647, Connect. = 0.760 for dens.mod. cycle 4 = 0.303, Contrast = 0.657, Connect. = 0.762 for dens.mod. cycle 5 = 0.303, Contrast = 0.660, Connect. = 0.763 for dens.mod. cycle 6 = 0.303, Contrast = 0.665, Connect. = 0.765 for dens.mod. cycle 7 = 0.303, Contrast = 0.666, Connect. = 0.767 for dens.mod. cycle 8 = 0.303, Contrast = 0.668, Connect. = 0.768 for dens.mod. cycle 9 = 0.303, Contrast = 0.669, Connect. = 0.768 for dens.mod. cycle 10 TimeTaking 172.62