null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:54:16 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: ./2ash-2.1-parrot-mrncs/2ash-2.1-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2ash-2.1-parrot-mrncs/2ash-2.1-parrot-mrncs.ins Phases from ./2ash-2.1-parrot-mrncs/2ash-2.1-parrot-mrncs.phi Native data from ./2ash-2.1-parrot-mrncs/2ash-2.1-parrot-mrncs.hkl Listing output to ./2ash-2.1-parrot-mrncs/2ash-2.1-parrot-mrncs.lst Phases output to ./2ash-2.1-parrot-mrncs/2ash-2.1-parrot-mrncs.phs Poly-Ala trace output to ./2ash-2.1-parrot-mrncs/2ash-2.1-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: C 1 2 1 Allowed origin shift code: 3 100148 Reflections read from file ./2ash-2.1-parrot-mrncs/2ash-2.1-parrot-mrncs.phi 100148 Reflections read from file ./2ash-2.1-parrot-mrncs/2ash-2.1-parrot-mrncs.hkl 100148 Unique data, highest resolution = 2.100 Angstroms Anisotropic scaling: intensities multiplied by 0.000048h^2 -0.000083k^2 +0.000019l^2 +0.000000kl +0.000049hl +0.000000hk 66 Reflections with d > 2.300 and 0 in range 2.300 > d > 2.100 added Density sharpening factor set to 0.60 Fourier grid = 256 x 256 x 90 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|> = 0.766 = 0.275, Contrast = 0.370, Connect. = 0.725 for dens.mod. cycle 1 = 0.278, Contrast = 0.353, Connect. = 0.678 for dens.mod. cycle 2 = 0.283, Contrast = 0.470, Connect. = 0.728 for dens.mod. cycle 3 = 0.288, Contrast = 0.524, Connect. = 0.746 for dens.mod. cycle 4 = 0.294, Contrast = 0.552, Connect. = 0.754 for dens.mod. cycle 5 = 0.297, Contrast = 0.572, Connect. = 0.760 for dens.mod. cycle 6 = 0.300, Contrast = 0.594, Connect. = 0.766 for dens.mod. cycle 7 = 0.300, Contrast = 0.613, Connect. = 0.771 for dens.mod. cycle 8 = 0.300, Contrast = 0.632, Connect. = 0.776 for dens.mod. cycle 9 = 0.300, Contrast = 0.643, Connect. = 0.779 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 7197 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1805 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 28.331 2.044 1.161 0.849 0.909 0.818 CA 1.577 B: 12 27.976 2.145 1.026 0.853 1.000 0.818 CA 1.434 12 residues pruned to eliminate duplicates C: 30 43.429 2.082 0.877 0.933 1.000 0.862 CA 1.441 D: 29 37.306 1.968 0.614 0.925 1.000 0.893 CA 1.558 E: 11 21.771 2.078 0.742 0.848 1.000 1.000 CB 1.411 F: 11 26.607 2.205 0.777 0.838 1.000 0.700 CB 1.604 11 residues pruned to eliminate duplicates G: 8 17.893 2.100 0.479 0.901 1.000 1.000 CA 1.554 H: 11 32.989 2.290 1.048 0.888 1.000 1.000 CA 1.603 12 residues pruned to eliminate duplicates I: 29 42.318 2.013 0.823 0.934 1.000 0.857 CB 1.520 29 residues pruned to eliminate duplicates J: 8 26.718 2.369 1.041 0.911 0.857 0.857 CB 1.726 K: 11 18.477 1.942 0.396 0.829 1.000 0.700 CA 1.622 L: 8 24.854 2.146 1.069 0.861 1.000 0.714 CA 1.555 8 residues pruned to eliminate duplicates M: 31 43.000 2.116 0.798 0.917 1.000 0.833 CA 1.456 31 residues pruned to eliminate duplicates N: 11 17.494 2.104 0.479 0.756 0.900 0.800 CB 1.573 12 residues pruned to eliminate duplicates O: 9 10.123 1.865 1.000 0.486 0.750 0.375 CB 1.297 P: 10 17.742 2.150 0.489 0.800 0.889 0.333 CB 1.598 10 residues pruned to eliminate duplicates Q: 12 29.332 2.045 0.925 0.885 1.000 0.818 CB 1.622 R: 8 16.381 2.084 0.692 0.842 1.000 0.714 CA 1.309 S: 12 27.048 1.974 0.943 0.851 1.000 0.909 CB 1.573 10 residues pruned to eliminate duplicates T: 28 35.164 1.939 0.770 0.933 1.000 0.889 CB 1.376 U: 8 21.900 2.336 0.437 0.886 1.000 0.857 CB 1.779 8 residues pruned to eliminate duplicates V: 11 20.343 1.959 1.234 0.724 0.900 0.600 CB 1.334 11 residues pruned to eliminate duplicates W: 28 41.117 2.047 0.815 0.929 1.000 0.926 CB 1.490 28 residues pruned to eliminate duplicates X: 13 25.170 2.067 0.827 0.894 1.000 0.833 CA 1.380 Y: 14 23.766 1.961 1.106 0.810 0.923 0.769 CB 1.320 13 residues pruned to eliminate duplicates Z: 30 42.332 2.096 1.158 0.931 0.828 0.448 CB 1.467 30 residues pruned to eliminate duplicates Z: 6 11.131 2.016 0.387 0.651 1.000 1.000 CB 1.546 Z: 29 33.322 1.905 0.772 0.925 0.964 0.750 CB 1.358 27 residues pruned to eliminate duplicates Z: 10 17.108 2.161 0.312 0.872 1.000 0.556 CB 1.466 10 residues pruned to eliminate duplicates Z: 7 12.956 1.908 0.715 0.836 0.833 0.667 CB 1.452 Z: 22 31.577 1.998 0.825 0.929 1.000 0.905 CB 1.323 22 residues pruned to eliminate duplicates Z: 8 19.450 2.176 0.678 0.865 0.857 0.714 CB 1.721 8 residues pruned to eliminate duplicates Z: 6 5.751 1.802 -0.011 0.858 1.000 0.800 CA 1.063 Z: 19 33.335 2.044 1.149 0.909 0.889 0.389 CB 1.428 19 residues pruned to eliminate duplicates Z: 11 23.285 2.041 0.720 0.882 1.000 0.900 CB 1.518 11 residues pruned to eliminate duplicates Z: 31 42.699 1.982 0.939 0.889 0.967 0.767 CA 1.510 29 residues pruned to eliminate duplicates Z: 31 48.324 2.095 0.966 0.926 1.000 0.800 CB 1.502 31 residues pruned to eliminate duplicates Z: 15 21.109 1.842 0.705 0.817 0.929 0.643 CA 1.468 Z: 16 22.355 1.859 0.740 0.857 1.000 0.800 CB 1.315 Z: 11 10.421 1.937 0.516 0.560 0.800 0.800 CB 1.324 Z: 9 14.312 1.951 0.325 0.844 1.000 1.000 CB 1.456 Z: 29 33.417 1.877 0.949 0.920 0.964 0.821 CB 1.261 29 residues pruned to eliminate duplicates Z: 12 26.989 2.213 1.035 0.847 0.818 0.636 CA 1.640 11 residues pruned to eliminate duplicates Z: 6 12.594 2.128 0.228 0.859 1.000 1.000 CB 1.586 Z: 8 27.247 1.955 1.320 0.902 1.000 1.000 CA 1.619 8 residues pruned to eliminate duplicates Z: 31 51.519 2.129 1.077 0.895 0.967 0.800 CA 1.578 31 residues pruned to eliminate duplicates Z: 31 46.076 2.143 0.949 0.942 0.967 0.833 CA 1.445 31 residues pruned to eliminate duplicates Z: 26 21.071 2.034 0.606 0.531 0.880 0.640 CB 1.422 8 residues pruned to eliminate duplicates Z: 29 32.713 1.820 0.794 0.900 0.964 0.857 CA 1.402 Z: 19 31.156 1.986 0.958 0.834 0.944 0.444 CB 1.498 15 residues pruned to eliminate duplicates Z: 13 40.064 2.158 1.476 0.907 1.000 1.000 CA 1.539 14 residues pruned to eliminate duplicates Z: 31 41.928 2.068 0.859 0.922 0.933 0.733 CB 1.500 31 residues pruned to eliminate duplicates Z: 29 32.997 1.829 0.816 0.919 0.964 0.893 CA 1.373 29 residues pruned to eliminate duplicates Z: 31 50.566 2.091 1.165 0.947 1.000 0.533 CB 1.409 31 residues pruned to eliminate duplicates Z: 11 16.270 1.918 0.655 0.806 0.900 0.700 CA 1.380 11 residues pruned to eliminate duplicates Z: 10 12.821 1.811 0.547 0.728 0.889 0.889 CA 1.398 Z: 31 48.733 2.140 0.933 0.928 0.967 0.833 CA 1.558 31 residues pruned to eliminate duplicates Z: 12 32.507 2.178 1.529 0.895 0.909 0.818 CB 1.403 12 residues pruned to eliminate duplicates Z: 7 10.796 1.701 0.293 0.840 1.000 1.000 CB 1.496 Z: 9 14.914 1.890 0.511 0.823 1.000 0.875 CB 1.396 9 residues pruned to eliminate duplicates Z: 20 31.492 1.948 0.958 0.870 0.947 0.526 CB 1.459 Z: 14 22.101 1.875 0.714 0.772 1.000 0.923 CA 1.500 Z: 27 36.931 1.970 0.993 0.926 0.962 0.769 CB 1.345 28 residues pruned to eliminate duplicates Z: 13 26.696 1.942 1.292 0.872 0.917 0.750 CA 1.377 Z: 8 16.396 1.838 0.622 0.873 1.000 0.857 CB 1.514 7 residues pruned to eliminate duplicates Z: 8 16.406 1.947 0.602 0.864 1.000 1.000 N 1.458 8 residues pruned to eliminate duplicates Z: 14 25.979 2.038 0.769 0.860 1.000 0.846 CB 1.470 14 residues pruned to eliminate duplicates Z: 9 27.563 2.105 1.054 0.887 1.000 0.500 CA 1.625 9 residues pruned to eliminate duplicates Z: 13 35.511 2.158 1.287 0.925 1.000 0.917 CA 1.457 13 residues pruned to eliminate duplicates Z: 10 15.463 1.852 0.711 0.826 0.889 0.667 CB 1.379 10 residues pruned to eliminate duplicates Z: 11 3.604 1.903 0.660 0.149 0.500 0.400 CB 1.112 Z: 13 23.367 1.832 0.977 0.881 0.917 0.667 CA 1.471 13 residues pruned to eliminate duplicates Z: 12 31.942 2.189 1.021 0.895 1.000 0.818 CB 1.560 12 residues pruned to eliminate duplicates Z: 9 21.452 1.966 0.990 0.793 1.000 0.500 CB 1.499 9 residues pruned to eliminate duplicates Z: 27 34.866 1.911 1.062 0.892 1.000 0.846 CB 1.246 27 residues pruned to eliminate duplicates Z: 9 11.202 1.760 0.566 0.745 1.000 0.750 CB 1.154 Z: 10 17.850 2.033 0.386 0.833 1.000 0.667 CB 1.584 Z: 9 24.821 2.101 1.224 0.877 0.875 0.500 CB 1.559 9 residues pruned to eliminate duplicates Z: 7 14.625 1.814 0.581 0.847 1.000 0.667 O 1.546 6 residues pruned to eliminate duplicates Z: 23 32.434 1.923 0.914 0.848 0.955 0.636 CA 1.460 Z: 11 43.866 2.215 1.575 0.908 1.000 0.800 CB 1.728 11 residues pruned to eliminate duplicates Z: 7 9.822 1.902 0.482 0.767 0.833 0.833 CA 1.347 Z: 11 20.573 1.921 0.430 0.873 1.000 0.800 CA 1.724 11 residues pruned to eliminate duplicates Z: 12 29.955 2.120 1.281 0.893 0.909 0.545 CA 1.475 12 residues pruned to eliminate duplicates Z: 27 33.202 1.886 0.787 0.919 0.923 0.885 CA 1.474 27 residues pruned to eliminate duplicates Z: 7 13.878 2.015 1.003 0.816 0.833 0.667 CB 1.280 7 residues pruned to eliminate duplicates Z: 8 16.611 1.960 0.762 0.780 1.000 0.714 CB 1.420 8 residues pruned to eliminate duplicates Z: 14 8.171 1.800 0.384 0.509 0.923 0.538 CB 0.976 Z: 12 26.624 2.069 0.779 0.861 1.000 0.818 CA 1.603 12 residues pruned to eliminate duplicates Z: 7 3.044 1.766 0.230 0.248 0.667 0.500 CB 1.147 Z: 22 30.465 1.973 0.815 0.929 0.952 0.905 CB 1.364 22 residues pruned to eliminate duplicates Z: 9 5.611 1.754 0.109 0.560 0.750 0.625 N 1.282 Z: 13 31.187 2.101 0.860 0.936 1.000 0.833 CB 1.605 13 residues pruned to eliminate duplicates Z: 9 22.277 2.027 0.851 0.908 1.000 1.000 CB 1.491 Z: 6 16.110 2.093 1.053 0.800 1.000 0.600 CB 1.290 6 residues pruned to eliminate duplicates Z: 25 22.557 2.019 0.714 0.513 0.917 0.667 CB 1.434 29 residues pruned to eliminate duplicates Z: 21 22.175 2.000 0.782 0.603 0.900 0.650 CB 1.402 11 residues pruned to eliminate duplicates Z: 6 12.634 2.049 1.058 0.694 1.000 0.800 CB 1.122 6 residues pruned to eliminate duplicates Z: 13 18.112 1.702 0.829 0.851 1.000 0.750 CA 1.243 Z: 13 26.485 2.054 0.926 0.921 0.833 0.750 CB 1.633 13 residues pruned to eliminate duplicates Z: 31 38.863 2.031 1.134 0.913 0.867 0.633 CB 1.337 31 residues pruned to eliminate duplicates Z: 7 6.694 1.842 0.685 0.841 1.000 0.833 CB 0.656 7 residues pruned to eliminate duplicates Z: 15 27.195 1.963 0.690 0.921 1.000 0.929 CB 1.541 Z: 13 32.594 2.017 1.057 0.923 1.000 0.750 CA 1.594 13 residues pruned to eliminate duplicates Z: 13 23.163 1.975 0.695 0.831 0.917 0.833 CA 1.637 13 residues pruned to eliminate duplicates Z: 28 26.734 1.916 0.860 0.657 0.926 0.556 CB 1.347 24 residues pruned to eliminate duplicates Z: 13 8.029 1.801 0.494 0.401 0.917 0.500 CB 1.043 Z: 12 31.745 2.156 1.051 0.876 1.000 0.727 CA 1.573 12 residues pruned to eliminate duplicates Z: 13 33.245 2.169 1.202 0.888 0.917 0.583 CB 1.579 13 residues pruned to eliminate duplicates Z: 12 16.315 1.765 0.578 0.826 0.818 0.545 N 1.628 12 residues pruned to eliminate duplicates Z: 9 14.552 1.709 0.650 0.724 1.000 0.875 N 1.491 Z: 29 44.382 2.005 1.164 0.950 0.964 0.500 CB 1.382 30 residues pruned to eliminate duplicates Z: 6 5.302 1.988 0.334 0.801 1.000 1.000 CB 0.687 6 residues pruned to eliminate duplicates Z: 7 17.950 2.068 0.966 0.881 1.000 0.667 CB 1.305 8 residues pruned to eliminate duplicates Z: 16 29.194 1.933 0.763 0.931 1.000 0.933 CA 1.546 15 residues pruned to eliminate duplicates Z: 6 7.247 1.679 0.734 0.474 1.000 0.400 CA 1.143 6 residues pruned to eliminate duplicates Z: 12 33.979 2.314 1.018 0.884 1.000 0.545 CB 1.585 12 residues pruned to eliminate duplicates Z: 13 31.098 2.058 0.915 0.920 1.000 0.917 CA 1.604 12 residues pruned to eliminate duplicates Z: 15 21.879 1.958 0.606 0.917 0.929 0.857 CA 1.413 15 residues pruned to eliminate duplicates Z: 15 22.569 1.896 0.707 0.863 1.000 0.857 CB 1.368 15 residues pruned to eliminate duplicates Z: 27 31.254 1.908 1.181 0.887 0.962 0.654 CB 1.105 27 residues pruned to eliminate duplicates Z: 7 13.262 1.966 0.758 0.798 1.000 0.667 CA 1.207 7 residues pruned to eliminate duplicates Z: 13 29.410 2.067 0.841 0.920 1.000 1.000 CB 1.571 13 residues pruned to eliminate duplicates Z: 15 27.451 2.003 0.945 0.891 0.929 0.857 CB 1.457 16 residues pruned to eliminate duplicates Z: 46 21.353 1.996 0.653 0.411 0.844 0.422 CB 1.254 12 residues pruned to eliminate duplicates Z: 17 27.506 1.967 0.830 0.831 0.938 0.875 CA 1.531 Z: 11 25.569 1.999 0.856 0.900 1.000 0.800 CA 1.556 Z: 16 15.874 1.777 0.653 0.753 0.867 0.733 CB 1.285 16 residues pruned to eliminate duplicates Z: 18 14.339 1.850 1.265 0.474 0.706 0.294 CB 1.207 15 residues pruned to eliminate duplicates Z: 11 17.654 1.887 0.606 0.787 0.900 0.800 CB 1.590 11 residues pruned to eliminate duplicates Z: 12 31.866 2.066 1.412 0.865 1.000 0.727 CA 1.413 12 residues pruned to eliminate duplicates Z: 17 20.248 1.744 0.704 0.904 1.000 0.812 CA 1.213 13 residues pruned to eliminate duplicates Z: 9 8.514 1.836 0.544 0.596 1.000 0.875 CB 0.969 9 residues pruned to eliminate duplicates Z: 12 29.215 2.091 0.797 0.936 1.000 1.000 CB 1.633 12 residues pruned to eliminate duplicates Z: 13 17.516 1.747 0.680 0.889 1.000 0.833 CA 1.241 12 residues pruned to eliminate duplicates Z: 8 7.327 1.755 0.815 0.311 0.714 0.429 N 1.501 Z: 17 21.672 1.715 0.908 0.855 0.938 0.625 CA 1.304 17 residues pruned to eliminate duplicates Z: 60 38.229 2.076 0.871 0.462 0.881 0.593 CB 1.511 39 residues pruned to eliminate duplicates Z: 9 11.510 1.922 0.865 0.393 0.875 0.625 CA 1.453 Z: 8 19.471 1.896 0.729 0.885 1.000 0.857 CB 1.621 7 residues pruned to eliminate duplicates Z: 7 15.209 1.846 0.706 0.854 1.000 0.667 N 1.456 5 residues pruned to eliminate duplicates Z: 9 21.972 1.995 0.915 0.833 1.000 0.750 CA 1.525 9 residues pruned to eliminate duplicates Z: 17 16.213 1.672 0.563 0.688 1.000 0.625 CA 1.306 16 residues pruned to eliminate duplicates Z: 9 12.891 1.719 0.759 0.807 1.000 0.625 CA 1.154 9 residues pruned to eliminate duplicates Z: 37 25.506 2.011 0.802 0.477 0.833 0.444 CB 1.441 37 residues pruned to eliminate duplicates Z: 14 25.545 1.887 1.034 0.933 0.923 0.615 CB 1.396 14 residues pruned to eliminate duplicates Z: 10 16.075 1.981 0.316 0.891 1.000 0.889 CA 1.478 20 residues pruned to eliminate duplicates Z: 8 14.059 1.896 0.884 0.740 1.000 0.714 CA 1.199 8 residues pruned to eliminate duplicates Z: 24 31.857 1.904 1.004 0.872 0.913 0.348 CB 1.390 23 residues pruned to eliminate duplicates Z: 9 5.543 1.911 0.344 0.281 0.875 0.375 CB 1.116 2 residues pruned to eliminate duplicates Z: 16 12.293 1.738 0.743 0.461 0.800 0.533 CB 1.361 Z: 29 20.305 1.867 0.764 0.525 0.857 0.571 CB 1.326 Z: 28 40.396 2.066 1.110 0.913 0.889 0.556 CB 1.420 28 residues pruned to eliminate duplicates Z: 16 29.065 1.906 0.975 0.895 0.933 0.800 CA 1.531 15 residues pruned to eliminate duplicates Z: 16 22.778 1.761 0.768 0.892 1.000 0.933 CA 1.358 16 residues pruned to eliminate duplicates Z: 17 23.009 1.952 0.387 0.857 1.000 0.812 CA 1.566 17 residues pruned to eliminate duplicates Z: 13 35.856 2.138 1.420 0.934 1.000 0.833 CB 1.395 13 residues pruned to eliminate duplicates Z: 20 15.099 1.762 0.532 0.549 0.947 0.579 CB 1.291 5 residues pruned to eliminate duplicates Z: 7 7.532 1.838 0.711 0.656 0.667 0.667 CA 1.268 7 residues pruned to eliminate duplicates Z: 14 6.178 1.510 0.531 0.371 0.769 0.308 CB 1.106 Z: 6 8.752 1.912 0.604 0.825 0.800 0.600 CB 1.204 6 residues pruned to eliminate duplicates Z: 10 13.679 1.748 0.629 0.794 0.889 0.778 CA 1.392 9 residues pruned to eliminate duplicates Z: 32 51.971 2.092 1.020 0.925 1.000 0.903 CA 1.551 32 residues pruned to eliminate duplicates Z: 34 23.552 1.841 0.797 0.549 0.970 0.515 CB 1.217 34 residues pruned to eliminate duplicates Z: 14 17.457 2.008 0.563 0.840 0.846 0.769 CB 1.361 14 residues pruned to eliminate duplicates Z: 17 26.778 1.784 0.857 0.895 1.000 0.875 CA 1.449 16 residues pruned to eliminate duplicates Z: 17 17.110 1.744 0.533 0.884 1.000 0.938 CA 1.156 17 residues pruned to eliminate duplicates Z: 12 25.661 1.964 1.365 0.827 0.909 0.545 CA 1.381 12 residues pruned to eliminate duplicates Z: 23 25.668 1.907 0.427 0.925 1.000 0.955 CA 1.411 22 residues pruned to eliminate duplicates Z: 18 25.287 1.907 0.654 0.831 0.941 0.706 CA 1.552 18 residues pruned to eliminate duplicates Z: 11 19.824 1.984 0.613 0.816 1.000 0.600 CA 1.489 11 residues pruned to eliminate duplicates Z: 28 29.686 2.099 0.820 0.581 0.963 0.667 CB 1.437 28 residues pruned to eliminate duplicates Z: 36 20.936 2.005 0.545 0.475 0.886 0.543 CB 1.323 30 residues pruned to eliminate duplicates Z: 9 15.118 1.967 0.666 0.884 1.000 0.750 CB 1.178 9 residues pruned to eliminate duplicates Z: 11 12.053 2.025 0.548 0.421 0.900 0.700 CB 1.466 3 residues pruned to eliminate duplicates Z: 27 18.163 1.949 0.629 0.536 0.885 0.615 CB 1.225 34 residues pruned to eliminate duplicates Z: 28 26.055 1.993 0.803 0.569 0.926 0.519 CB 1.409 8 residues pruned to eliminate duplicates Z: 9 18.101 2.044 1.076 0.815 0.750 0.750 CB 1.529 9 residues pruned to eliminate duplicates Z: 12 35.454 2.158 1.262 0.913 0.909 0.636 CA 1.704 12 residues pruned to eliminate duplicates Z: 11 14.897 2.080 0.226 0.874 0.900 0.800 CB 1.495 11 residues pruned to eliminate duplicates Z: 17 26.968 1.844 0.967 0.906 1.000 0.438 CB 1.322 17 residues pruned to eliminate duplicates Z: 16 31.053 1.930 1.084 0.923 1.000 0.867 CB 1.400 16 residues pruned to eliminate duplicates Z: 13 22.997 1.952 0.850 0.893 0.917 0.417 CA 1.439 13 residues pruned to eliminate duplicates Z: 16 25.482 1.923 0.811 0.876 0.933 0.733 CA 1.472 Z: 8 13.825 1.986 0.695 0.766 1.000 0.571 CA 1.226 8 residues pruned to eliminate duplicates Z: 9 13.711 1.895 0.574 0.791 0.875 0.625 CA 1.438 9 residues pruned to eliminate duplicates Z: 10 18.103 1.860 0.648 0.837 1.000 0.556 CA 1.473 10 residues pruned to eliminate duplicates Z: 12 17.019 1.885 0.750 0.829 0.818 0.727 CB 1.430 12 residues pruned to eliminate duplicates Z: 13 26.119 2.030 0.843 0.875 0.917 0.833 CB 1.599 13 residues pruned to eliminate duplicates Z: 25 39.853 2.012 0.988 0.886 0.958 0.833 CB 1.530 25 residues pruned to eliminate duplicates Z: 14 25.842 1.940 0.792 0.899 1.000 0.538 CB 1.473 14 residues pruned to eliminate duplicates Z: 17 16.188 1.737 0.229 0.897 1.000 0.875 CB 1.357 Z: 25 29.811 1.928 0.767 0.725 0.958 0.833 CB 1.521 16 residues pruned to eliminate duplicates Z: 32 23.747 1.993 0.857 0.501 0.871 0.677 CB 1.321 32 residues pruned to eliminate duplicates Z: 11 18.368 1.876 0.915 0.846 0.800 0.500 CA 1.502 11 residues pruned to eliminate duplicates Z: 14 26.795 1.948 0.944 0.889 0.923 0.769 CA 1.531 14 residues pruned to eliminate duplicates Z: 8 16.889 2.182 0.329 0.897 1.000 1.000 CA 1.576 8 residues pruned to eliminate duplicates Z: 23 35.072 1.963 0.891 0.938 0.955 0.727 CB 1.468 23 residues pruned to eliminate duplicates Z: 15 22.713 1.904 0.609 0.924 1.000 1.000 CA 1.391 15 residues pruned to eliminate duplicates Z: 29 47.956 2.020 1.253 0.930 0.964 0.464 CB 1.444 29 residues pruned to eliminate duplicates Z: 15 25.820 1.972 0.671 0.890 0.929 0.786 CB 1.623 15 residues pruned to eliminate duplicates Z: 15 27.026 1.987 0.733 0.917 1.000 0.857 CA 1.481 15 residues pruned to eliminate duplicates Z: 10 10.811 2.122 0.289 0.778 0.667 0.667 CB 1.547 10 residues pruned to eliminate duplicates Z: 11 22.011 1.888 0.793 0.926 1.000 0.800 CB 1.441 11 residues pruned to eliminate duplicates Z: 12 21.338 1.904 0.526 0.924 1.000 0.909 CA 1.555 12 residues pruned to eliminate duplicates Z: 29 43.068 2.024 1.032 0.932 0.964 0.607 CB 1.434 29 residues pruned to eliminate duplicates Z: 8 13.257 1.746 0.784 0.820 1.000 0.571 CB 1.219 9 residues pruned to eliminate duplicates Z: 12 26.990 2.029 0.996 0.919 1.000 0.909 CB 1.416 12 residues pruned to eliminate duplicates Z: 13 26.125 2.045 0.713 0.894 1.000 0.667 CA 1.544 13 residues pruned to eliminate duplicates Z: 8 15.764 1.902 0.759 0.768 1.000 0.714 CA 1.404 9 residues pruned to eliminate duplicates Z: 31 50.275 2.118 1.109 0.933 0.933 0.567 CB 1.537 31 residues pruned to eliminate duplicates Z: 9 15.550 1.885 0.556 0.824 1.000 0.875 CA 1.417 Z: 17 24.159 1.945 0.606 0.833 0.938 0.750 CB 1.547 17 residues pruned to eliminate duplicates Z: 11 24.742 2.040 0.701 0.870 1.000 1.000 CB 1.646 11 residues pruned to eliminate duplicates Z: 11 16.300 1.816 0.762 0.898 1.000 0.900 CB 1.153 Z: 30 43.293 1.992 1.148 0.925 0.931 0.655 CB 1.417 30 residues pruned to eliminate duplicates Z: 10 20.616 2.100 0.531 0.836 1.000 0.889 CB 1.599 10 residues pruned to eliminate duplicates Z: 31 36.437 2.067 0.713 0.912 0.933 0.933 CA 1.425 31 residues pruned to eliminate duplicates Z: 14 17.889 1.920 0.443 0.844 0.923 0.923 CA 1.444 14 residues pruned to eliminate duplicates Z: 17 19.502 1.662 0.653 0.868 1.000 0.750 CA 1.297 17 residues pruned to eliminate duplicates Z: 16 23.302 1.904 0.645 0.884 1.000 0.800 CA 1.388 17 residues pruned to eliminate duplicates Z: 6 4.879 1.743 0.321 0.373 0.800 0.600 O 1.357 Z: 13 22.712 1.975 0.682 0.879 0.917 0.917 CB 1.561 13 residues pruned to eliminate duplicates Z: 9 15.078 1.907 0.680 0.868 1.000 1.000 CB 1.216 9 residues pruned to eliminate duplicates Z: 11 19.443 2.034 0.778 0.907 0.900 0.900 CA 1.343 11 residues pruned to eliminate duplicates Z: 26 18.894 1.990 0.858 0.497 0.880 0.520 CB 1.165 35 residues pruned to eliminate duplicates Z: 27 28.710 1.977 0.811 0.635 1.000 0.654 CB 1.385 27 residues pruned to eliminate duplicates Z: 29 48.620 2.052 0.975 0.947 1.000 0.893 CB 1.566 29 residues pruned to eliminate duplicates Z: 10 19.669 1.980 0.630 0.844 1.000 0.889 CA 1.511 10 residues pruned to eliminate duplicates Z: 14 21.963 1.978 0.557 0.883 0.923 0.769 CA 1.549 14 residues pruned to eliminate duplicates Z: 26 26.333 1.842 0.579 0.869 1.000 0.880 CA 1.323 24 residues pruned to eliminate duplicates Z: 8 16.694 2.111 0.439 0.908 1.000 1.000 CB 1.475 Z: 8 3.883 1.567 0.300 0.488 0.714 0.714 CB 1.021 Z: 15 6.619 1.518 1.014 0.268 0.857 0.429 CB 0.879 15 residues pruned to eliminate duplicates Z: 14 17.560 1.728 0.575 0.862 1.000 0.615 CA 1.313 14 residues pruned to eliminate duplicates Z: 10 11.286 1.701 0.513 0.858 0.889 0.556 CB 1.211 10 residues pruned to eliminate duplicates Z: 14 19.685 1.893 0.586 0.850 0.923 0.923 CA 1.458 14 residues pruned to eliminate duplicates Z: 11 7.760 1.750 0.558 0.380 0.900 0.400 N 1.136 11 residues pruned to eliminate duplicates Z: 14 21.256 1.825 0.910 0.896 0.846 0.615 CB 1.432 14 residues pruned to eliminate duplicates Z: 21 31.109 2.119 1.363 0.588 0.900 0.600 CB 1.419 17 residues pruned to eliminate duplicates Z: 16 12.063 1.644 0.537 0.556 1.000 0.600 CB 1.168 17 residues pruned to eliminate duplicates Z: 10 15.139 1.793 0.623 0.840 1.000 0.889 CB 1.294 9 residues pruned to eliminate duplicates Z: 14 25.625 1.890 1.087 0.860 1.000 0.692 CA 1.325 14 residues pruned to eliminate duplicates Z: 9 20.671 1.944 0.918 0.919 1.000 0.875 CB 1.381 9 residues pruned to eliminate duplicates Z: 16 25.814 1.920 1.004 0.944 0.933 0.800 CB 1.285 16 residues pruned to eliminate duplicates Z: 9 17.348 1.895 0.968 0.855 1.000 0.875 CB 1.214 10 residues pruned to eliminate duplicates Z: 25 20.440 1.887 1.050 0.423 0.833 0.583 CB 1.402 25 residues pruned to eliminate duplicates Z: 7 22.292 2.042 0.944 0.869 1.000 0.833 CA 1.674 8 residues pruned to eliminate duplicates Z: 12 37.454 2.192 1.438 0.872 1.000 0.727 CB 1.540 12 residues pruned to eliminate duplicates Z: 16 26.848 1.934 0.809 0.864 0.933 0.667 CA 1.556 16 residues pruned to eliminate duplicates Z: 35 17.737 1.882 0.609 0.457 0.882 0.588 CB 1.189 Z: 23 32.413 1.914 0.906 0.929 0.909 0.545 CB 1.459 23 residues pruned to eliminate duplicates Z: 28 42.349 1.900 1.040 0.919 0.963 0.667 CA 1.539 29 residues pruned to eliminate duplicates Z: 12 22.412 1.843 0.966 0.929 0.909 0.909 CA 1.437 12 residues pruned to eliminate duplicates Z: 21 15.142 1.957 0.351 0.581 0.850 0.300 CB 1.394 21 residues pruned to eliminate duplicates Z: 22 13.198 1.839 0.494 0.471 0.905 0.571 CB 1.193 22 residues pruned to eliminate duplicates Z: 32 39.192 2.058 0.747 0.917 0.968 0.871 CA 1.428 32 residues pruned to eliminate duplicates Z: 18 22.512 1.828 0.594 0.884 1.000 0.647 CA 1.354 17 residues pruned to eliminate duplicates Z: 16 25.916 1.968 0.932 0.894 0.933 0.800 CB 1.353 16 residues pruned to eliminate duplicates Z: 15 30.723 1.953 0.935 0.914 1.000 0.500 CB 1.536 15 residues pruned to eliminate duplicates Z: 31 58.321 2.151 1.233 0.923 0.967 0.833 CA 1.610 30 residues pruned to eliminate duplicates Z: 24 30.070 1.890 0.818 0.912 0.870 0.696 CA 1.487 24 residues pruned to eliminate duplicates Z: 15 28.972 1.962 0.945 0.893 0.929 0.857 CA 1.569 15 residues pruned to eliminate duplicates Z: 7 9.539 1.905 0.923 0.649 0.833 0.500 CB 1.110 7 residues pruned to eliminate duplicates Z: 24 28.337 1.884 0.555 0.907 1.000 0.913 CA 1.434 24 residues pruned to eliminate duplicates Z: 23 29.870 1.914 0.602 0.886 1.000 0.955 CA 1.499 23 residues pruned to eliminate duplicates Z: 11 18.592 2.105 0.593 0.934 1.000 1.000 CA 1.222 11 residues pruned to eliminate duplicates Z: 36 16.153 1.728 0.564 0.420 0.886 0.486 CB 1.240 33 residues pruned to eliminate duplicates Z: 20 31.697 2.112 1.172 0.917 0.947 0.842 CB 1.181 20 residues pruned to eliminate duplicates Z: 12 31.839 2.117 0.920 0.909 1.000 0.455 CB 1.676 13 residues pruned to eliminate duplicates Z: 22 13.445 1.845 0.750 0.479 0.810 0.667 CB 1.147 14 residues pruned to eliminate duplicates Z: 11 40.440 2.355 1.476 0.894 1.000 0.400 CB 1.573 11 residues pruned to eliminate duplicates Z: 25 20.707 1.913 0.705 0.503 0.958 0.792 CB 1.347 23 residues pruned to eliminate duplicates Z: 9 19.466 1.908 0.686 0.898 1.000 0.875 CA 1.530 9 residues pruned to eliminate duplicates Z: 23 29.900 1.916 0.645 0.926 0.955 0.909 CA 1.486 23 residues pruned to eliminate duplicates Z: 16 14.688 1.765 0.707 0.820 0.933 0.600 CB 1.022 16 residues pruned to eliminate duplicates Z: 12 17.227 2.068 0.646 0.926 1.000 1.000 CA 1.070 12 residues pruned to eliminate duplicates Z: 9 9.733 1.987 0.299 0.620 1.000 0.875 CB 1.190 Z: 17 7.498 1.604 0.398 0.459 0.812 0.438 CB 1.073 Z: 13 26.381 1.903 0.953 0.931 1.000 0.833 CA 1.432 13 residues pruned to eliminate duplicates Z: 14 32.427 1.974 1.218 0.922 1.000 0.538 CB 1.444 14 residues pruned to eliminate duplicates Z: 21 13.762 1.642 0.685 0.555 0.850 0.550 CB 1.240 17 residues pruned to eliminate duplicates Z: 30 42.963 2.016 0.902 0.913 0.966 0.931 CA 1.526 30 residues pruned to eliminate duplicates Z: 18 24.004 1.842 0.698 0.791 0.941 0.765 CA 1.532 18 residues pruned to eliminate duplicates Z: 30 53.746 2.180 0.998 0.949 1.000 0.897 CB 1.581 30 residues pruned to eliminate duplicates Z: 27 39.183 1.937 1.093 0.917 0.962 0.615 CB 1.391 29 residues pruned to eliminate duplicates Z: 11 38.958 2.343 1.572 0.924 1.000 0.900 CB 1.436 12 residues pruned to eliminate duplicates Z: 18 20.546 1.749 0.512 0.886 1.000 0.765 CA 1.360 17 residues pruned to eliminate duplicates Z: 31 48.136 2.097 1.012 0.932 1.000 0.833 CA 1.454 31 residues pruned to eliminate duplicates Z: 18 27.856 1.880 0.817 0.890 0.941 0.882 CA 1.512 17 residues pruned to eliminate duplicates Z: 14 21.220 1.785 0.917 0.827 1.000 0.615 CA 1.296 14 residues pruned to eliminate duplicates Z: 16 24.591 1.899 0.764 0.850 0.933 0.600 CB 1.504 16 residues pruned to eliminate duplicates Z: 9 14.781 1.927 0.518 0.712 1.000 0.625 CA 1.473 10 residues pruned to eliminate duplicates Z: 9 13.361 1.905 0.912 0.743 0.875 0.625 CB 1.193 9 residues pruned to eliminate duplicates Z: 12 28.528 2.153 1.256 0.897 1.000 0.909 CA 1.268 12 residues pruned to eliminate duplicates Z: 7 17.212 1.861 0.961 0.861 1.000 0.833 N 1.415 7 residues pruned to eliminate duplicates Z: 15 10.070 1.913 0.836 0.475 0.786 0.500 CB 1.001 15 residues pruned to eliminate duplicates Z: 15 19.820 1.909 0.611 0.907 0.929 0.857 CB 1.319 Z: 8 17.913 1.740 0.911 0.878 1.000 0.857 N 1.478 8 residues pruned to eliminate duplicates Z: 21 35.511 1.994 1.230 0.926 0.950 0.900 CB 1.318 21 residues pruned to eliminate duplicates Z: 13 21.725 1.888 0.908 0.810 0.917 0.417 CB 1.451 13 residues pruned to eliminate duplicates Z: 13 9.098 1.722 0.474 0.446 0.833 0.417 CB 1.314 13 residues pruned to eliminate duplicates Z: 13 13.827 1.889 0.555 0.612 0.917 0.667 CB 1.333 Z: 12 42.676 2.149 1.789 0.888 0.909 0.909 CB 1.701 12 residues pruned to eliminate duplicates Z: 8 15.632 2.293 0.307 0.855 1.000 0.857 CB 1.455 8 residues pruned to eliminate duplicates Z: 25 25.488 1.803 0.644 0.823 1.000 0.542 CB 1.327 Z: 7 8.674 1.742 0.249 0.790 0.833 0.500 C 1.513 6 residues pruned to eliminate duplicates Z: 24 34.063 1.864 0.878 0.866 1.000 0.739 CA 1.485 24 residues pruned to eliminate duplicates Z: 8 16.568 1.732 0.789 0.882 1.000 1.000 N 1.463 8 residues pruned to eliminate duplicates Z: 8 10.127 1.926 0.622 0.704 0.714 0.286 CB 1.424 8 residues pruned to eliminate duplicates Z: 13 31.482 1.997 1.121 0.929 1.000 0.917 CB 1.502 13 residues pruned to eliminate duplicates Z: 13 31.497 2.124 1.151 0.919 1.000 0.833 CA 1.403 13 residues pruned to eliminate duplicates Z: 6 8.905 1.966 0.428 0.597 1.000 0.800 CB 1.293 6 residues pruned to eliminate duplicates Z: 7 13.463 1.870 0.478 0.894 1.000 1.000 CB 1.426 7 residues pruned to eliminate duplicates Z: 16 22.785 1.918 0.771 0.921 0.933 0.800 CB 1.306 16 residues pruned to eliminate duplicates Z: 7 10.077 1.962 0.236 0.814 0.833 0.833 CA 1.550 7 residues pruned to eliminate duplicates Z: 15 21.981 1.881 0.643 0.859 0.929 0.857 CA 1.508 13 residues pruned to eliminate duplicates Z: 18 26.439 1.842 0.718 0.885 1.000 0.882 CA 1.462 18 residues pruned to eliminate duplicates Z: 55 29.257 2.042 0.706 0.396 0.907 0.500 CB 1.406 46 residues pruned to eliminate duplicates Z: 13 16.221 1.820 0.524 0.926 1.000 1.000 CB 1.184 Z: 14 21.702 1.789 0.807 0.892 1.000 0.846 CB 1.338 14 residues pruned to eliminate duplicates Z: 15 27.320 1.960 0.809 0.912 0.929 0.714 CA 1.571 15 residues pruned to eliminate duplicates Z: 27 35.715 1.837 0.986 0.928 1.000 0.885 CA 1.344 27 residues pruned to eliminate duplicates Z: 14 16.326 1.844 0.453 0.830 0.846 0.692 CA 1.502 14 residues pruned to eliminate duplicates Z: 25 23.189 1.789 0.503 0.906 0.958 0.917 CA 1.306 25 residues pruned to eliminate duplicates Z: 13 23.858 1.879 0.985 0.934 0.917 0.583 CB 1.405 13 residues pruned to eliminate duplicates Z: 24 28.742 1.902 0.778 0.912 0.957 0.826 CB 1.312 24 residues pruned to eliminate duplicates Z: 11 18.236 1.957 0.796 0.856 0.800 0.600 CB 1.513 11 residues pruned to eliminate duplicates Z: 7 11.428 2.002 0.589 0.722 0.833 0.667 CA 1.439 7 residues pruned to eliminate duplicates Z: 30 30.097 1.969 0.968 0.607 0.897 0.586 CB 1.453 26 residues pruned to eliminate duplicates Z: 12 22.030 1.816 0.911 0.913 0.909 0.545 CB 1.489 12 residues pruned to eliminate duplicates Z: 7 14.841 1.873 0.777 0.711 1.000 0.833 CA 1.504 7 residues pruned to eliminate duplicates Z: 11 17.279 1.984 0.889 0.795 0.900 0.700 CB 1.251 11 residues pruned to eliminate duplicates Z: 21 34.547 1.981 0.951 0.888 0.950 0.600 CA 1.516 21 residues pruned to eliminate duplicates Z: 13 15.075 1.734 0.645 0.731 0.833 0.417 CB 1.488 11 residues pruned to eliminate duplicates Z: 11 22.992 1.873 0.789 0.885 1.000 1.000 CA 1.567 12 residues pruned to eliminate duplicates Z: 30 36.247 1.818 0.854 0.930 1.000 0.793 CA 1.396 30 residues pruned to eliminate duplicates Z: 9 6.592 1.566 0.228 0.715 0.750 0.750 N 1.329 9 residues pruned to eliminate duplicates Z: 15 21.194 1.937 0.595 0.889 0.929 0.929 CA 1.422 15 residues pruned to eliminate duplicates Z: 10 13.303 1.902 0.969 0.611 1.000 0.556 CB 1.066 10 residues pruned to eliminate duplicates Z: 9 12.768 1.949 0.526 0.906 1.000 0.750 CB 1.080 9 residues pruned to eliminate duplicates Z: 9 9.608 1.631 0.640 0.818 0.875 0.750 CB 1.101 9 residues pruned to eliminate duplicates Z: 23 39.096 2.100 1.164 0.916 0.864 0.409 CB 1.500 23 residues pruned to eliminate duplicates Z: 31 42.246 2.102 0.832 0.917 0.967 0.867 CA 1.462 31 residues pruned to eliminate duplicates Z: 39 49.743 2.140 1.011 0.818 0.921 0.895 CB 1.545 40 residues pruned to eliminate duplicates Z: 8 12.934 2.083 0.546 0.609 1.000 0.857 CB 1.368 8 residues pruned to eliminate duplicates Z: 18 21.911 1.882 0.523 0.832 0.941 0.706 CB 1.479 17 residues pruned to eliminate duplicates Z: 34 22.808 1.811 0.650 0.752 0.970 0.545 CB 1.094 35 residues pruned to eliminate duplicates Z: 18 23.249 1.877 0.677 0.828 0.941 0.765 CA 1.433 18 residues pruned to eliminate duplicates Z: 17 21.371 1.669 0.963 0.873 1.000 0.688 CB 1.188 17 residues pruned to eliminate duplicates Z: 8 17.594 1.892 0.757 0.770 1.000 0.571 CB 1.574 8 residues pruned to eliminate duplicates Z: 7 12.311 1.708 0.720 0.887 1.000 1.000 CB 1.234 Z: 24 33.204 1.905 0.879 0.935 0.957 0.783 CA 1.409 24 residues pruned to eliminate duplicates Z: 7 20.704 1.943 0.902 0.887 1.000 1.000 CA 1.649 7 residues pruned to eliminate duplicates Z: 15 23.511 1.901 0.936 0.807 0.929 0.571 CB 1.406 15 residues pruned to eliminate duplicates Z: 34 26.373 1.969 0.902 0.590 0.879 0.606 CB 1.280 34 residues pruned to eliminate duplicates Z: 12 6.481 1.758 0.636 0.411 0.818 0.545 CB 0.911 12 residues pruned to eliminate duplicates Z: 9 10.891 1.694 0.617 0.804 0.875 0.500 CB 1.233 9 residues pruned to eliminate duplicates Z: 31 42.407 2.117 0.771 0.921 1.000 0.833 CA 1.453 31 residues pruned to eliminate duplicates Z: 9 12.912 1.749 0.797 0.758 0.875 0.625 CA 1.319 8 residues pruned to eliminate duplicates Z: 28 25.821 2.131 0.937 0.355 0.926 0.519 CB 1.520 28 residues pruned to eliminate duplicates Z: 18 21.122 1.813 0.612 0.834 0.941 0.765 CA 1.396 18 residues pruned to eliminate duplicates Z: 19 17.030 1.826 1.076 0.537 0.778 0.500 CB 1.313 19 residues pruned to eliminate duplicates Z: 23 38.292 2.098 1.129 0.929 0.864 0.591 CB 1.482 23 residues pruned to eliminate duplicates Z: 14 19.235 1.865 0.616 0.864 0.923 0.692 CB 1.405 14 residues pruned to eliminate duplicates Z: 15 24.731 1.977 0.776 0.865 0.929 0.643 CB 1.485 15 residues pruned to eliminate duplicates Z: 9 16.691 1.916 0.662 0.818 0.875 0.875 CB 1.606 9 residues pruned to eliminate duplicates Z: 7 12.843 1.713 0.664 0.795 1.000 1.000 N 1.421 Z: 16 22.152 1.916 0.440 0.917 1.000 0.933 CA 1.463 16 residues pruned to eliminate duplicates Z: 9 16.436 1.990 0.876 0.846 1.000 0.500 CB 1.156 9 residues pruned to eliminate duplicates Z: 8 12.979 1.841 0.606 0.834 1.000 0.571 CA 1.243 8 residues pruned to eliminate duplicates Z: 23 33.491 1.930 0.976 0.888 0.909 0.545 CA 1.484 23 residues pruned to eliminate duplicates Z: 25 21.712 1.985 0.710 0.572 0.917 0.708 CB 1.329 35 residues pruned to eliminate duplicates Z: 7 9.288 1.691 0.365 0.779 1.000 0.500 CA 1.285 7 residues pruned to eliminate duplicates Z: 11 5.215 1.607 0.584 0.327 0.800 0.400 CB 0.978 Z: 11 5.841 1.674 0.260 0.412 0.900 0.500 CB 1.068 Z: 9 4.008 1.578 0.994 0.192 0.875 0.250 CB 0.743 Z: 17 18.058 1.809 0.299 0.880 1.000 0.875 CA 1.392 17 residues pruned to eliminate duplicates Z: 24 40.615 2.014 1.167 0.898 0.957 0.870 CB 1.451 24 residues pruned to eliminate duplicates Z: 7 5.027 1.634 0.701 0.384 0.667 0.500 CB 1.253 Z: 13 18.508 1.726 0.618 0.896 1.000 0.917 CB 1.370 11 residues pruned to eliminate duplicates Z: 13 34.447 2.008 1.458 0.901 1.000 0.667 CA 1.439 13 residues pruned to eliminate duplicates Z: 7 2.358 1.667 -0.172 0.553 0.500 0.500 O 1.325 Z: 17 18.640 1.721 0.788 0.843 0.875 0.625 CA 1.289 17 residues pruned to eliminate duplicates Z: 15 22.719 1.867 0.740 0.910 0.929 0.714 CB 1.428 15 residues pruned to eliminate duplicates Z: 10 10.764 1.820 0.697 0.690 0.889 0.889 CB 1.099 Z: 30 28.591 1.826 1.002 0.893 0.966 0.517 CB 1.080 27 residues pruned to eliminate duplicates Z: 14 17.618 1.872 0.415 0.919 1.000 0.923 CB 1.300 14 residues pruned to eliminate duplicates Z: 25 24.822 2.099 1.202 0.484 0.917 0.333 CB 1.216 25 residues pruned to eliminate duplicates Z: 14 28.440 1.901 1.230 0.871 1.000 0.923 CA 1.357 14 residues pruned to eliminate duplicates Z: 12 25.641 2.075 0.662 0.875 1.000 0.727 CB 1.630 12 residues pruned to eliminate duplicates Z: 17 23.252 1.950 0.592 0.818 0.938 0.688 CB 1.516 17 residues pruned to eliminate duplicates Z: 15 14.035 1.870 0.754 0.542 0.929 0.571 CB 1.183 Z: 8 14.396 1.873 0.415 0.859 1.000 0.714 CB 1.511 8 residues pruned to eliminate duplicates Z: 8 4.507 1.625 0.318 0.560 1.000 0.714 CB 0.750 Z: 16 28.529 1.907 0.885 0.920 0.933 0.933 CA 1.546 16 residues pruned to eliminate duplicates Z: 6 12.403 1.786 0.795 0.798 1.000 0.600 CB 1.334 6 residues pruned to eliminate duplicates Z: 16 17.317 1.689 0.623 0.842 0.867 0.600 CB 1.403 16 residues pruned to eliminate duplicates Z: 27 35.223 1.833 1.044 0.897 0.923 0.808 CA 1.429 27 residues pruned to eliminate duplicates Z: 15 18.852 1.767 0.761 0.945 1.000 0.429 CB 1.121 15 residues pruned to eliminate duplicates Z: 13 19.348 1.848 0.408 0.931 1.000 1.000 CB 1.500 13 residues pruned to eliminate duplicates Z: 22 17.584 1.856 0.764 0.579 0.857 0.571 CB 1.268 19 residues pruned to eliminate duplicates Z: 17 18.893 1.673 0.748 0.901 1.000 0.875 CA 1.153 17 residues pruned to eliminate duplicates Z: 30 17.932 1.852 0.648 0.417 0.897 0.552 CB 1.326 31 residues pruned to eliminate duplicates Z: 6 2.821 1.701 -0.197 0.561 0.800 0.600 O 1.088 Z: 25 16.775 1.867 0.801 0.511 0.833 0.750 CB 1.210 33 residues pruned to eliminate duplicates Z: 12 11.149 1.624 0.648 0.880 1.000 0.455 CB 0.910 12 residues pruned to eliminate duplicates Z: 45 47.892 2.092 0.884 0.809 0.955 0.818 CA 1.466 47 residues pruned to eliminate duplicates Z: 10 24.633 1.918 1.268 0.862 1.000 0.667 CB 1.386 11 residues pruned to eliminate duplicates Z: 31 33.415 1.930 0.993 0.646 1.000 0.667 CB 1.384 29 residues pruned to eliminate duplicates Z: 7 3.878 1.141 0.598 0.706 1.000 0.833 C 0.720 Z: 23 36.292 1.989 1.137 0.900 0.955 0.455 CB 1.362 23 residues pruned to eliminate duplicates Z: 11 23.938 1.946 0.943 0.886 1.000 0.600 CB 1.445 Z: 8 13.198 1.899 0.465 0.853 1.000 0.857 CA 1.325 8 residues pruned to eliminate duplicates Z: 12 20.414 1.749 0.752 0.882 1.000 0.909 CB 1.453 12 residues pruned to eliminate duplicates Z: 13 22.701 1.846 0.892 0.876 1.000 0.833 CB 1.363 13 residues pruned to eliminate duplicates Z: 12 8.168 1.750 0.641 0.436 0.909 0.455 CB 1.007 Z: 18 23.743 1.809 0.745 0.869 1.000 0.647 CB 1.332 18 residues pruned to eliminate duplicates Z: 6 3.429 1.588 0.353 0.392 0.600 0.600 CB 1.334 Z: 15 29.357 2.000 0.905 0.913 0.929 0.643 CB 1.570 15 residues pruned to eliminate duplicates Z: 30 50.258 1.989 1.246 0.930 0.966 0.724 CB 1.513 29 residues pruned to eliminate duplicates Z: 30 56.134 2.147 1.114 0.944 1.000 0.828 CB 1.591 30 residues pruned to eliminate duplicates Z: 15 20.665 1.769 0.807 0.913 1.000 0.714 CB 1.223 15 residues pruned to eliminate duplicates Z: 13 18.557 1.856 0.577 0.896 1.000 1.000 CB 1.311 13 residues pruned to eliminate duplicates Z: 9 8.296 1.831 0.378 0.442 0.875 0.750 CA 1.410 9 residues pruned to eliminate duplicates Z: 22 7.921 1.774 0.330 0.349 0.714 0.429 CB 1.208 22 residues pruned to eliminate duplicates Z: 9 8.015 1.746 0.479 0.506 0.875 0.625 CB 1.247 Z: 13 20.339 1.945 1.080 0.807 0.833 0.500 CB 1.332 13 residues pruned to eliminate duplicates Z: 31 47.684 2.108 1.021 0.942 0.967 0.733 CB 1.466 31 residues pruned to eliminate duplicates Z: 30 30.307 1.785 0.770 0.928 0.966 0.966 CB 1.292 30 residues pruned to eliminate duplicates Z: 16 26.347 1.898 0.712 0.888 1.000 0.933 CA 1.508 16 residues pruned to eliminate duplicates Z: 32 41.732 2.026 0.970 0.892 0.968 0.742 CA 1.394 32 residues pruned to eliminate duplicates Z: 30 57.043 2.098 1.300 0.937 1.000 0.828 CA 1.528 30 residues pruned to eliminate duplicates Z: 48 21.990 1.847 0.547 0.526 0.894 0.511 CB 1.225 50 residues pruned to eliminate duplicates Z: 23 22.532 1.828 0.384 0.900 1.000 0.727 CB 1.355 23 residues pruned to eliminate duplicates Z: 7 16.800 1.882 0.801 0.877 1.000 1.000 CB 1.470 7 residues pruned to eliminate duplicates Z: 15 20.459 1.916 0.643 0.880 0.929 0.929 CB 1.356 15 residues pruned to eliminate duplicates Z: 10 19.868 2.068 0.469 0.896 1.000 1.000 CA 1.562 10 residues pruned to eliminate duplicates Z: 15 16.251 1.656 0.625 0.909 0.929 0.714 CB 1.233 Z: 29 21.849 1.999 0.698 0.498 0.893 0.464 CB 1.366 29 residues pruned to eliminate duplicates Z: 30 41.703 2.011 1.058 0.913 0.931 0.621 CB 1.423 30 residues pruned to eliminate duplicates Z: 8 6.157 1.780 0.521 0.804 1.000 0.714 CB 0.659 8 residues pruned to eliminate duplicates Z: 10 14.574 1.850 0.905 0.866 0.889 0.556 CA 1.135 10 residues pruned to eliminate duplicates Z: 30 16.462 1.837 0.406 0.490 0.931 0.414 CB 1.284 30 residues pruned to eliminate duplicates Z: 15 21.316 1.927 0.716 0.848 0.929 0.643 CB 1.376 15 residues pruned to eliminate duplicates Z: 27 40.688 1.866 1.019 0.936 0.962 0.846 CA 1.534 27 residues pruned to eliminate duplicates Z: 19 21.665 2.006 0.801 0.527 0.889 0.500 CB 1.549 19 residues pruned to eliminate duplicates Z: 29 40.773 1.885 0.975 0.922 0.964 0.786 CA 1.509 29 residues pruned to eliminate duplicates Z: 30 28.089 1.925 0.786 0.660 0.931 0.759 CB 1.404 30 residues pruned to eliminate duplicates Z: 12 19.888 1.930 0.826 0.857 0.909 0.636 CA 1.380 12 residues pruned to eliminate duplicates Z: 14 25.156 1.947 0.760 0.928 1.000 0.692 CB 1.426 14 residues pruned to eliminate duplicates Z: 19 21.583 1.981 0.821 0.488 0.944 0.556 CB 1.511 19 residues pruned to eliminate duplicates Z: 14 18.681 1.827 0.639 0.898 1.000 1.000 CB 1.238 14 residues pruned to eliminate duplicates Z: 10 22.655 1.852 1.144 0.903 1.000 0.889 CA 1.355 10 residues pruned to eliminate duplicates Z: 16 25.766 1.949 0.880 0.845 0.867 0.733 CB 1.557 16 residues pruned to eliminate duplicates Z: 15 9.550 1.632 0.491 0.560 0.929 0.643 CB 1.065 13 residues pruned to eliminate duplicates Z: 15 21.001 1.868 0.872 0.923 0.857 0.357 CB 1.316 15 residues pruned to eliminate duplicates Z: 15 17.604 1.711 0.616 0.879 1.000 0.643 CA 1.234 15 residues pruned to eliminate duplicates Z: 20 33.799 2.069 0.913 0.927 0.895 0.737 CA 1.535 20 residues pruned to eliminate duplicates Z: 45 27.033 1.907 0.774 0.534 0.909 0.727 CB 1.282 45 residues pruned to eliminate duplicates Z: 14 12.805 1.747 0.323 0.840 1.000 0.615 CB 1.146 Z: 23 36.551 1.947 1.013 0.953 0.909 0.591 CB 1.505 25 residues pruned to eliminate duplicates Z: 13 18.041 1.791 0.823 0.809 0.833 0.667 CA 1.462 13 residues pruned to eliminate duplicates Z: 31 48.767 2.097 0.904 0.951 1.000 0.867 CB 1.536 31 residues pruned to eliminate duplicates Z: 21 28.036 2.004 1.264 0.874 0.900 0.500 CB 1.117 21 residues pruned to eliminate duplicates Z: 11 8.864 1.673 0.553 0.563 0.900 0.700 CB 1.127 11 residues pruned to eliminate duplicates Z: 7 7.098 1.697 0.273 0.429 1.000 0.667 N 1.444 7 residues pruned to eliminate duplicates Z: 24 15.539 1.794 0.680 0.571 0.826 0.565 CB 1.215 24 residues pruned to eliminate duplicates Z: 13 25.403 1.951 1.244 0.821 1.000 0.583 CB 1.268 13 residues pruned to eliminate duplicates Z: 27 34.644 2.015 1.121 0.928 0.846 0.462 CB 1.315 27 residues pruned to eliminate duplicates Z: 17 20.277 1.813 0.462 0.878 1.000 0.875 CA 1.389 17 residues pruned to eliminate duplicates Z: 75 45.214 1.886 0.888 0.640 0.946 0.541 CB 1.369 76 residues pruned to eliminate duplicates Z: 6 6.459 1.575 0.490 0.814 1.000 0.800 N 0.937 6 residues pruned to eliminate duplicates Z: 10 18.799 1.897 0.723 0.915 0.889 0.778 CB 1.524 11 residues pruned to eliminate duplicates Z: 8 18.895 1.918 1.059 0.845 0.857 0.571 CB 1.568 8 residues pruned to eliminate duplicates Z: 15 20.724 1.875 0.555 0.865 1.000 0.714 CB 1.391 15 residues pruned to eliminate duplicates Z: 22 24.866 1.886 0.623 0.917 0.952 0.810 CB 1.314 22 residues pruned to eliminate duplicates Z: 15 27.923 2.019 0.887 0.923 0.929 0.714 CB 1.483 15 residues pruned to eliminate duplicates Z: 12 15.001 1.655 1.332 0.804 0.818 0.727 CB 1.098 12 residues pruned to eliminate duplicates Z: 6 10.430 1.865 0.743 0.476 1.000 0.600 CB 1.471 6 residues pruned to eliminate duplicates Z: 26 39.568 1.926 1.047 0.942 0.960 0.800 CA 1.450 26 residues pruned to eliminate duplicates Z: 11 11.727 1.980 0.526 0.424 0.900 0.500 CB 1.475 Z: 6 15.271 2.010 0.813 0.781 1.000 1.000 CB 1.464 6 residues pruned to eliminate duplicates Z: 13 16.175 1.770 0.533 0.899 1.000 0.750 CB 1.230 14 residues pruned to eliminate duplicates Z: 31 36.156 1.772 0.902 0.893 1.000 0.600 CA 1.406 30 residues pruned to eliminate duplicates Z: 15 18.971 1.752 0.713 0.838 1.000 0.786 CB 1.263 15 residues pruned to eliminate duplicates Z: 15 21.162 1.777 0.722 0.902 1.000 0.857 CB 1.319 15 residues pruned to eliminate duplicates Z: 8 5.022 1.627 0.314 0.471 0.714 0.571 CB 1.280 Z: 28 39.515 1.877 1.087 0.917 0.963 0.667 CB 1.423 28 residues pruned to eliminate duplicates Z: 39 18.658 1.864 0.580 0.375 0.895 0.737 CB 1.313 38 residues pruned to eliminate duplicates Z: 8 6.907 1.715 0.340 0.625 1.000 0.571 CA 1.009 8 residues pruned to eliminate duplicates Z: 12 16.485 1.866 0.615 0.786 0.909 0.636 CB 1.410 12 residues pruned to eliminate duplicates Z: 21 38.767 2.058 1.243 0.940 1.000 0.750 CB 1.304 21 residues pruned to eliminate duplicates Z: 15 22.497 1.910 0.829 0.894 0.929 0.571 CB 1.330 15 residues pruned to eliminate duplicates Z: 13 8.068 1.840 0.509 0.429 0.833 0.417 CB 1.084 13 residues pruned to eliminate duplicates Z: 13 22.138 1.808 0.729 0.899 0.917 0.583 CA 1.594 13 residues pruned to eliminate duplicates Z: 29 27.787 1.915 0.700 0.683 0.893 0.786 CA 1.527 19 residues pruned to eliminate duplicates Z: 13 19.149 1.819 0.656 0.912 1.000 0.833 CB 1.300 13 residues pruned to eliminate duplicates Z: 14 16.048 1.782 0.414 0.911 0.923 0.846 CB 1.356 14 residues pruned to eliminate duplicates Z: 6 5.946 1.738 0.117 0.447 1.000 0.400 N 1.447 Z: 6 6.043 1.673 0.670 0.693 0.800 0.600 N 1.013 6 residues pruned to eliminate duplicates Z: 29 47.386 2.017 1.178 0.923 1.000 0.679 CB 1.432 29 residues pruned to eliminate duplicates Z: 12 23.122 1.776 1.037 0.923 1.000 0.455 CB 1.354 12 residues pruned to eliminate duplicates Z: 17 27.764 1.966 0.768 0.862 0.938 0.812 CA 1.564 17 residues pruned to eliminate duplicates Z: 25 32.567 1.906 0.810 0.889 0.917 0.583 CB 1.513 25 residues pruned to eliminate duplicates Z: 23 17.900 1.696 0.514 0.765 0.864 0.727 CB 1.361 24 residues pruned to eliminate duplicates Z: 15 23.646 1.890 0.695 0.855 0.929 0.786 CB 1.568 15 residues pruned to eliminate duplicates Z: 14 20.768 1.850 0.871 0.918 0.923 0.462 CB 1.271 14 residues pruned to eliminate duplicates Z: 22 33.691 2.031 1.188 0.920 0.905 0.810 CB 1.288 22 residues pruned to eliminate duplicates Z: 31 27.820 1.844 0.965 0.595 1.000 0.633 CB 1.280 31 residues pruned to eliminate duplicates Z: 12 9.767 1.757 0.286 0.878 1.000 0.818 CB 0.946 Z: 7 11.631 2.061 0.303 0.900 1.000 0.667 CB 1.263 Z: 15 19.845 1.814 0.773 0.883 0.929 0.929 CA 1.284 15 residues pruned to eliminate duplicates Z: 8 16.064 1.916 0.683 0.835 1.000 0.714 CB 1.410 8 residues pruned to eliminate duplicates Z: 29 28.058 1.786 0.795 0.903 0.964 0.893 CA 1.223 29 residues pruned to eliminate duplicates Z: 7 8.560 1.635 0.705 0.774 0.833 0.667 CB 1.180 7 residues pruned to eliminate duplicates Z: 12 17.956 1.866 0.632 0.850 1.000 0.727 CB 1.317 12 residues pruned to eliminate duplicates Z: 93 48.696 1.985 0.855 0.550 0.902 0.641 CB 1.455 93 residues pruned to eliminate duplicates Z: 11 23.990 2.024 0.760 0.929 1.000 0.900 CB 1.491 11 residues pruned to eliminate duplicates Z: 15 23.022 1.873 0.625 0.902 1.000 0.857 CB 1.442 15 residues pruned to eliminate duplicates Z: 11 7.832 1.791 0.500 0.450 0.700 0.700 CB 1.386 11 residues pruned to eliminate duplicates Z: 7 14.221 1.916 0.689 0.896 1.000 1.000 CB 1.285 7 residues pruned to eliminate duplicates Z: 47 27.431 1.828 0.783 0.509 0.957 0.543 CB 1.287 48 residues pruned to eliminate duplicates Z: 12 16.512 1.738 0.713 0.904 1.000 0.818 CB 1.192 12 residues pruned to eliminate duplicates Z: 15 21.191 1.849 0.805 0.896 1.000 0.786 CB 1.216 15 residues pruned to eliminate duplicates Z: 6 6.871 1.580 0.894 0.772 1.000 0.600 CB 0.808 6 residues pruned to eliminate duplicates Z: 16 16.367 1.684 0.622 0.932 0.933 0.867 CB 1.158 14 residues pruned to eliminate duplicates Z: 18 23.631 1.782 0.682 0.887 1.000 0.765 CA 1.379 19 residues pruned to eliminate duplicates Z: 13 14.918 1.727 0.718 0.879 1.000 0.833 CB 1.052 13 residues pruned to eliminate duplicates Z: 11 9.935 1.587 0.324 0.842 0.900 0.700 CB 1.238 6 residues pruned to eliminate duplicates Z: 7 4.836 1.544 0.657 0.520 1.000 0.667 CB 0.756 Z: 19 20.139 1.747 0.481 0.871 1.000 0.833 CA 1.338 19 residues pruned to eliminate duplicates Z: 32 19.070 2.002 0.604 0.375 0.806 0.484 CB 1.513 32 residues pruned to eliminate duplicates Z: 16 28.081 1.886 0.834 0.916 1.000 0.933 CB 1.481 16 residues pruned to eliminate duplicates Z: 7 3.502 1.524 0.866 0.461 0.667 0.500 N 0.784 Z: 18 20.114 1.797 0.712 0.818 0.941 0.765 CB 1.278 18 residues pruned to eliminate duplicates Z: 22 22.327 1.766 0.772 0.913 0.952 0.714 CB 1.157 Z: 7 4.950 1.610 0.367 0.487 0.833 0.667 CB 1.116 7 residues pruned to eliminate duplicates Z: 25 40.811 2.082 1.004 0.891 1.000 0.833 CB 1.435 25 residues pruned to eliminate duplicates Z: 12 28.286 2.138 1.379 0.831 0.909 0.455 CB 1.385 12 residues pruned to eliminate duplicates Z: 38 27.748 1.850 0.801 0.739 0.865 0.568 CB 1.277 38 residues pruned to eliminate duplicates Z: 22 27.823 1.858 0.842 0.889 0.905 0.810 CA 1.411 22 residues pruned to eliminate duplicates Z: 31 37.481 1.792 0.895 0.913 0.967 0.733 CA 1.475 31 residues pruned to eliminate duplicates Z: 16 14.149 1.653 0.732 0.853 0.867 0.733 CB 1.088 16 residues pruned to eliminate duplicates Z: 14 9.973 1.511 0.508 0.788 1.000 0.462 CB 0.943 Z: 11 20.284 1.815 0.679 0.855 1.000 0.800 CA 1.554 11 residues pruned to eliminate duplicates Z: 9 13.567 2.072 0.628 0.470 1.000 0.750 CB 1.465 10 residues pruned to eliminate duplicates Z: 7 16.906 1.846 1.012 0.871 1.000 0.833 N 1.355 7 residues pruned to eliminate duplicates Z: 12 14.005 1.719 0.759 0.510 1.000 0.818 CA 1.382 12 residues pruned to eliminate duplicates Z: 11 3.993 1.550 -0.002 0.372 0.800 0.400 CB 1.170 Z: 8 11.987 1.524 0.646 0.824 1.000 0.429 N 1.364 8 residues pruned to eliminate duplicates Z: 10 20.435 1.890 1.031 0.887 1.000 0.889 CB 1.280 10 residues pruned to eliminate duplicates Z: 7 2.524 1.603 0.494 0.204 0.833 0.500 CB 0.733 Z: 9 11.667 1.710 0.482 0.744 1.000 0.875 CA 1.308 9 residues pruned to eliminate duplicates Z: 15 19.277 1.743 0.975 0.857 0.857 0.714 CA 1.287 15 residues pruned to eliminate duplicates Z: 17 6.548 1.656 0.879 0.249 0.750 0.438 CB 0.936 Z: 15 13.063 1.663 0.383 0.842 1.000 0.714 CB 1.130 15 residues pruned to eliminate duplicates Z: 14 16.779 1.755 0.747 0.872 1.000 0.769 CB 1.106 14 residues pruned to eliminate duplicates Z: 9 16.779 1.928 0.449 0.850 1.000 1.000 CA 1.573 9 residues pruned to eliminate duplicates Z: 6 16.519 2.089 0.839 0.863 1.000 1.000 CB 1.411 6 residues pruned to eliminate duplicates Z: 23 27.645 1.856 0.778 0.893 0.955 0.682 CA 1.343 23 residues pruned to eliminate duplicates Z: 30 41.777 1.963 1.082 0.935 0.966 0.690 CB 1.370 30 residues pruned to eliminate duplicates Z: 36 32.010 1.941 0.885 0.589 0.971 0.543 CB 1.398 36 residues pruned to eliminate duplicates Z: 8 6.971 1.752 0.919 0.447 0.714 0.429 CB 1.159 8 residues pruned to eliminate duplicates Z: 17 25.510 1.904 0.812 0.798 0.938 0.562 CA 1.520 17 residues pruned to eliminate duplicates Z: 14 20.997 1.804 0.705 0.909 1.000 0.923 CB 1.343 14 residues pruned to eliminate duplicates Z: 30 44.086 2.016 0.938 0.924 1.000 0.862 CB 1.471 30 residues pruned to eliminate duplicates Z: 18 26.865 2.014 0.772 0.711 0.941 0.588 CB 1.601 18 residues pruned to eliminate duplicates Z: 18 20.356 1.742 0.752 0.876 1.000 0.471 CB 1.175 18 residues pruned to eliminate duplicates Z: 7 4.223 1.715 0.538 0.247 0.667 0.500 CB 1.311 8 residues pruned to eliminate duplicates Z: 29 18.780 1.889 0.484 0.522 0.857 0.607 CB 1.446 29 residues pruned to eliminate duplicates Z: 6 4.353 1.552 0.376 0.439 1.000 0.800 CB 0.971 Z: 12 24.152 2.090 0.802 0.900 1.000 0.727 CB 1.381 12 residues pruned to eliminate duplicates Z: 28 52.368 2.063 1.241 0.946 1.000 0.926 CB 1.508 28 residues pruned to eliminate duplicates Z: 8 19.669 1.865 1.313 0.879 1.000 0.714 CA 1.250 8 residues pruned to eliminate duplicates Z: 10 5.441 1.639 0.948 0.247 0.556 0.222 CB 1.369 Z: 14 18.273 1.684 0.809 0.834 1.000 0.692 CB 1.247 14 residues pruned to eliminate duplicates Z: 8 16.273 2.050 0.528 0.888 1.000 0.857 CB 1.415 7 residues pruned to eliminate duplicates Z: 17 24.036 1.871 0.577 0.888 1.000 0.812 CB 1.468 18 residues pruned to eliminate duplicates Z: 16 24.672 1.896 0.712 0.842 1.000 0.867 CA 1.463 16 residues pruned to eliminate duplicates Z: 6 4.236 1.541 0.342 0.617 1.000 0.800 CB 0.820 Z: 23 16.698 1.675 0.315 0.919 1.000 0.909 CB 1.139 23 residues pruned to eliminate duplicates Z: 12 11.144 1.760 0.512 0.602 0.818 0.545 CA 1.400 12 residues pruned to eliminate duplicates Z: 12 21.491 1.938 0.543 0.849 1.000 0.909 CB 1.607 12 residues pruned to eliminate duplicates Z: 17 24.372 1.918 0.629 0.893 0.938 0.688 CA 1.493 17 residues pruned to eliminate duplicates Z: 16 24.502 1.891 0.790 0.892 0.933 0.667 CB 1.439 16 residues pruned to eliminate duplicates Z: 7 17.687 1.904 1.499 0.830 0.833 0.667 CB 1.370 Z: 15 27.681 1.963 0.826 0.913 0.929 0.929 CA 1.573 15 residues pruned to eliminate duplicates Z: 7 2.887 1.670 0.338 0.248 0.667 0.333 CA 1.058 Z: 14 20.293 1.777 0.812 0.911 0.923 0.923 CB 1.343 14 residues pruned to eliminate duplicates Z: 16 15.142 1.672 0.664 0.873 0.933 0.867 CB 1.097 16 residues pruned to eliminate duplicates Z: 29 40.049 1.865 0.994 0.950 1.000 0.929 CA 1.404 29 residues pruned to eliminate duplicates Z: 11 5.876 1.548 0.602 0.370 0.800 0.600 CB 1.076 11 residues pruned to eliminate duplicates Z: 25 18.710 1.765 0.676 0.819 0.792 0.458 CB 1.236 25 residues pruned to eliminate duplicates Z: 18 20.881 1.765 0.620 0.870 1.000 0.882 CA 1.293 18 residues pruned to eliminate duplicates Z: 31 48.856 2.073 1.215 0.884 0.933 0.367 CB 1.504 31 residues pruned to eliminate duplicates Z: 29 32.923 1.947 1.022 0.926 0.929 0.679 CB 1.193 29 residues pruned to eliminate duplicates Z: 16 26.063 1.918 0.648 0.921 1.000 0.933 CB 1.498 16 residues pruned to eliminate duplicates Z: 12 7.422 1.682 0.655 0.877 1.000 0.727 CB 0.584 11 residues pruned to eliminate duplicates Z: 10 13.132 1.984 0.654 0.786 0.889 0.667 CB 1.166 10 residues pruned to eliminate duplicates Z: 8 3.554 1.569 0.822 0.437 0.714 0.714 CB 0.702 Z: 12 10.472 1.687 0.472 0.819 0.818 0.818 CB 1.178 12 residues pruned to eliminate duplicates Z: 22 30.065 1.947 0.882 0.903 0.952 0.905 CB 1.340 22 residues pruned to eliminate duplicates Z: 25 28.457 1.783 0.839 0.910 1.000 0.917 CA 1.256 25 residues pruned to eliminate duplicates Z: 57 38.795 2.092 1.051 0.466 0.875 0.589 CB 1.429 60 residues pruned to eliminate duplicates Z: 8 12.826 1.840 0.667 0.707 1.000 0.857 CA 1.309 8 residues pruned to eliminate duplicates Z: 8 8.720 1.769 0.649 0.826 0.714 0.714 CB 1.194 8 residues pruned to eliminate duplicates Z: 12 20.581 1.885 0.765 0.923 0.909 0.909 CB 1.442 12 residues pruned to eliminate duplicates Z: 10 26.360 2.198 0.754 0.883 1.000 0.889 CA 1.648 10 residues pruned to eliminate duplicates Z: 12 4.656 1.515 0.456 0.347 0.727 0.455 CB 1.034 Z: 14 23.426 1.909 0.882 0.898 0.923 0.769 CB 1.402 14 residues pruned to eliminate duplicates Z: 11 13.373 1.718 0.919 0.786 1.000 0.600 CB 0.997 10 residues pruned to eliminate duplicates Z: 13 9.144 1.665 0.365 0.861 0.917 0.833 CB 0.930 13 residues pruned to eliminate duplicates Z: 28 24.924 1.902 0.830 0.628 0.926 0.519 CB 1.319 28 residues pruned to eliminate duplicates Z: 10 16.861 1.841 1.022 0.872 0.889 0.556 CB 1.238 10 residues pruned to eliminate duplicates Z: 18 20.623 1.761 0.525 0.931 1.000 0.647 CA 1.302 18 residues pruned to eliminate duplicates Z: 17 20.232 1.884 0.473 0.857 0.938 0.688 CA 1.433 17 residues pruned to eliminate duplicates Z: 14 12.023 1.804 0.675 0.534 0.846 0.846 CB 1.260 8 residues pruned to eliminate duplicates Z: 21 22.355 1.781 0.710 0.713 0.950 0.600 CA 1.425 17 residues pruned to eliminate duplicates Z: 11 26.367 1.956 0.903 0.927 1.000 0.900 CB 1.569 11 residues pruned to eliminate duplicates Z: 22 25.230 1.892 0.505 0.926 1.000 0.857 CA 1.355 24 residues pruned to eliminate duplicates Z: 8 3.787 1.711 0.257 0.601 1.000 0.857 CB 0.604 Z: 28 23.086 1.838 0.711 0.672 0.852 0.704 CB 1.415 18 residues pruned to eliminate duplicates Z: 39 26.664 1.875 0.822 0.549 0.921 0.658 CB 1.311 39 residues pruned to eliminate duplicates Z: 22 23.627 1.790 0.612 0.910 1.000 0.762 CB 1.267 22 residues pruned to eliminate duplicates Z: 18 23.664 1.714 0.768 0.903 1.000 0.706 CA 1.349 16 residues pruned to eliminate duplicates Z: 28 15.404 1.986 0.547 0.312 0.926 0.296 CB 1.284 28 residues pruned to eliminate duplicates Z: 8 11.512 1.812 0.236 0.819 1.000 0.714 CB 1.474 8 residues pruned to eliminate duplicates Z: 22 11.033 1.691 0.774 0.415 0.810 0.429 CB 1.083 22 residues pruned to eliminate duplicates Z: 12 12.431 1.857 0.268 0.884 1.000 0.818 CB 1.150 12 residues pruned to eliminate duplicates Z: 23 17.757 1.654 0.405 0.886 1.000 0.864 CA 1.175 23 residues pruned to eliminate duplicates Z: 18 23.520 1.808 0.680 0.874 1.000 0.647 CA 1.367 17 residues pruned to eliminate duplicates Z: 6 2.539 1.721 0.268 0.489 0.800 0.800 CB 0.658 Z: 8 10.218 1.525 0.509 0.794 1.000 0.857 CA 1.297 8 residues pruned to eliminate duplicates Z: 18 18.341 1.832 0.687 0.863 0.824 0.529 CB 1.283 18 residues pruned to eliminate duplicates Z: 21 27.654 1.818 1.058 0.782 0.950 0.850 CB 1.357 21 residues pruned to eliminate duplicates Z: 15 15.810 1.697 0.599 0.835 0.929 0.643 CB 1.256 15 residues pruned to eliminate duplicates Z: 30 43.366 1.984 0.957 0.926 1.000 0.828 CB 1.454 30 residues pruned to eliminate duplicates Z: 26 40.582 2.028 0.852 0.937 1.000 0.880 CA 1.504 26 residues pruned to eliminate duplicates Z: 28 19.350 1.743 0.636 0.744 0.963 0.556 CB 1.089 17 residues pruned to eliminate duplicates Z: 24 31.201 1.900 0.923 0.871 0.913 0.652 CA 1.423 24 residues pruned to eliminate duplicates Z: 10 18.414 1.910 0.850 0.882 1.000 1.000 CA 1.257 10 residues pruned to eliminate duplicates Z: 30 33.425 1.920 1.018 0.863 0.931 0.724 CB 1.263 30 residues pruned to eliminate duplicates Z: 6 7.490 1.777 0.705 0.424 1.000 0.600 CB 1.197 6 residues pruned to eliminate duplicates Z: 8 16.288 1.881 0.609 0.860 1.000 0.857 CA 1.496 8 residues pruned to eliminate duplicates Z: 10 12.026 1.695 0.290 0.885 1.000 1.000 CB 1.323 10 residues pruned to eliminate duplicates Z: 12 12.573 1.730 0.328 0.866 1.000 0.909 CA 1.208 12 residues pruned to eliminate duplicates Z: 19 19.881 1.726 0.615 0.887 1.000 0.778 CA 1.211 19 residues pruned to eliminate duplicates Z: 47 25.790 2.022 0.712 0.472 0.848 0.587 CB 1.334 72 residues pruned to eliminate duplicates Z: 6 12.159 1.927 0.382 0.836 1.000 1.000 CB 1.529 6 residues pruned to eliminate duplicates Z: 11 12.262 1.746 0.438 0.792 0.900 0.700 CB 1.328 11 residues pruned to eliminate duplicates Z: 85 44.095 1.951 0.734 0.660 0.857 0.631 CB 1.431 85 residues pruned to eliminate duplicates Z: 13 20.226 1.860 0.692 0.864 0.917 0.667 CA 1.483 13 residues pruned to eliminate duplicates Z: 15 29.004 1.895 0.938 0.852 1.000 0.714 CA 1.561 15 residues pruned to eliminate duplicates Z: 6 12.305 1.923 0.779 0.783 1.000 0.800 CA 1.253 Z: 9 6.176 1.709 0.521 0.456 0.750 0.375 CB 1.172 Z: 14 19.222 1.776 0.730 0.888 0.923 0.923 CB 1.354 14 residues pruned to eliminate duplicates Z: 48 42.263 2.077 1.102 0.604 0.957 0.617 CB 1.336 48 residues pruned to eliminate duplicates Z: 6 5.960 1.521 0.235 0.783 1.000 0.800 CB 1.106 6 residues pruned to eliminate duplicates Z: 31 54.415 2.112 1.117 0.950 1.000 0.733 CB 1.533 31 residues pruned to eliminate duplicates Z: 15 17.483 1.823 0.545 0.881 0.929 0.643 CB 1.294 15 residues pruned to eliminate duplicates Z: 6 4.924 1.340 0.447 0.706 0.800 0.800 CB 1.177 6 residues pruned to eliminate duplicates Z: 15 10.893 1.635 0.360 0.555 1.000 0.643 CB 1.241 14 residues pruned to eliminate duplicates Z: 15 20.879 1.837 0.545 0.914 1.000 0.786 CB 1.391 15 residues pruned to eliminate duplicates Z: 6 5.295 1.926 -0.273 0.835 0.800 0.800 CB 1.584 6 residues pruned to eliminate duplicates Z: 7 6.401 1.551 0.323 0.680 0.833 0.667 CB 1.295 Z: 8 10.829 1.829 0.904 0.540 1.000 0.571 CB 1.130 Z: 11 16.458 1.807 0.794 0.910 1.000 0.900 CB 1.138 10 residues pruned to eliminate duplicates Z: 7 5.470 1.565 0.221 0.792 1.000 0.667 CB 0.905 Z: 6 5.373 1.332 0.583 0.764 1.000 0.800 N 0.901 6 residues pruned to eliminate duplicates Z: 12 14.464 1.619 0.820 0.868 0.909 0.818 CB 1.190 7 residues pruned to eliminate duplicates Z: 13 16.744 1.664 0.852 0.900 0.917 0.583 CB 1.223 13 residues pruned to eliminate duplicates Z: 9 5.666 1.672 0.512 0.558 0.750 0.750 CB 0.999 9 residues pruned to eliminate duplicates Z: 6 2.843 1.750 0.067 0.445 0.800 0.800 CB 0.900 Z: 26 16.588 1.976 0.489 0.519 0.840 0.360 CB 1.318 26 residues pruned to eliminate duplicates Z: 14 18.814 1.851 0.741 0.855 0.846 0.385 CB 1.413 14 residues pruned to eliminate duplicates Z: 30 15.108 1.745 0.650 0.378 0.931 0.552 CB 1.192 46 residues pruned to eliminate duplicates Z: 13 10.663 1.846 0.729 0.520 0.833 0.583 CB 1.135 13 residues pruned to eliminate duplicates Z: 15 29.774 2.001 0.846 0.907 1.000 0.786 CA 1.531 15 residues pruned to eliminate duplicates Z: 11 14.203 1.838 0.551 0.900 0.900 0.700 CB 1.250 10 residues pruned to eliminate duplicates Z: 31 49.957 2.115 1.012 0.959 1.000 0.900 CA 1.470 31 residues pruned to eliminate duplicates Z: 21 20.182 1.757 0.682 0.709 0.900 0.500 CB 1.404 20 residues pruned to eliminate duplicates Z: 8 12.088 1.672 0.502 0.804 1.000 1.000 O 1.394 8 residues pruned to eliminate duplicates Z: 6 4.009 1.664 0.189 0.459 0.800 0.800 N 1.181 Z: 8 16.547 2.047 0.743 0.850 1.000 0.714 CB 1.299 9 residues pruned to eliminate duplicates Z: 6 2.814 1.394 0.372 0.774 1.000 0.600 N 0.516 Z: 8 14.558 1.911 0.555 0.867 1.000 0.571 CB 1.355 8 residues pruned to eliminate duplicates Z: 8 3.298 1.572 0.243 0.357 0.714 0.714 CB 1.042 8 residues pruned to eliminate duplicates Z: 9 10.792 1.743 0.967 0.610 1.000 0.750 CA 1.003 9 residues pruned to eliminate duplicates Z: 32 20.484 1.932 0.708 0.491 0.871 0.645 CB 1.291 32 residues pruned to eliminate duplicates Z: 6 15.835 1.866 0.983 0.846 1.000 1.000 N 1.423 6 residues pruned to eliminate duplicates 6 1.680 1.355 0.579 0.463 0.600 0.400 CB 0.608 ? Z: 23 14.660 1.782 0.598 0.459 0.864 0.591 CB 1.326 23 residues pruned to eliminate duplicates Z: 11 19.521 1.942 0.781 0.820 1.000 0.600 CB 1.352 11 residues pruned to eliminate duplicates Z: 15 18.173 1.592 0.604 0.898 1.000 0.786 N 1.361 15 residues pruned to eliminate duplicates Z: 31 19.101 1.857 0.698 0.587 0.833 0.500 CB 1.221 31 residues pruned to eliminate duplicates Z: 13 16.326 1.676 0.841 0.862 0.917 0.583 CB 1.223 13 residues pruned to eliminate duplicates Z: 22 15.997 1.724 0.731 0.627 0.905 0.571 CB 1.147 15 residues pruned to eliminate duplicates Z: 12 6.567 1.617 0.225 0.411 0.818 0.727 N 1.341 7 residues pruned to eliminate duplicates Z: 11 19.083 1.752 0.814 0.903 1.000 0.600 CB 1.354 11 residues pruned to eliminate duplicates Z: 16 23.849 1.825 0.893 0.916 0.933 0.733 CB 1.349 16 residues pruned to eliminate duplicates Z: 44 29.432 1.845 0.877 0.645 0.907 0.326 CB 1.249 44 residues pruned to eliminate duplicates Z: 7 7.479 1.746 0.219 0.891 1.000 0.833 CB 1.031 7 residues pruned to eliminate duplicates Z: 8 12.094 1.754 0.908 0.868 0.857 0.714 CB 1.165 8 residues pruned to eliminate duplicates Z: 12 12.338 1.644 0.521 0.827 1.000 0.727 CB 1.122 11 residues pruned to eliminate duplicates Z: 26 26.545 1.875 0.551 0.737 1.000 0.840 CA 1.476 28 residues pruned to eliminate duplicates Z: 11 22.168 1.939 0.615 0.854 1.000 0.700 CB 1.654 11 residues pruned to eliminate duplicates Z: 9 20.296 1.896 0.766 0.834 1.000 0.750 CA 1.606 9 residues pruned to eliminate duplicates Z: 10 9.796 1.809 0.263 0.869 1.000 0.889 CB 1.044 10 residues pruned to eliminate duplicates Z: 35 26.759 2.020 0.732 0.602 0.912 0.441 CB 1.306 32 residues pruned to eliminate duplicates Z: 23 33.147 1.896 0.976 0.907 0.909 0.591 CA 1.475 23 residues pruned to eliminate duplicates Z: 9 13.204 1.855 0.974 0.835 0.750 0.750 CB 1.274 9 residues pruned to eliminate duplicates Z: 11 10.900 1.657 0.370 0.890 1.000 0.800 CB 1.092 11 residues pruned to eliminate duplicates Z: 19 10.145 1.736 0.466 0.356 0.833 0.556 CB 1.317 19 residues pruned to eliminate duplicates Z: 10 6.370 1.704 0.625 0.176 0.778 0.444 O 1.458 Z: 41 27.124 1.878 0.761 0.555 0.900 0.625 CB 1.366 41 residues pruned to eliminate duplicates Z: 14 13.572 1.540 0.734 0.879 0.923 0.385 CB 1.108 14 residues pruned to eliminate duplicates 6 0.823 1.314 -0.189 0.475 0.800 0.800 CB 0.443 ? Z: 8 5.257 1.575 0.383 0.490 0.714 0.571 N 1.290 Z: 28 25.397 1.903 0.700 0.692 0.889 0.778 CB 1.426 28 residues pruned to eliminate duplicates Z: 8 23.725 2.272 1.408 0.906 1.000 0.429 CB 1.165 8 residues pruned to eliminate duplicates Z: 9 5.968 1.925 0.437 0.235 0.750 0.375 CB 1.384 Z: 17 18.712 1.641 0.655 0.893 0.875 0.562 CA 1.413 17 residues pruned to eliminate duplicates Z: 7 18.425 1.906 0.950 0.798 1.000 0.833 CA 1.559 7 residues pruned to eliminate duplicates Z: 24 22.493 1.925 1.064 0.560 0.783 0.478 CB 1.423 24 residues pruned to eliminate duplicates Z: 22 20.825 1.713 0.497 0.940 1.000 0.762 CB 1.230 21 residues pruned to eliminate duplicates Z: 21 11.759 1.690 0.625 0.628 0.900 0.600 CB 0.943 21 residues pruned to eliminate duplicates Z: 11 6.722 1.551 0.747 0.667 0.900 0.900 CB 0.746 Z: 14 20.371 1.813 0.649 0.853 0.923 0.615 CA 1.513 14 residues pruned to eliminate duplicates Z: 23 23.222 1.865 0.783 0.920 0.818 0.682 CB 1.282 23 residues pruned to eliminate duplicates Z: 6 8.896 1.493 1.005 0.851 1.000 0.800 CA 0.984 Z: 24 24.592 1.789 0.665 0.927 0.913 0.522 CB 1.322 24 residues pruned to eliminate duplicates Z: 20 26.399 2.015 1.053 0.872 1.000 0.684 CB 1.068 20 residues pruned to eliminate duplicates Z: 10 9.933 1.781 0.364 0.687 0.889 0.667 CB 1.291 10 residues pruned to eliminate duplicates Z: 7 9.745 1.987 0.777 0.899 1.000 0.833 CA 0.805 7 residues pruned to eliminate duplicates Z: 9 3.104 1.650 0.346 0.271 0.750 0.250 CB 0.854 9 residues pruned to eliminate duplicates Z: 7 5.273 1.617 0.678 0.286 1.000 0.500 CB 1.010 7 residues pruned to eliminate duplicates Z: 6 5.323 1.724 0.530 0.491 0.800 0.600 N 1.138 Z: 7 7.359 1.643 0.569 0.620 0.833 0.500 CA 1.248 7 residues pruned to eliminate duplicates Z: 6 3.002 1.459 0.176 0.678 1.000 0.800 CB 0.664 Z: 12 9.478 1.600 0.428 0.850 0.818 0.727 CB 1.132 11 residues pruned to eliminate duplicates Z: 13 15.956 1.821 0.607 0.893 1.000 0.667 CB 1.130 12 residues pruned to eliminate duplicates Z: 11 7.872 1.826 0.930 0.385 0.900 0.600 CB 0.887 Z: 42 26.207 2.021 0.568 0.491 0.878 0.561 CB 1.484 42 residues pruned to eliminate duplicates Z: 8 9.335 1.851 0.385 0.858 1.000 0.857 CB 1.014 8 residues pruned to eliminate duplicates Z: 10 8.898 1.813 0.275 0.495 1.000 0.444 CB 1.290 13 residues pruned to eliminate duplicates Z: 10 13.863 1.673 0.922 0.852 0.889 0.778 CB 1.196 10 residues pruned to eliminate duplicates Z: 23 34.186 1.909 0.900 0.936 0.955 0.636 CA 1.466 23 residues pruned to eliminate duplicates Z: 8 3.584 1.514 0.445 0.409 0.857 0.714 CB 0.795 8 residues pruned to eliminate duplicates Z: 10 5.532 1.871 0.003 0.499 1.000 0.667 CB 0.984 19 residues pruned to eliminate duplicates Z: 8 12.127 1.655 1.079 0.793 1.000 0.714 CA 1.030 8 residues pruned to eliminate duplicates Z: 21 23.814 1.930 0.929 0.751 0.950 0.550 CB 1.203 21 residues pruned to eliminate duplicates Z: 7 11.055 1.840 0.371 0.876 1.000 0.833 CB 1.300 7 residues pruned to eliminate duplicates Z: 7 2.655 1.581 0.426 0.247 0.667 0.500 CB 0.966 7 residues pruned to eliminate duplicates Z: 22 14.320 1.703 0.224 0.910 1.000 0.905 CB 1.063 22 residues pruned to eliminate duplicates Z: 14 25.465 2.034 0.693 0.820 1.000 0.692 CB 1.553 14 residues pruned to eliminate duplicates Z: 9 18.880 1.961 0.749 0.795 1.000 0.625 CB 1.502 Z: 30 49.337 1.969 1.099 0.923 1.000 0.793 CB 1.558 30 residues pruned to eliminate duplicates Z: 6 5.281 1.571 0.555 0.476 0.800 0.600 CA 1.238 6 residues pruned to eliminate duplicates Z: 13 5.104 1.566 0.197 0.351 0.917 0.417 CB 1.008 13 residues pruned to eliminate duplicates Z: 11 3.975 1.414 0.428 0.391 0.900 0.300 CB 0.776 6 1.896 1.578 0.422 0.297 0.600 0.600 CB 0.790 ? Z: 12 11.089 1.504 0.525 0.808 0.909 0.545 CA 1.226 12 residues pruned to eliminate duplicates Z: 18 20.547 1.755 0.731 0.878 0.882 0.588 CA 1.349 18 residues pruned to eliminate duplicates Z: 23 28.691 1.926 0.745 0.901 0.864 0.636 CB 1.504 23 residues pruned to eliminate duplicates Z: 20 20.405 1.991 0.741 0.601 0.947 0.526 CB 1.294 20 residues pruned to eliminate duplicates Z: 29 34.063 1.860 0.821 0.921 0.964 0.714 CB 1.387 29 residues pruned to eliminate duplicates Z: 15 9.054 1.769 0.360 0.619 0.786 0.643 CB 1.144 15 residues pruned to eliminate duplicates Z: 31 50.504 2.139 0.958 0.917 0.967 0.833 CB 1.608 31 residues pruned to eliminate duplicates Z: 17 25.451 1.875 0.705 0.897 1.000 0.750 CA 1.425 17 residues pruned to eliminate duplicates Z: 9 14.066 2.092 0.508 0.478 1.000 0.750 CB 1.611 9 residues pruned to eliminate duplicates Z: 13 7.726 1.627 0.439 0.487 0.750 0.667 CA 1.286 13 residues pruned to eliminate duplicates Z: 9 14.890 1.900 0.411 0.893 1.000 0.750 CB 1.410 9 residues pruned to eliminate duplicates Z: 38 32.936 1.967 0.727 0.750 0.919 0.703 CB 1.388 38 residues pruned to eliminate duplicates Z: 12 19.452 1.738 0.732 0.872 1.000 0.909 CB 1.419 13 residues pruned to eliminate duplicates Z: 8 16.563 1.680 1.181 0.870 1.000 0.857 CB 1.248 8 residues pruned to eliminate duplicates Z: 23 18.736 1.765 0.306 0.916 0.955 0.818 CB 1.282 23 residues pruned to eliminate duplicates Z: 7 16.880 1.841 0.985 0.858 1.000 0.833 N 1.389 7 residues pruned to eliminate duplicates Z: 13 13.869 1.808 0.336 0.856 1.000 0.917 CB 1.223 13 residues pruned to eliminate duplicates Z: 30 36.942 1.859 1.158 0.898 1.000 0.586 CB 1.224 30 residues pruned to eliminate duplicates Z: 19 8.633 1.460 0.513 0.507 0.889 0.444 CA 1.029 12 residues pruned to eliminate duplicates Z: 6 11.401 1.609 0.765 0.829 1.000 0.800 CB 1.351 6 residues pruned to eliminate duplicates Z: 15 12.258 1.529 0.595 0.650 1.000 0.571 CB 1.168 15 residues pruned to eliminate duplicates Z: 33 27.675 2.033 0.963 0.456 0.906 0.625 CB 1.416 33 residues pruned to eliminate duplicates Z: 29 32.167 1.845 1.048 0.901 0.821 0.464 CB 1.398 29 residues pruned to eliminate duplicates Z: 29 33.363 1.862 0.939 0.927 0.964 0.821 CB 1.269 29 residues pruned to eliminate duplicates Z: 16 18.581 1.728 0.576 0.885 1.000 0.867 CA 1.271 16 residues pruned to eliminate duplicates Z: 7 7.638 1.590 0.262 0.700 1.000 0.500 CA 1.295 7 residues pruned to eliminate duplicates Z: 7 13.860 1.925 0.625 0.814 1.000 0.667 CA 1.377 7 residues pruned to eliminate duplicates Z: 14 17.871 1.747 0.483 0.872 1.000 0.692 CB 1.394 14 residues pruned to eliminate duplicates Z: 9 4.226 1.533 0.463 0.292 0.750 0.250 CB 1.121 7 residues pruned to eliminate duplicates Z: 32 48.259 2.065 0.969 0.930 1.000 0.903 CA 1.490 32 residues pruned to eliminate duplicates Z: 11 18.713 1.859 0.666 0.896 1.000 0.900 CB 1.369 11 residues pruned to eliminate duplicates Z: 18 22.880 1.880 0.721 0.845 0.941 0.824 CA 1.356 18 residues pruned to eliminate duplicates Z: 8 9.001 1.899 0.698 0.417 1.000 0.714 CB 1.151 9 residues pruned to eliminate duplicates Z: 29 33.722 1.914 1.116 0.907 0.893 0.571 CB 1.253 29 residues pruned to eliminate duplicates Z: 31 50.251 2.097 1.064 0.925 0.967 0.533 CB 1.538 31 residues pruned to eliminate duplicates Z: 12 11.407 1.600 0.218 0.884 1.000 0.909 CA 1.275 14 residues pruned to eliminate duplicates Z: 7 3.227 1.756 0.160 0.379 0.667 0.500 CB 1.104 3 residues pruned to eliminate duplicates Z: 8 8.336 1.653 0.556 0.672 0.857 0.571 CB 1.219 8 residues pruned to eliminate duplicates Z: 13 16.517 1.780 0.436 0.882 1.000 0.833 CA 1.349 13 residues pruned to eliminate duplicates Z: 46 28.215 1.885 0.728 0.535 0.911 0.489 CB 1.370 57 residues pruned to eliminate duplicates Z: 25 26.844 1.828 0.522 0.905 0.958 0.917 CA 1.463 25 residues pruned to eliminate duplicates Z: 11 16.287 1.784 0.493 0.898 1.000 0.900 CB 1.383 11 residues pruned to eliminate duplicates Z: 12 8.747 1.704 0.137 0.845 1.000 0.455 CB 1.012 12 residues pruned to eliminate duplicates Z: 6 4.903 1.512 0.622 0.744 0.600 0.600 CB 1.198 6 residues pruned to eliminate duplicates Z: 7 4.351 1.550 0.278 0.380 0.833 0.500 O 1.223 7 residues pruned to eliminate duplicates Z: 8 2.233 1.664 0.180 0.104 0.571 0.286 CA 1.245 8 residues pruned to eliminate duplicates Z: 13 11.417 1.713 0.648 0.551 1.000 0.417 CB 1.111 13 residues pruned to eliminate duplicates Z: 16 19.256 1.816 0.669 0.780 0.867 0.600 CB 1.479 16 residues pruned to eliminate duplicates Z: 27 34.866 1.823 1.042 0.916 0.923 0.731 CB 1.406 27 residues pruned to eliminate duplicates Z: 52 46.696 2.000 0.941 0.726 0.941 0.765 CB 1.460 52 residues pruned to eliminate duplicates Z: 32 35.603 2.101 1.080 0.686 0.871 0.710 CB 1.416 32 residues pruned to eliminate duplicates Z: 26 23.204 1.890 0.877 0.589 0.880 0.680 CB 1.365 26 residues pruned to eliminate duplicates Z: 8 2.168 1.417 0.128 0.341 0.714 0.286 N 0.853 8 residues pruned to eliminate duplicates Z: 12 14.240 1.769 0.733 0.932 1.000 1.000 CB 0.978 13 residues pruned to eliminate duplicates Z: 6 6.982 1.545 0.458 0.731 1.000 0.800 CB 1.126 7 residues pruned to eliminate duplicates Z: 29 18.584 1.967 0.850 0.375 0.786 0.536 CB 1.404 29 residues pruned to eliminate duplicates Z: 12 22.634 1.883 0.881 0.924 1.000 1.000 CB 1.353 12 residues pruned to eliminate duplicates Z: 30 23.572 1.927 0.798 0.621 0.828 0.621 CB 1.362 30 residues pruned to eliminate duplicates Z: 10 4.309 1.598 0.515 0.358 0.556 0.444 CB 1.245 10 residues pruned to eliminate duplicates Z: 12 12.470 1.685 0.406 0.903 1.000 0.727 CB 1.131 12 residues pruned to eliminate duplicates Z: 6 3.970 1.754 -0.162 0.671 0.800 0.600 N 1.289 Z: 14 22.635 1.924 0.652 0.929 1.000 0.769 CB 1.382 14 residues pruned to eliminate duplicates Z: 12 9.028 1.591 0.430 0.883 0.909 0.727 CB 0.952 12 residues pruned to eliminate duplicates Z: 8 4.723 1.421 0.582 0.492 0.714 0.571 CB 1.121 Z: 11 11.406 1.546 0.495 0.796 1.000 0.600 CB 1.204 11 residues pruned to eliminate duplicates Z: 13 11.694 1.610 0.398 0.775 0.917 0.667 CB 1.283 13 residues pruned to eliminate duplicates Z: 6 5.069 1.692 0.522 0.481 0.800 0.400 N 1.122 Z: 13 11.713 1.748 0.560 0.888 0.917 0.833 CB 0.974 13 residues pruned to eliminate duplicates Z: 32 26.622 1.866 0.928 0.607 0.903 0.548 CB 1.329 32 residues pruned to eliminate duplicates Z: 7 8.840 1.769 0.684 0.738 1.000 0.667 CB 0.979 Z: 32 25.147 1.754 0.680 0.709 0.935 0.613 CA 1.355 32 residues pruned to eliminate duplicates Z: 39 56.661 2.189 1.085 0.840 1.000 0.789 CA 1.503 39 residues pruned to eliminate duplicates Z: 16 15.821 1.752 0.811 0.796 0.667 0.267 CB 1.490 16 residues pruned to eliminate duplicates Z: 13 14.238 1.802 0.329 0.860 1.000 0.750 CB 1.263 13 residues pruned to eliminate duplicates Z: 6 4.719 1.608 0.603 0.563 0.800 0.400 CB 0.962 Z: 39 27.163 1.893 0.693 0.602 0.921 0.632 CB 1.355 29 residues pruned to eliminate duplicates Z: 6 3.775 1.503 0.042 0.620 1.000 0.600 CB 0.963 6 residues pruned to eliminate duplicates Z: 7 5.449 1.485 0.461 0.472 1.000 0.667 CB 1.055 7 residues pruned to eliminate duplicates Z: 25 23.799 1.795 0.436 0.895 0.958 0.875 CA 1.410 25 residues pruned to eliminate duplicates Z: 9 9.406 1.674 0.243 0.763 1.000 0.625 CA 1.266 9 residues pruned to eliminate duplicates Z: 15 22.998 1.871 0.807 0.925 0.929 0.857 CB 1.373 15 residues pruned to eliminate duplicates Z: 16 15.138 1.675 0.635 0.833 0.933 0.600 CB 1.147 16 residues pruned to eliminate duplicates Z: 15 26.700 1.899 1.003 0.900 1.000 0.714 CB 1.340 15 residues pruned to eliminate duplicates Z: 12 10.156 1.882 0.587 0.390 0.909 0.818 CB 1.267 13 residues pruned to eliminate duplicates Z: 11 9.747 1.877 0.595 0.378 0.900 0.600 CA 1.303 7 residues pruned to eliminate duplicates Z: 18 13.922 1.611 0.307 0.913 0.941 0.824 CB 1.206 18 residues pruned to eliminate duplicates Z: 11 4.655 1.380 0.373 0.320 0.800 0.300 CB 1.185 5 residues pruned to eliminate duplicates Z: 11 10.207 1.819 0.425 0.590 0.900 0.800 CB 1.269 11 residues pruned to eliminate duplicates Z: 29 23.480 1.869 0.677 0.587 0.929 0.607 CA 1.403 29 residues pruned to eliminate duplicates Z: 24 27.665 1.849 0.829 0.901 0.913 0.609 CB 1.333 24 residues pruned to eliminate duplicates Z: 28 20.911 1.724 0.612 0.833 0.852 0.630 CB 1.276 28 residues pruned to eliminate duplicates Z: 8 8.188 1.591 0.668 0.679 0.857 0.429 CB 1.154 8 residues pruned to eliminate duplicates Z: 6 6.572 1.637 0.837 0.608 1.000 0.800 CA 0.882 6 residues pruned to eliminate duplicates 6 1.609 1.425 -0.041 0.598 1.000 0.800 CB 0.480 ? Z: 15 20.827 1.841 0.653 0.912 0.929 0.857 CB 1.395 15 residues pruned to eliminate duplicates Z: 29 29.517 1.830 0.768 0.792 1.000 0.679 CB 1.335 29 residues pruned to eliminate duplicates 6 -0.019 1.714 0.997 0.320 0.800 0.200 CB-0.004 ? Z: 6 5.749 1.512 0.930 0.489 0.800 0.400 CB 1.113 Z: 8 4.193 1.524 0.910 0.378 0.857 0.571 CB 0.723 6 residues pruned to eliminate duplicates Z: 24 19.016 1.775 0.400 0.840 0.913 0.652 CA 1.305 24 residues pruned to eliminate duplicates Z: 7 11.285 1.797 0.730 0.839 1.000 0.833 CB 1.107 7 residues pruned to eliminate duplicates Z: 7 5.309 1.404 0.203 0.745 0.833 0.667 O 1.237 7 residues pruned to eliminate duplicates Z: 37 26.621 1.858 0.814 0.735 0.889 0.556 CB 1.199 37 residues pruned to eliminate duplicates 6 0.848 1.698 0.624 0.738 1.000 0.800 CB 0.111 ? Z: 13 16.687 1.705 0.544 0.834 0.917 0.750 N 1.496 13 residues pruned to eliminate duplicates Z: 10 15.526 1.798 0.510 0.877 1.000 0.889 CA 1.384 10 residues pruned to eliminate duplicates Z: 32 26.405 2.002 0.802 0.593 0.871 0.548 CB 1.381 37 residues pruned to eliminate duplicates Z: 31 23.204 1.989 0.525 0.616 0.900 0.433 CB 1.391 32 residues pruned to eliminate duplicates Z: 6 3.342 1.720 0.427 0.385 0.800 0.600 CA 0.860 Z: 13 19.841 1.801 0.768 0.937 1.000 0.417 CB 1.252 14 residues pruned to eliminate duplicates Z: 30 19.252 1.769 0.436 0.555 0.897 0.621 CB 1.488 30 residues pruned to eliminate duplicates Z: 13 15.243 1.820 0.325 0.900 1.000 0.833 CB 1.303 13 residues pruned to eliminate duplicates Z: 15 19.037 1.780 0.508 0.918 1.000 1.000 CB 1.336 15 residues pruned to eliminate duplicates Z: 17 26.179 1.969 0.648 0.853 0.938 0.688 CA 1.591 17 residues pruned to eliminate duplicates Z: 7 5.765 1.459 0.395 0.785 0.833 0.667 CA 1.080 7 residues pruned to eliminate duplicates Z: 6 3.033 1.608 0.457 0.454 0.800 0.600 CB 0.758 Z: 17 29.684 1.944 0.836 0.880 1.000 0.688 CA 1.507 17 residues pruned to eliminate duplicates Z: 13 14.573 1.658 0.434 0.909 1.000 0.750 CB 1.256 13 residues pruned to eliminate duplicates Z: 11 19.932 1.847 0.838 0.917 1.000 1.000 CA 1.311 11 residues pruned to eliminate duplicates Z: 10 12.065 1.765 0.651 0.563 0.889 0.556 N 1.460 10 residues pruned to eliminate duplicates Z: 26 17.284 1.711 0.745 0.585 0.800 0.520 CB 1.334 26 residues pruned to eliminate duplicates Z: 8 10.426 1.705 0.148 0.877 1.000 0.714 CB 1.463 8 residues pruned to eliminate duplicates Z: 6 7.458 1.856 0.383 0.708 1.000 0.600 CB 1.075 6 residues pruned to eliminate duplicates Z: 19 15.224 1.994 0.710 0.344 0.889 0.444 CB 1.402 19 residues pruned to eliminate duplicates Z: 10 4.707 1.546 0.780 0.277 0.889 0.444 CB 0.825 7 residues pruned to eliminate duplicates Z: 8 2.340 1.387 0.357 0.276 1.000 0.286 CB 0.605 Z: 46 22.709 1.811 0.753 0.554 0.933 0.622 CB 1.084 46 residues pruned to eliminate duplicates Z: 14 16.592 1.800 0.553 0.897 1.000 0.923 CB 1.178 14 residues pruned to eliminate duplicates Z: 16 18.048 1.797 0.572 0.862 1.000 0.867 CB 1.211 16 residues pruned to eliminate duplicates Z: 7 4.077 1.412 0.468 0.364 1.000 0.833 N 0.929 Z: 7 4.994 1.645 0.253 0.793 0.833 0.333 CB 0.918 7 residues pruned to eliminate duplicates Z: 10 17.167 1.838 0.409 0.866 1.000 0.778 CA 1.617 10 residues pruned to eliminate duplicates Z: 22 24.904 1.799 0.980 0.924 0.952 0.333 CB 1.126 22 residues pruned to eliminate duplicates Z: 23 17.790 1.865 0.563 0.636 0.909 0.727 CB 1.260 23 residues pruned to eliminate duplicates Z: 31 38.192 2.114 0.632 0.912 1.000 0.900 CA 1.431 31 residues pruned to eliminate duplicates Z: 31 29.434 1.944 0.922 0.593 0.933 0.767 CB 1.409 31 residues pruned to eliminate duplicates Z: 18 16.472 1.809 0.447 0.747 0.941 0.824 CA 1.301 18 residues pruned to eliminate duplicates Z: 15 25.964 1.942 0.858 0.892 0.929 0.857 CA 1.487 15 residues pruned to eliminate duplicates Z: 12 19.673 1.756 0.962 0.884 1.000 0.909 CA 1.244 12 residues pruned to eliminate duplicates Z: 6 12.148 1.894 0.715 0.745 1.000 0.800 CB 1.343 5 residues pruned to eliminate duplicates Z: 14 14.555 1.751 0.638 0.562 1.000 0.615 CA 1.325 14 residues pruned to eliminate duplicates Z: 14 7.543 1.440 0.490 0.673 1.000 0.462 CB 0.831 12 residues pruned to eliminate duplicates Z: 30 37.022 1.937 1.083 0.934 0.931 0.655 CB 1.276 30 residues pruned to eliminate duplicates Z: 32 48.197 2.044 1.277 0.934 0.968 0.452 CB 1.340 32 residues pruned to eliminate duplicates Z: 42 40.534 1.909 0.915 0.871 0.927 0.683 CB 1.364 42 residues pruned to eliminate duplicates Z: 17 7.590 1.787 0.893 0.502 0.688 0.562 CB 0.815 17 residues pruned to eliminate duplicates Z: 9 13.417 1.815 0.345 0.897 1.000 0.750 CA 1.390 9 residues pruned to eliminate duplicates 7 1.923 1.276 0.262 0.357 0.833 0.500 CB 0.683 ? Z: 40 20.543 1.895 0.720 0.528 0.795 0.513 CB 1.235 40 residues pruned to eliminate duplicates Z: 8 3.252 1.400 0.337 0.548 0.857 0.571 CB 0.731 Z: 31 51.253 2.083 1.291 0.928 0.933 0.567 CB 1.471 31 residues pruned to eliminate duplicates 6 0.997 1.279 0.363 0.291 0.400 0.400 CB 0.809 ? Z: 24 21.260 1.850 0.499 0.678 0.957 0.609 CA 1.419 24 residues pruned to eliminate duplicates Z: 15 9.364 1.622 0.392 0.510 1.000 0.500 CB 1.097 15 residues pruned to eliminate duplicates Z: 39 18.109 1.794 0.574 0.540 0.868 0.684 CB 1.151 39 residues pruned to eliminate duplicates Z: 6 3.127 1.449 0.713 0.478 0.800 0.400 CB 0.720 Z: 27 20.586 1.768 0.724 0.717 0.885 0.654 CB 1.231 27 residues pruned to eliminate duplicates Z: 6 3.388 1.571 0.206 0.307 0.800 0.600 CB 1.238 6 residues pruned to eliminate duplicates Z: 29 21.907 1.807 0.572 0.644 0.929 0.679 CB 1.373 29 residues pruned to eliminate duplicates Z: 17 5.907 1.580 0.447 0.336 0.750 0.438 CB 1.030 Z: 34 14.030 1.869 0.732 0.325 0.788 0.424 CB 1.161 34 residues pruned to eliminate duplicates Z: 7 2.050 1.459 -0.033 0.517 0.833 0.833 CB 0.700 Z: 13 15.189 1.750 0.386 0.871 1.000 0.833 CB 1.319 13 residues pruned to eliminate duplicates Z: 19 15.064 1.599 0.362 0.889 1.000 0.833 CB 1.175 19 residues pruned to eliminate duplicates Z: 22 24.038 1.824 0.468 0.882 1.000 0.762 CB 1.417 22 residues pruned to eliminate duplicates Z: 12 9.142 1.726 0.262 0.863 1.000 0.909 CB 0.929 12 residues pruned to eliminate duplicates Z: 29 30.656 1.824 1.018 0.899 0.964 0.750 CB 1.167 29 residues pruned to eliminate duplicates Z: 20 7.742 1.759 0.479 0.370 0.789 0.526 CB 0.993 21 residues pruned to eliminate duplicates Z: 9 9.345 1.765 0.565 0.842 0.875 0.625 CB 1.019 9 residues pruned to eliminate duplicates Z: 16 14.956 1.607 0.454 0.900 0.933 0.733 CB 1.265 16 residues pruned to eliminate duplicates Z: 15 8.539 1.574 0.471 0.552 0.929 0.500 CB 1.009 9 residues pruned to eliminate duplicates Z: 15 9.310 1.397 0.211 0.919 1.000 1.000 CA 1.037 15 residues pruned to eliminate duplicates Z: 32 43.777 2.022 0.842 0.942 1.000 0.903 CA 1.464 38 residues pruned to eliminate duplicates Z: 29 41.910 1.871 1.142 0.932 0.964 0.536 CB 1.431 29 residues pruned to eliminate duplicates Z: 9 4.735 1.522 0.345 0.319 1.000 0.625 CB 0.999 Z: 23 44.048 2.086 1.307 0.934 0.955 0.500 CB 1.426 23 residues pruned to eliminate duplicates Z: 22 23.717 1.789 0.700 0.906 0.905 0.762 CB 1.338 22 residues pruned to eliminate duplicates Z: 11 11.337 1.797 0.204 0.874 0.900 0.900 CA 1.340 11 residues pruned to eliminate duplicates Z: 22 33.459 1.954 1.058 0.933 0.905 0.619 CB 1.400 22 residues pruned to eliminate duplicates Z: 24 24.385 1.837 0.641 0.910 0.957 0.783 CB 1.251 24 residues pruned to eliminate duplicates Z: 9 8.821 1.960 0.839 0.282 0.750 0.625 CB 1.477 9 residues pruned to eliminate duplicates Z: 30 19.328 1.818 0.440 0.618 0.897 0.586 CB 1.367 30 residues pruned to eliminate duplicates Z: 6 6.552 1.437 0.624 0.620 1.000 1.000 C 1.121 5 residues pruned to eliminate duplicates Z: 13 14.046 1.722 0.335 0.923 1.000 0.917 CB 1.240 13 residues pruned to eliminate duplicates Z: 7 4.585 1.662 0.256 0.249 1.000 0.500 CB 1.197 7 residues pruned to eliminate duplicates Z: 24 27.202 1.922 1.142 0.664 0.913 0.696 CB 1.297 34 residues pruned to eliminate duplicates Z: 23 21.418 1.851 0.363 0.906 1.000 0.909 CA 1.287 23 residues pruned to eliminate duplicates Z: 21 7.449 1.560 0.392 0.405 0.750 0.400 CB 1.129 21 residues pruned to eliminate duplicates Z: 47 23.777 1.836 0.712 0.572 0.848 0.674 CB 1.227 47 residues pruned to eliminate duplicates Z: 31 39.569 1.968 0.862 0.899 0.967 0.833 CB 1.457 31 residues pruned to eliminate duplicates Z: 23 21.850 1.879 0.625 0.642 0.909 0.682 CA 1.469 21 residues pruned to eliminate duplicates Z: 16 17.558 2.033 0.603 0.543 1.000 0.800 CB 1.334 16 residues pruned to eliminate duplicates Z: 8 3.043 1.557 0.512 0.219 0.714 0.429 CB 0.952 Z: 15 14.297 1.659 0.411 0.901 1.000 0.857 CA 1.165 15 residues pruned to eliminate duplicates Z: 11 9.906 1.797 0.371 0.853 0.900 0.800 CB 1.044 11 residues pruned to eliminate duplicates Z: 19 7.737 1.529 0.412 0.407 0.889 0.556 CB 1.048 19 residues pruned to eliminate duplicates Z: 7 5.735 1.357 0.664 0.826 0.833 0.667 CB 0.938 7 residues pruned to eliminate duplicates Z: 17 9.554 1.477 0.514 0.497 0.938 0.500 CB 1.143 Z: 13 19.681 1.912 0.556 0.915 1.000 0.917 CB 1.350 13 residues pruned to eliminate duplicates Z: 21 17.036 1.702 0.715 0.858 0.900 0.500 CB 1.068 21 residues pruned to eliminate duplicates Z: 13 11.433 1.719 0.737 0.510 0.833 0.667 CB 1.313 13 residues pruned to eliminate duplicates Z: 24 23.665 1.765 0.676 0.851 1.000 0.565 CB 1.235 24 residues pruned to eliminate duplicates Z: 7 5.623 1.415 0.530 0.752 0.833 0.833 O 1.016 Z: 8 6.716 1.525 0.401 0.722 0.857 0.429 CB 1.134 8 residues pruned to eliminate duplicates Z: 21 16.628 1.706 0.452 0.900 0.950 0.750 CB 1.128 21 residues pruned to eliminate duplicates Z: 32 25.830 1.910 0.819 0.569 0.935 0.548 CB 1.335 32 residues pruned to eliminate duplicates Z: 13 8.842 1.511 0.689 0.882 0.833 0.417 CB 0.868 13 residues pruned to eliminate duplicates Z: 20 4.521 1.690 0.268 0.262 0.789 0.421 CB 0.804 13 residues pruned to eliminate duplicates Z: 6 5.964 1.828 0.347 0.509 0.800 0.600 CB 1.343 6 residues pruned to eliminate duplicates Z: 10 10.798 1.691 0.478 0.705 1.000 0.667 CB 1.195 10 residues pruned to eliminate duplicates Z: 24 13.267 1.837 0.762 0.556 0.870 0.435 CB 0.931 28 residues pruned to eliminate duplicates Z: 38 27.705 1.896 0.863 0.590 0.892 0.514 CB 1.326 38 residues pruned to eliminate duplicates Z: 21 24.696 1.856 0.717 0.929 0.900 0.700 CB 1.347 21 residues pruned to eliminate duplicates Z: 8 7.239 1.463 0.372 0.812 1.000 0.714 CB 1.038 Z: 28 28.186 1.935 0.903 0.650 0.963 0.556 CB 1.330 28 residues pruned to eliminate duplicates Z: 11 13.698 1.787 0.719 0.816 0.800 0.700 CB 1.340 11 residues pruned to eliminate duplicates Z: 11 9.304 1.618 0.468 0.867 0.800 0.600 CB 1.133 11 residues pruned to eliminate duplicates Z: 14 6.417 1.591 0.343 0.383 0.769 0.385 CB 1.226 7 residues pruned to eliminate duplicates Z: 18 12.343 1.799 0.684 0.523 0.824 0.588 CB 1.173 18 residues pruned to eliminate duplicates Z: 43 31.102 2.072 0.920 0.489 0.857 0.500 CB 1.423 43 residues pruned to eliminate duplicates Z: 7 5.728 2.002 0.228 0.233 0.833 0.500 CB 1.558 7 residues pruned to eliminate duplicates Z: 12 14.295 1.878 0.419 0.909 0.909 0.455 CB 1.263 12 residues pruned to eliminate duplicates Z: 29 22.050 1.804 0.536 0.665 0.929 0.679 CA 1.390 29 residues pruned to eliminate duplicates Z: 14 13.682 1.513 0.399 0.850 1.000 0.615 CB 1.327 15 residues pruned to eliminate duplicates Z: 8 5.675 1.698 0.378 0.678 1.000 0.714 CB 0.778 8 residues pruned to eliminate duplicates Z: 6 3.734 1.414 0.321 0.474 0.800 0.600 N 1.147 Z: 13 9.134 1.646 0.485 0.850 1.000 0.750 CB 0.799 11 residues pruned to eliminate duplicates Z: 13 3.913 1.332 0.769 0.253 0.667 0.250 N 0.955 Z: 30 47.545 2.091 1.253 0.908 0.897 0.655 CB 1.484 30 residues pruned to eliminate duplicates Z: 23 17.234 1.932 0.645 0.421 0.955 0.500 CB 1.315 23 residues pruned to eliminate duplicates Z: 15 16.809 1.819 0.778 0.806 0.786 0.571 CB 1.354 15 residues pruned to eliminate duplicates Z: 9 7.751 1.551 0.255 0.869 0.875 0.875 CB 1.175 16 residues pruned to eliminate duplicates 6 1.863 1.380 0.224 0.287 0.600 0.600 CA 1.045 ? Z: 9 14.855 1.853 0.751 0.840 0.875 0.625 CA 1.380 9 residues pruned to eliminate duplicates Z: 39 27.232 1.869 0.912 0.531 0.895 0.579 CB 1.341 39 residues pruned to eliminate duplicates Z: 13 11.333 1.753 0.586 0.885 0.917 0.583 CB 0.927 13 residues pruned to eliminate duplicates Z: 14 4.825 1.395 0.455 0.331 0.692 0.385 O 1.146 14 residues pruned to eliminate duplicates Z: 12 9.739 1.830 0.823 0.296 1.000 0.636 CB 1.106 12 residues pruned to eliminate duplicates Z: 7 2.517 1.359 0.346 0.535 0.667 0.333 CB 0.814 Z: 24 28.808 1.869 0.893 0.885 0.913 0.565 CA 1.342 24 residues pruned to eliminate duplicates Z: 19 17.396 1.834 0.754 0.421 0.889 0.556 CA 1.557 19 residues pruned to eliminate duplicates Z: 6 2.211 1.289 0.036 0.444 0.800 0.400 N 0.979 Z: 18 12.636 1.739 0.757 0.452 0.824 0.529 CB 1.280 18 residues pruned to eliminate duplicates Z: 14 16.236 1.758 0.529 0.883 1.000 0.923 CB 1.211 14 residues pruned to eliminate duplicates Z: 6 3.488 1.469 0.509 0.505 1.000 0.600 CB 0.700 Z: 6 2.903 1.577 0.093 0.282 0.800 0.600 CA 1.204 Z: 13 14.560 1.799 0.538 0.914 1.000 0.917 CB 1.074 13 residues pruned to eliminate duplicates Z: 27 18.563 1.938 0.746 0.414 0.846 0.500 CB 1.391 27 residues pruned to eliminate duplicates Z: 6 3.088 1.524 0.204 0.802 1.000 1.000 CB 0.578 6 residues pruned to eliminate duplicates Z: 40 23.796 1.820 0.736 0.552 0.872 0.487 CB 1.314 40 residues pruned to eliminate duplicates Z: 41 24.360 1.820 0.653 0.647 0.900 0.700 CB 1.240 80 residues pruned to eliminate duplicates Z: 15 23.708 1.874 0.749 0.912 1.000 1.000 CB 1.369 15 residues pruned to eliminate duplicates Z: 15 31.871 1.929 0.997 0.919 1.000 1.000 CA 1.557 15 residues pruned to eliminate duplicates Z: 15 23.926 1.870 0.715 0.904 1.000 0.786 CA 1.419 15 residues pruned to eliminate duplicates Z: 30 47.178 2.004 1.303 0.914 1.000 0.655 CB 1.342 30 residues pruned to eliminate duplicates Z: 8 6.409 1.731 0.233 0.421 0.857 0.714 N 1.437 8 residues pruned to eliminate duplicates Z: 8 6.977 1.667 0.522 0.361 0.857 0.571 CB 1.408 Z: 15 18.028 1.808 0.320 0.939 1.000 1.000 CA 1.403 15 residues pruned to eliminate duplicates Z: 6 5.618 1.573 -0.025 0.822 1.000 0.800 CB 1.239 Z: 9 6.932 1.516 0.729 0.804 0.875 0.750 CB 0.820 9 residues pruned to eliminate duplicates 6 1.155 1.411 0.468 0.293 0.600 0.400 CB 0.524 ? Z: 10 13.438 1.757 0.448 0.689 1.000 0.778 CA 1.481 10 residues pruned to eliminate duplicates Z: 16 24.107 1.734 0.921 0.852 1.000 0.400 CA 1.383 16 residues pruned to eliminate duplicates Z: 21 36.990 2.010 1.343 0.863 0.950 0.700 CB 1.357 21 residues pruned to eliminate duplicates Z: 13 13.210 1.643 0.523 0.891 1.000 0.750 CB 1.096 13 residues pruned to eliminate duplicates Z: 6 4.375 1.441 0.705 0.512 0.800 0.400 O 0.983 Z: 9 17.331 1.869 0.697 0.870 1.000 0.875 CA 1.411 9 residues pruned to eliminate duplicates Z: 11 9.229 1.742 0.367 0.546 0.900 0.600 CB 1.301 11 residues pruned to eliminate duplicates Z: 21 7.417 1.650 0.536 0.305 0.650 0.400 CA 1.251 21 residues pruned to eliminate duplicates Z: 7 8.612 1.681 0.493 0.762 1.000 0.833 CB 1.111 7 residues pruned to eliminate duplicates Z: 12 24.136 2.051 0.848 0.837 1.000 0.455 CB 1.436 12 residues pruned to eliminate duplicates Z: 26 35.283 1.852 1.007 0.879 1.000 0.640 CB 1.377 26 residues pruned to eliminate duplicates Z: 6 6.870 1.756 0.547 0.746 1.000 0.800 CB 0.908 Z: 32 21.560 1.843 0.534 0.598 0.903 0.484 CB 1.381 32 residues pruned to eliminate duplicates Z: 6 8.004 1.866 0.699 0.504 1.000 0.600 CB 1.124 6 residues pruned to eliminate duplicates Z: 13 10.201 1.675 0.473 0.541 0.917 0.583 CB 1.252 13 residues pruned to eliminate duplicates Z: 20 25.379 1.905 0.877 0.849 0.895 0.632 CA 1.349 20 residues pruned to eliminate duplicates Z: 11 8.487 1.543 0.311 0.592 1.000 0.700 CB 1.215 Z: 10 8.573 1.738 0.561 0.828 0.778 0.444 CB 1.019 10 residues pruned to eliminate duplicates Z: 17 17.310 1.839 0.727 0.698 0.875 0.688 CB 1.300 17 residues pruned to eliminate duplicates Z: 15 7.652 1.739 0.674 0.491 0.857 0.500 CB 0.827 15 residues pruned to eliminate duplicates Z: 13 14.198 1.706 0.671 0.892 1.000 0.833 CB 1.033 14 residues pruned to eliminate duplicates Z: 11 25.441 2.020 1.028 0.841 1.000 0.600 CB 1.464 12 residues pruned to eliminate duplicates Z: 34 21.170 1.970 0.600 0.438 0.879 0.636 CB 1.419 34 residues pruned to eliminate duplicates Z: 41 27.002 1.862 0.906 0.520 0.900 0.575 CB 1.311 41 residues pruned to eliminate duplicates Z: 11 8.109 1.651 0.545 0.317 0.900 0.500 CB 1.367 11 residues pruned to eliminate duplicates Z: 31 62.279 2.142 1.391 0.947 1.000 0.667 CB 1.534 31 residues pruned to eliminate duplicates Z: 41 27.449 1.939 0.534 0.617 0.875 0.750 CA 1.494 55 residues pruned to eliminate duplicates Z: 30 31.690 1.890 0.981 0.888 0.966 0.655 CB 1.173 30 residues pruned to eliminate duplicates Z: 23 25.014 1.859 0.592 0.875 0.955 0.727 CB 1.373 23 residues pruned to eliminate duplicates Z: 10 6.374 1.666 0.406 0.352 0.778 0.556 CB 1.369 10 residues pruned to eliminate duplicates Z: 6 2.852 1.105 0.249 0.793 1.000 1.000 C 0.715 Z: 40 39.480 1.932 0.955 0.871 0.923 0.513 CB 1.323 40 residues pruned to eliminate duplicates Z: 29 20.354 1.721 0.773 0.641 0.893 0.536 CB 1.238 28 residues pruned to eliminate duplicates Z: 11 9.905 1.596 0.325 0.860 1.000 0.600 CB 1.089 11 residues pruned to eliminate duplicates Z: 59 40.223 2.028 1.018 0.474 0.914 0.500 CB 1.450 59 residues pruned to eliminate duplicates Z: 6 2.308 1.202 -0.038 0.577 1.000 0.600 CB 0.828 Z: 17 23.399 1.928 1.281 0.637 0.812 0.625 CB 1.440 17 residues pruned to eliminate duplicates Z: 40 21.738 1.833 0.590 0.557 0.923 0.744 CB 1.224 28 residues pruned to eliminate duplicates Z: 10 13.739 1.808 0.540 0.792 0.889 0.667 CA 1.431 10 residues pruned to eliminate duplicates Z: 12 12.659 1.734 0.599 0.908 1.000 0.909 CB 0.978 12 residues pruned to eliminate duplicates Z: 20 15.979 1.950 0.772 0.352 0.947 0.632 CB 1.314 20 residues pruned to eliminate duplicates Z: 46 25.269 1.843 0.758 0.525 0.889 0.511 CB 1.275 46 residues pruned to eliminate duplicates Z: 38 26.815 2.083 0.889 0.489 0.892 0.514 CB 1.270 49 residues pruned to eliminate duplicates Z: 24 21.739 2.047 0.854 0.358 0.913 0.478 CB 1.525 24 residues pruned to eliminate duplicates Z: 11 16.114 1.813 0.522 0.841 1.000 0.800 CB 1.378 11 residues pruned to eliminate duplicates Z: 22 16.881 1.925 0.726 0.440 0.762 0.381 CB 1.547 22 residues pruned to eliminate duplicates Z: 7 9.697 1.718 0.684 0.719 0.833 0.667 CA 1.347 7 residues pruned to eliminate duplicates Z: 9 3.137 1.465 0.565 0.273 0.875 0.250 CB 0.714 Z: 7 5.425 1.299 0.245 0.692 1.000 0.667 CB 1.149 Z: 29 37.979 1.939 1.183 0.938 0.964 0.571 CB 1.223 29 residues pruned to eliminate duplicates Z: 7 2.322 1.572 -0.002 0.254 0.667 0.500 CA 1.204 Z: 15 14.513 1.763 0.568 0.556 0.929 0.714 CA 1.431 14 residues pruned to eliminate duplicates Z: 7 9.339 1.999 0.597 0.641 0.833 0.833 CB 1.256 7 residues pruned to eliminate duplicates Z: 20 18.911 1.716 0.482 0.926 1.000 0.789 CA 1.197 20 residues pruned to eliminate duplicates Z: 6 4.680 1.365 0.764 0.804 0.800 0.600 CB 0.833 Z: 14 4.532 1.559 0.715 0.285 0.615 0.385 CB 0.973 Z: 6 5.370 2.079 0.160 0.476 1.000 0.800 CB 1.020 Z: 11 20.177 1.848 1.069 0.908 1.000 0.800 CB 1.186 11 residues pruned to eliminate duplicates 6 0.723 1.197 -0.008 0.298 0.600 0.400 CB 0.569 ? Z: 10 3.098 1.402 0.185 0.239 0.778 0.333 CB 1.081 Z: 15 9.858 1.539 0.624 0.850 0.857 0.429 CB 0.911 15 residues pruned to eliminate duplicates Z: 41 26.238 1.869 0.478 0.560 0.950 0.650 CB 1.491 41 residues pruned to eliminate duplicates Z: 26 25.528 1.841 1.066 0.635 1.000 0.560 CB 1.183 26 residues pruned to eliminate duplicates Z: 29 32.821 1.936 0.629 0.921 1.000 0.929 CA 1.384 29 residues pruned to eliminate duplicates Z: 10 3.890 1.845 0.494 0.242 0.889 0.444 CB 0.713 10 residues pruned to eliminate duplicates Z: 6 4.800 1.514 0.183 0.520 1.000 0.600 CB 1.175 Z: 23 16.837 2.010 0.802 0.315 0.864 0.364 CB 1.408 23 residues pruned to eliminate duplicates Z: 6 10.352 1.915 0.713 0.679 0.800 0.600 CB 1.495 6 residues pruned to eliminate duplicates Z: 12 15.893 1.878 0.585 0.678 1.000 0.818 CB 1.367 12 residues pruned to eliminate duplicates Z: 15 7.393 1.337 0.350 0.897 0.929 0.786 CB 0.843 Z: 14 10.125 1.566 0.355 0.876 0.923 0.846 CB 1.042 14 residues pruned to eliminate duplicates Z: 12 9.241 1.533 0.469 0.908 0.909 0.636 CB 0.967 13 residues pruned to eliminate duplicates Z: 42 26.302 1.975 0.959 0.307 0.902 0.512 CB 1.457 42 residues pruned to eliminate duplicates Z: 6 2.666 1.394 0.248 0.707 0.600 0.600 CB 0.946 6 residues pruned to eliminate duplicates Z: 8 5.805 1.750 0.180 0.536 0.857 0.571 CA 1.197 8 residues pruned to eliminate duplicates Z: 13 22.376 1.666 1.032 0.929 1.000 0.417 CB 1.334 13 residues pruned to eliminate duplicates Z: 9 16.843 1.910 1.002 0.771 1.000 0.625 CB 1.225 8 residues pruned to eliminate duplicates Z: 15 7.204 1.477 0.506 0.408 0.929 0.643 CB 1.027 15 residues pruned to eliminate duplicates Z: 6 5.676 1.588 0.734 0.576 1.000 0.800 CB 0.857 6 residues pruned to eliminate duplicates Z: 14 20.158 1.808 0.764 0.921 1.000 0.923 CB 1.233 14 residues pruned to eliminate duplicates Z: 8 13.558 1.847 0.661 0.831 1.000 0.429 CB 1.255 8 residues pruned to eliminate duplicates Z: 7 6.574 1.638 0.336 0.818 1.000 0.833 CB 0.930 7 residues pruned to eliminate duplicates Z: 14 11.164 1.525 0.512 0.806 1.000 0.615 CB 1.028 14 residues pruned to eliminate duplicates Z: 18 22.653 1.775 0.916 0.874 0.882 0.588 CA 1.332 18 residues pruned to eliminate duplicates Z: 9 8.373 1.640 0.409 0.593 0.875 0.625 CA 1.339 9 residues pruned to eliminate duplicates Z: 21 20.428 1.763 0.418 0.893 1.000 0.700 CB 1.312 21 residues pruned to eliminate duplicates 6 1.410 1.510 0.438 0.817 1.000 1.000 CB 0.221 ? Z: 7 2.866 1.540 0.274 0.651 0.500 0.333 CB 1.037 7 residues pruned to eliminate duplicates Z: 8 2.623 1.574 0.175 0.178 0.714 0.571 C 1.107 Z: 19 13.543 1.731 0.486 0.552 0.833 0.667 CA 1.416 19 residues pruned to eliminate duplicates Z: 11 18.329 1.840 0.869 0.929 1.000 1.000 CB 1.179 11 residues pruned to eliminate duplicates Z: 15 16.514 1.759 0.657 0.893 0.929 0.857 CB 1.170 15 residues pruned to eliminate duplicates Z: 8 3.162 1.491 0.644 0.237 0.571 0.429 CB 1.158 Z: 12 11.197 1.729 0.927 0.438 0.909 0.636 CB 1.189 12 residues pruned to eliminate duplicates Z: 17 18.669 1.745 0.609 0.804 1.000 0.812 CB 1.275 15 residues pruned to eliminate duplicates Z: 6 4.612 1.697 0.482 0.292 1.000 0.400 CB 1.036 Z: 22 12.468 1.539 0.603 0.929 0.905 0.524 CB 0.853 22 residues pruned to eliminate duplicates Z: 18 12.953 1.902 0.419 0.517 0.882 0.706 CB 1.297 19 residues pruned to eliminate duplicates Z: 17 15.938 1.789 0.532 0.809 0.938 0.875 CB 1.185 17 residues pruned to eliminate duplicates Z: 7 2.533 1.236 0.633 0.287 0.667 0.333 O 0.976 Z: 6 8.344 1.858 0.607 0.599 0.800 0.800 N 1.422 6 residues pruned to eliminate duplicates Z: 11 9.163 1.677 0.849 0.477 0.900 0.700 CB 1.063 11 residues pruned to eliminate duplicates Z: 8 4.098 1.561 0.412 0.228 0.857 0.571 CA 1.126 Z: 11 14.806 1.657 0.593 0.876 1.000 0.600 CB 1.289 11 residues pruned to eliminate duplicates Z: 43 39.698 1.894 0.992 0.848 0.929 0.500 CB 1.297 43 residues pruned to eliminate duplicates Z: 6 3.312 1.266 0.832 0.414 0.800 0.600 N 0.873 Z: 71 35.475 1.997 0.767 0.464 0.914 0.486 CB 1.363 71 residues pruned to eliminate duplicates Z: 29 15.482 1.807 0.756 0.395 0.786 0.464 CB 1.311 29 residues pruned to eliminate duplicates Z: 15 23.533 1.943 0.825 0.696 1.000 0.857 CB 1.483 15 residues pruned to eliminate duplicates Z: 18 28.067 2.054 1.085 0.777 1.000 0.706 CB 1.245 18 residues pruned to eliminate duplicates Z: 10 4.789 1.528 0.359 0.390 0.778 0.556 CB 1.110 10 residues pruned to eliminate duplicates Z: 6 5.548 1.430 0.421 0.633 1.000 1.000 CB 1.077 4 residues pruned to eliminate duplicates Z: 21 25.185 1.962 0.853 0.919 0.950 0.850 CB 1.149 21 residues pruned to eliminate duplicates Z: 6 8.321 1.767 0.804 0.537 1.000 0.400 CA 1.125 6 residues pruned to eliminate duplicates Z: 14 7.639 1.652 -0.074 0.795 1.000 0.846 CB 1.070 14 residues pruned to eliminate duplicates Z: 6 5.749 1.541 0.344 0.808 1.000 0.800 CB 0.949 Z: 11 10.379 1.457 0.643 0.869 1.000 0.900 CA 1.001 12 residues pruned to eliminate duplicates Z: 41 24.809 1.847 0.630 0.512 0.950 0.500 CB 1.356 41 residues pruned to eliminate duplicates Z: 9 4.916 1.894 0.469 0.099 0.875 0.125 CB 1.192 9 residues pruned to eliminate duplicates Z: 16 17.302 1.726 0.650 0.887 1.000 0.467 CB 1.130 16 residues pruned to eliminate duplicates Z: 9 2.081 1.358 0.481 0.320 0.625 0.375 CB 0.713 Z: 13 15.174 1.788 0.444 0.931 1.000 0.917 CB 1.186 13 residues pruned to eliminate duplicates Z: 13 9.230 1.665 0.244 0.524 0.917 0.667 N 1.371 13 residues pruned to eliminate duplicates Z: 6 5.381 1.557 0.480 0.852 1.000 0.800 CB 0.772 Z: 10 15.869 1.824 0.800 0.775 0.889 0.778 CB 1.422 10 residues pruned to eliminate duplicates Z: 6 4.687 1.554 -0.023 0.761 0.800 0.600 CB 1.368 6 residues pruned to eliminate duplicates Z: 20 14.422 1.867 0.536 0.529 0.947 0.737 CB 1.184 20 residues pruned to eliminate duplicates Z: 10 5.486 1.755 0.120 0.459 0.889 0.778 CB 1.091 10 residues pruned to eliminate duplicates Z: 10 5.877 1.721 0.493 0.235 0.778 0.444 CB 1.332 Z: 15 12.447 1.578 0.731 0.857 0.929 0.571 CB 0.966 15 residues pruned to eliminate duplicates Z: 22 18.635 1.677 0.440 0.903 1.000 0.810 CB 1.200 22 residues pruned to eliminate duplicates Z: 18 16.726 1.772 0.584 0.653 0.941 0.765 CA 1.332 18 residues pruned to eliminate duplicates Z: 6 3.545 1.228 0.489 0.679 0.800 0.800 O 0.919 Z: 36 33.026 1.893 0.711 0.822 0.971 0.714 CB 1.342 34 residues pruned to eliminate duplicates Z: 7 4.771 1.619 0.233 0.517 0.833 0.500 CB 1.152 Z: 9 6.124 1.538 0.305 0.584 0.875 0.625 CB 1.136 Z: 7 5.107 1.493 0.324 0.374 1.000 0.667 N 1.207 Z: 7 2.050 1.534 0.212 0.246 0.667 0.333 CB 0.905 Z: 39 29.091 1.908 0.954 0.518 0.921 0.474 CB 1.351 39 residues pruned to eliminate duplicates Z: 23 25.346 1.808 0.790 0.910 0.955 0.545 CB 1.241 23 residues pruned to eliminate duplicates Z: 13 15.436 1.663 0.487 0.897 0.917 0.583 CB 1.407 13 residues pruned to eliminate duplicates Z: 46 25.612 1.979 0.839 0.406 0.911 0.622 CB 1.270 46 residues pruned to eliminate duplicates Z: 13 9.307 1.902 0.676 0.408 0.667 0.417 CA 1.393 13 residues pruned to eliminate duplicates Z: 8 3.806 1.478 0.331 0.209 1.000 0.286 CA 1.032 Z: 11 11.375 1.588 0.350 0.873 1.000 0.700 CB 1.222 11 residues pruned to eliminate duplicates Z: 12 14.566 1.601 0.725 0.810 0.909 0.364 CB 1.337 24 residues pruned to eliminate duplicates Z: 6 4.359 1.592 0.042 0.816 1.000 0.800 CB 0.893 6 residues pruned to eliminate duplicates Z: 31 37.820 1.816 0.977 0.910 0.933 0.433 CA 1.461 31 residues pruned to eliminate duplicates Z: 12 16.992 1.771 0.600 0.882 1.000 0.455 CB 1.308 12 residues pruned to eliminate duplicates Z: 6 4.691 1.835 0.008 0.870 1.000 1.000 CB 0.828 6 residues pruned to eliminate duplicates Z: 7 2.307 1.246 0.025 0.553 0.833 0.333 O 0.840 Z: 9 20.227 1.777 1.000 0.908 1.000 0.500 CB 1.429 9 residues pruned to eliminate duplicates Z: 20 20.522 1.741 0.896 0.922 0.947 0.632 CB 1.058 20 residues pruned to eliminate duplicates Z: 23 20.860 1.774 0.453 0.861 1.000 0.773 CA 1.267 23 residues pruned to eliminate duplicates Z: 12 13.654 1.651 0.414 0.892 0.909 0.727 CB 1.393 12 residues pruned to eliminate duplicates Z: 31 20.961 1.856 0.571 0.609 0.900 0.600 CB 1.315 31 residues pruned to eliminate duplicates Z: 29 34.025 1.805 0.958 0.866 0.929 0.679 CB 1.434 29 residues pruned to eliminate duplicates Z: 8 5.297 1.831 -0.021 0.475 0.857 0.571 CB 1.336 8 residues pruned to eliminate duplicates Z: 12 15.927 1.859 0.449 0.869 1.000 0.727 CB 1.302 12 residues pruned to eliminate duplicates Z: 13 21.369 1.926 0.676 0.926 1.000 0.917 CB 1.340 13 residues pruned to eliminate duplicates Z: 35 14.921 2.000 0.734 0.258 0.765 0.529 CB 1.273 35 residues pruned to eliminate duplicates Z: 29 29.692 1.893 1.091 0.613 0.929 0.643 CB 1.372 29 residues pruned to eliminate duplicates Z: 8 7.666 1.415 0.392 0.896 1.000 1.000 N 1.054 8 residues pruned to eliminate duplicates Z: 35 24.039 1.920 0.899 0.559 0.824 0.382 CB 1.296 35 residues pruned to eliminate duplicates Z: 23 14.066 1.568 0.382 0.784 0.864 0.773 CB 1.249 24 residues pruned to eliminate duplicates Z: 11 4.808 1.440 0.410 0.397 0.700 0.500 CB 1.193 Z: 29 27.740 1.851 0.863 0.603 1.000 0.679 CB 1.378 29 residues pruned to eliminate duplicates Z: 21 16.887 1.723 0.435 0.889 0.900 0.800 CB 1.221 21 residues pruned to eliminate duplicates Z: 19 20.023 1.826 0.631 0.737 0.889 0.667 CB 1.441 22 residues pruned to eliminate duplicates 7 1.894 1.234 0.180 0.336 0.833 0.500 CB 0.762 ? Z: 7 2.464 1.583 0.113 0.243 0.667 0.667 CB 1.153 Z: 9 9.485 1.700 0.651 0.559 0.875 0.750 CB 1.290 17 residues pruned to eliminate duplicates Z: 7 4.833 1.485 0.339 0.786 1.000 0.500 CB 0.772 6 residues pruned to eliminate duplicates Z: 11 8.917 1.422 0.430 0.820 0.900 0.700 CA 1.167 11 residues pruned to eliminate duplicates Z: 12 9.383 1.760 0.258 0.897 0.909 0.727 CB 1.006 12 residues pruned to eliminate duplicates Z: 23 24.264 1.800 0.624 0.864 0.955 0.727 CA 1.359 23 residues pruned to eliminate duplicates Z: 11 9.232 1.624 0.701 0.568 0.800 0.400 CB 1.237 11 residues pruned to eliminate duplicates Z: 12 9.691 1.545 0.461 0.830 0.909 0.818 CB 1.071 12 residues pruned to eliminate duplicates Z: 25 29.621 1.919 0.787 0.761 0.958 0.792 CB 1.460 25 residues pruned to eliminate duplicates Z: 24 26.771 2.120 1.263 0.593 0.826 0.478 CB 1.288 24 residues pruned to eliminate duplicates Z: 10 6.147 1.620 0.528 0.703 0.889 0.444 CB 0.775 10 residues pruned to eliminate duplicates Z: 6 5.049 1.527 0.404 0.861 1.000 1.000 CB 0.774 6 residues pruned to eliminate duplicates Z: 21 11.668 1.890 0.626 0.319 0.800 0.350 CB 1.296 21 residues pruned to eliminate duplicates Z: 13 17.701 1.846 0.634 0.847 0.917 0.833 CB 1.372 13 residues pruned to eliminate duplicates Z: 6 5.814 1.546 0.610 0.831 0.800 0.200 CB 0.981 7 residues pruned to eliminate duplicates Z: 12 6.213 1.568 0.670 0.388 0.727 0.545 CA 1.108 12 residues pruned to eliminate duplicates Z: 14 19.087 1.890 0.460 0.891 1.000 0.846 CA 1.379 14 residues pruned to eliminate duplicates Z: 33 22.423 1.928 0.736 0.700 0.812 0.375 CB 1.215 33 residues pruned to eliminate duplicates Z: 7 2.314 1.577 0.312 0.506 0.667 0.500 CB 0.681 Z: 30 28.233 1.938 0.626 0.669 0.931 0.793 CA 1.527 Z: 58 56.654 2.100 1.201 0.771 0.947 0.561 CB 1.348 57 residues pruned to eliminate duplicates Z: 12 5.938 1.552 0.686 0.267 0.818 0.273 CB 1.090 7 1.947 1.476 0.208 0.155 0.833 0.500 CB 0.816 ? Z: 7 7.290 1.304 1.200 0.835 0.833 0.667 N 0.932 7 residues pruned to eliminate duplicates Z: 35 25.315 1.979 0.788 0.615 0.912 0.647 CB 1.207 35 residues pruned to eliminate duplicates Z: 6 6.333 1.694 0.080 0.845 1.000 1.000 CA 1.151 Z: 7 7.326 1.697 0.726 0.779 0.667 0.667 CB 1.197 7 residues pruned to eliminate duplicates Z: 16 15.071 2.023 0.625 0.337 0.867 0.533 CA 1.632 16 residues pruned to eliminate duplicates Z: 23 19.436 2.012 0.747 0.512 0.909 0.682 CB 1.282 23 residues pruned to eliminate duplicates Z: 27 24.917 1.839 0.575 0.721 0.962 0.846 CA 1.437 27 residues pruned to eliminate duplicates 6 1.964 1.621 -0.169 0.573 0.800 0.800 CB 0.760 ? Z: 18 16.333 2.051 0.992 0.430 0.824 0.588 CB 1.266 18 residues pruned to eliminate duplicates Z: 7 9.514 1.869 0.490 0.855 0.833 0.667 CA 1.235 7 residues pruned to eliminate duplicates Z: 9 20.361 2.000 0.734 0.894 1.000 0.750 CA 1.488 9 residues pruned to eliminate duplicates Z: 41 31.626 1.733 0.888 0.848 0.875 0.400 CB 1.296 41 residues pruned to eliminate duplicates Z: 21 11.032 1.840 0.582 0.452 0.650 0.450 CB 1.370 21 residues pruned to eliminate duplicates Z: 27 10.625 1.716 0.460 0.411 0.846 0.423 CB 1.079 21 residues pruned to eliminate duplicates Z: 14 11.752 1.692 0.119 0.924 1.000 0.846 CB 1.208 14 residues pruned to eliminate duplicates Z: 12 15.196 1.846 0.473 0.897 1.000 0.909 CB 1.207 12 residues pruned to eliminate duplicates Z: 7 3.328 1.484 0.057 0.411 0.833 0.500 O 1.141 Z: 7 3.510 1.573 0.392 0.325 0.833 0.333 CB 0.952 6 1.546 1.318 0.002 0.295 0.800 0.600 O 0.823 ? Z: 29 32.822 1.896 1.057 0.940 0.929 0.714 CB 1.189 29 residues pruned to eliminate duplicates Z: 24 18.979 1.758 0.726 0.660 0.913 0.652 CB 1.232 24 residues pruned to eliminate duplicates Z: 26 32.102 1.908 1.013 0.637 1.000 0.720 CB 1.470 27 residues pruned to eliminate duplicates Z: 7 5.472 1.193 0.832 0.761 1.000 0.667 N 0.810 Z: 6 2.948 1.527 0.323 0.495 0.800 0.600 CB 0.820 6 residues pruned to eliminate duplicates Z: 13 16.641 1.817 0.765 0.873 0.917 0.750 CB 1.190 27 residues pruned to eliminate duplicates Z: 11 11.326 1.954 0.682 0.695 0.900 0.400 CB 1.014 11 residues pruned to eliminate duplicates Z: 15 12.139 1.643 0.544 0.662 0.929 0.714 CB 1.185 15 residues pruned to eliminate duplicates Z: 8 3.524 1.559 0.490 0.401 0.857 0.429 CB 0.743 Z: 11 11.410 1.519 0.647 0.828 0.900 0.300 CB 1.206 11 residues pruned to eliminate duplicates Z: 29 23.666 1.781 0.887 0.688 0.893 0.500 CB 1.254 29 residues pruned to eliminate duplicates Z: 6 3.944 1.278 0.033 0.839 1.000 1.000 CA 0.997 Z: 12 14.837 1.820 0.891 0.873 0.909 0.545 CB 1.041 12 residues pruned to eliminate duplicates Z: 21 34.860 1.920 0.933 0.912 1.000 0.800 CA 1.488 21 residues pruned to eliminate duplicates Z: 9 2.487 1.417 0.094 0.272 0.750 0.500 CA 0.980 Z: 10 16.209 1.955 0.746 0.676 0.889 0.333 CB 1.515 10 residues pruned to eliminate duplicates Z: 7 6.463 1.854 0.432 0.508 0.667 0.500 CA 1.479 7 residues pruned to eliminate duplicates Z: 10 13.173 1.801 0.709 0.884 0.778 0.444 CB 1.326 10 residues pruned to eliminate duplicates 1220 residues left after pruning, divided into chains as follows: A: 29 B: 15 C: 43 D: 7 E: 7 F: 22 G: 10 H: 6 I: 43 J: 103 K: 10 L: 8 M: 10 N: 30 O: 15 P: 7 Q: 12 R: 14 S: 89 T: 11 U: 116 V: 38 W: 14 X: 8 Y: 11 Z: 52 Z: 36 Z: 9 Z: 13 Z: 37 Z: 60 Z: 6 Z: 30 Z: 118 Z: 33 Z: 72 Z: 61 Z: 15 Residues blocked in groups of 3 to fit allocated memory (-u) CC for partial structure against native data = 34.97 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.473, Connect. = 0.736 for dens.mod. cycle 1 = 0.300, Contrast = 0.543, Connect. = 0.755 for dens.mod. cycle 2 = 0.300, Contrast = 0.650, Connect. = 0.782 for dens.mod. cycle 3 = 0.300, Contrast = 0.659, Connect. = 0.783 for dens.mod. cycle 4 = 0.300, Contrast = 0.668, Connect. = 0.783 for dens.mod. cycle 5 = 0.300, Contrast = 0.672, Connect. = 0.784 for dens.mod. cycle 6 = 0.300, Contrast = 0.677, Connect. = 0.785 for dens.mod. cycle 7 = 0.300, Contrast = 0.679, Connect. = 0.786 for dens.mod. cycle 8 = 0.300, Contrast = 0.681, Connect. = 0.787 for dens.mod. cycle 9 = 0.300, Contrast = 0.682, Connect. = 0.788 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 7033 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1691 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 30.351 2.153 0.785 0.886 1.000 0.846 CA 1.580 B: 12 33.209 2.387 0.739 0.894 1.000 0.818 CA 1.730 C: 11 21.489 2.197 0.300 0.823 1.000 0.600 CB 1.798 D: 12 30.200 2.381 0.566 0.913 1.000 0.909 CA 1.728 12 residues pruned to eliminate duplicates E: 11 32.437 2.451 0.770 0.921 1.000 1.000 CA 1.664 11 residues pruned to eliminate duplicates F: 32 47.284 2.162 0.694 0.939 1.000 0.839 CA 1.612 G: 30 45.603 2.021 0.915 0.929 1.000 0.862 CB 1.531 H: 11 29.235 2.263 0.634 0.868 1.000 0.800 CB 1.828 11 residues pruned to eliminate duplicates I: 13 34.062 2.223 0.955 0.888 1.000 0.917 CA 1.629 13 residues pruned to eliminate duplicates J: 13 30.242 2.224 0.924 0.873 0.917 0.917 CA 1.620 13 residues pruned to eliminate duplicates K: 13 25.603 2.234 0.724 0.894 1.000 0.833 CA 1.376 13 residues pruned to eliminate duplicates L: 10 28.634 2.485 0.543 0.857 1.000 0.889 CA 1.834 10 residues pruned to eliminate duplicates M: 25 40.327 2.126 0.748 0.910 1.000 0.917 CA 1.571 N: 32 42.900 2.138 0.572 0.931 1.000 0.871 CA 1.603 32 residues pruned to eliminate duplicates O: 12 33.087 2.430 0.828 0.912 1.000 0.909 CA 1.591 13 residues pruned to eliminate duplicates P: 10 29.762 2.436 0.708 0.868 1.000 1.000 CB 1.744 11 residues pruned to eliminate duplicates Q: 29 47.029 2.159 0.853 0.925 0.964 0.929 CA 1.617 25 residues pruned to eliminate duplicates R: 29 38.910 2.047 0.747 0.907 1.000 0.857 CB 1.461 29 residues pruned to eliminate duplicates S: 24 42.121 2.102 1.037 0.890 0.957 0.783 CB 1.543 24 residues pruned to eliminate duplicates T: 14 29.567 2.163 0.774 0.845 1.000 0.769 CB 1.590 14 residues pruned to eliminate duplicates U: 14 24.312 2.018 0.768 0.769 1.000 0.615 CB 1.489 V: 21 18.088 2.099 0.380 0.539 0.900 0.550 CB 1.493 W: 13 25.164 2.147 0.785 0.871 1.000 0.583 CB 1.383 X: 8 23.014 2.293 0.478 0.910 1.000 0.857 CB 1.821 Y: 10 25.889 2.416 0.420 0.846 1.000 0.889 CB 1.868 10 residues pruned to eliminate duplicates Z: 11 24.581 2.350 0.545 0.855 1.000 0.800 CA 1.580 11 residues pruned to eliminate duplicates Z: 14 39.244 2.158 1.433 0.900 1.000 0.769 CB 1.481 13 residues pruned to eliminate duplicates Z: 13 38.478 2.261 1.130 0.904 1.000 0.917 CA 1.642 12 residues pruned to eliminate duplicates Z: 11 24.722 2.390 0.381 0.895 1.000 0.800 CA 1.698 11 residues pruned to eliminate duplicates Z: 13 24.783 2.162 0.660 0.873 0.917 0.750 CA 1.584 13 residues pruned to eliminate duplicates Z: 12 21.967 2.078 0.421 0.864 1.000 0.909 CA 1.645 12 residues pruned to eliminate duplicates Z: 32 51.142 2.175 0.832 0.939 1.000 0.839 CA 1.602 32 residues pruned to eliminate duplicates Z: 9 16.201 1.910 0.761 0.679 1.000 0.625 CB 1.444 Z: 8 13.710 1.840 0.788 0.775 0.857 0.571 CB 1.441 8 residues pruned to eliminate duplicates Z: 11 17.317 2.170 0.150 0.827 1.000 0.800 CB 1.653 11 residues pruned to eliminate duplicates Z: 15 23.359 2.080 0.739 0.785 0.929 0.714 CB 1.446 13 residues pruned to eliminate duplicates Z: 7 11.840 1.681 0.959 0.851 1.000 0.833 CA 1.087 Z: 8 13.398 1.912 0.791 0.852 1.000 0.857 CA 1.094 Z: 11 13.086 1.892 0.707 0.638 0.800 0.500 CB 1.408 Z: 11 28.552 2.269 0.577 0.866 1.000 0.900 CB 1.846 13 residues pruned to eliminate duplicates Z: 32 48.366 2.180 0.798 0.919 0.968 0.871 CB 1.615 32 residues pruned to eliminate duplicates Z: 15 20.892 1.978 0.516 0.852 0.929 0.643 CB 1.483 Z: 11 13.337 1.848 0.655 0.832 0.900 0.800 CB 1.151 11 residues pruned to eliminate duplicates Z: 12 34.091 2.261 1.099 0.929 1.000 1.000 CB 1.516 Z: 30 49.714 2.130 0.935 0.925 0.966 0.862 CA 1.629 28 residues pruned to eliminate duplicates Z: 9 23.578 2.112 0.740 0.832 1.000 0.875 CB 1.702 11 residues pruned to eliminate duplicates Z: 12 27.881 2.037 0.753 0.865 1.000 0.818 CA 1.725 16 residues pruned to eliminate duplicates Z: 13 29.608 2.175 0.746 0.895 1.000 0.833 CA 1.613 Z: 44 54.503 2.157 0.924 0.862 0.953 0.419 CB 1.542 47 residues pruned to eliminate duplicates Z: 21 28.152 2.001 0.881 0.832 0.900 0.550 CB 1.395 22 residues pruned to eliminate duplicates Z: 22 25.061 1.910 0.854 0.797 0.857 0.714 CB 1.390 22 residues pruned to eliminate duplicates Z: 19 29.098 2.178 0.741 0.902 0.833 0.500 CB 1.548 20 residues pruned to eliminate duplicates Z: 12 26.543 2.252 0.548 0.854 1.000 0.909 CA 1.695 12 residues pruned to eliminate duplicates Z: 51 30.933 2.182 0.598 0.408 0.880 0.440 CB 1.570 16 residues pruned to eliminate duplicates Z: 9 22.451 2.234 0.490 0.895 1.000 1.000 CB 1.709 9 residues pruned to eliminate duplicates Z: 9 16.177 1.951 0.790 0.888 1.000 0.875 CA 1.180 Z: 17 21.125 1.946 0.351 0.876 0.938 0.750 CA 1.558 Z: 13 25.038 2.178 0.496 0.841 1.000 0.833 CA 1.654 13 residues pruned to eliminate duplicates Z: 32 31.169 2.036 0.610 0.908 0.839 0.677 CB 1.446 32 residues pruned to eliminate duplicates Z: 31 44.356 2.215 0.535 0.944 1.000 0.900 CA 1.649 31 residues pruned to eliminate duplicates Z: 14 27.875 2.024 0.882 0.850 0.923 0.615 N 1.628 14 residues pruned to eliminate duplicates Z: 31 28.594 1.914 0.682 0.780 0.867 0.567 CB 1.463 18 residues pruned to eliminate duplicates Z: 27 31.629 1.940 0.556 0.906 1.000 0.808 CA 1.462 Z: 100 70.392 2.267 0.987 0.586 0.889 0.636 CB 1.627 64 residues pruned to eliminate duplicates Z: 17 25.379 1.950 0.617 0.925 0.938 0.688 CA 1.507 Z: 16 33.669 2.105 0.809 0.930 1.000 0.800 CB 1.596 17 residues pruned to eliminate duplicates Z: 15 24.620 2.020 0.701 0.881 1.000 0.643 CB 1.387 15 residues pruned to eliminate duplicates Z: 17 27.719 2.075 0.645 0.923 0.938 0.812 CA 1.521 Z: 16 24.455 1.996 0.501 0.883 1.000 0.800 CA 1.524 16 residues pruned to eliminate duplicates Z: 8 19.041 2.043 1.228 0.781 1.000 0.429 CA 1.234 Z: 12 33.603 2.300 0.893 0.917 1.000 0.909 CA 1.642 13 residues pruned to eliminate duplicates Z: 13 44.570 2.263 1.463 0.886 1.000 0.500 CB 1.665 13 residues pruned to eliminate duplicates Z: 17 24.393 2.056 0.454 0.866 1.000 0.938 CA 1.493 Z: 20 28.185 2.059 0.841 0.872 0.842 0.526 CB 1.477 20 residues pruned to eliminate duplicates Z: 8 11.760 1.874 0.446 0.795 0.857 0.714 CA 1.479 Z: 30 23.497 2.178 0.698 0.519 0.828 0.552 CB 1.399 Z: 13 22.378 1.899 0.800 0.897 0.917 0.750 CB 1.476 Z: 20 20.932 1.954 0.779 0.831 0.737 0.579 CB 1.409 20 residues pruned to eliminate duplicates Z: 13 23.898 2.116 0.847 0.875 1.000 0.750 CB 1.284 12 residues pruned to eliminate duplicates Z: 31 40.488 2.131 0.795 0.899 0.967 0.533 CB 1.429 31 residues pruned to eliminate duplicates Z: 13 29.212 2.171 0.720 0.812 1.000 1.000 CB 1.721 13 residues pruned to eliminate duplicates Z: 9 28.720 2.216 0.868 0.900 1.000 0.875 CA 1.752 8 residues pruned to eliminate duplicates Z: 29 37.617 2.047 0.632 0.938 1.000 0.929 CA 1.480 29 residues pruned to eliminate duplicates Z: 7 12.730 1.981 0.454 0.818 0.833 0.833 CB 1.643 7 residues pruned to eliminate duplicates Z: 12 7.009 1.919 0.282 0.521 0.909 0.909 CB 0.926 Z: 33 27.940 2.084 0.703 0.519 0.875 0.531 CB 1.561 21 residues pruned to eliminate duplicates Z: 14 29.273 2.174 0.855 0.841 1.000 0.692 CB 1.501 14 residues pruned to eliminate duplicates Z: 13 39.101 2.221 1.245 0.931 1.000 0.833 CA 1.583 12 residues pruned to eliminate duplicates Z: 8 9.215 2.028 0.220 0.598 0.857 0.714 CB 1.496 Z: 14 29.740 2.193 0.717 0.909 1.000 0.769 CB 1.555 14 residues pruned to eliminate duplicates Z: 12 18.876 2.045 0.272 0.855 1.000 1.000 CA 1.615 12 residues pruned to eliminate duplicates Z: 6 5.528 1.775 0.582 0.646 0.800 0.600 CA 0.960 6 residues pruned to eliminate duplicates Z: 28 51.642 2.195 0.887 0.925 1.000 0.926 CA 1.684 28 residues pruned to eliminate duplicates Z: 11 21.837 2.088 0.542 0.899 1.000 0.700 CB 1.533 12 residues pruned to eliminate duplicates Z: 9 17.340 2.038 0.595 0.845 1.000 0.875 CB 1.402 9 residues pruned to eliminate duplicates Z: 28 30.991 1.965 0.449 0.936 1.000 0.815 CA 1.459 27 residues pruned to eliminate duplicates Z: 12 24.484 1.947 0.740 0.878 1.000 0.636 CA 1.581 Z: 10 18.926 2.311 0.158 0.819 1.000 1.000 CA 1.786 10 residues pruned to eliminate duplicates Z: 8 15.890 2.255 0.141 0.910 1.000 1.000 CB 1.656 Z: 21 26.915 1.981 0.789 0.770 0.900 0.400 CB 1.486 21 residues pruned to eliminate duplicates Z: 19 37.434 2.159 0.952 0.902 0.944 0.778 CB 1.582 19 residues pruned to eliminate duplicates Z: 28 12.548 1.853 0.287 0.369 0.852 0.444 CB 1.368 Z: 23 36.917 2.129 0.791 0.899 0.909 0.591 CB 1.623 Z: 8 16.134 1.929 0.881 0.861 1.000 1.000 CA 1.235 8 residues pruned to eliminate duplicates Z: 12 21.002 1.948 0.771 0.868 0.909 0.727 CB 1.476 12 residues pruned to eliminate duplicates Z: 13 36.443 2.219 1.051 0.865 1.000 0.500 CB 1.694 13 residues pruned to eliminate duplicates Z: 8 18.108 2.217 0.772 0.892 0.857 0.714 CB 1.461 8 residues pruned to eliminate duplicates Z: 17 29.147 2.055 0.921 0.834 0.875 0.688 CA 1.581 17 residues pruned to eliminate duplicates Z: 41 25.943 2.097 0.628 0.502 0.850 0.575 CB 1.410 32 residues pruned to eliminate duplicates Z: 8 15.083 1.886 0.829 0.722 1.000 0.429 CA 1.352 7 residues pruned to eliminate duplicates Z: 31 40.803 2.183 0.665 0.908 0.967 0.900 CA 1.506 31 residues pruned to eliminate duplicates Z: 15 32.118 2.164 0.829 0.904 0.929 0.714 CA 1.664 16 residues pruned to eliminate duplicates Z: 7 33.580 2.463 1.216 0.902 1.000 0.833 CB 1.792 7 residues pruned to eliminate duplicates Z: 24 34.090 2.052 0.569 0.932 1.000 0.913 CA 1.542 24 residues pruned to eliminate duplicates Z: 17 28.796 2.037 0.707 0.879 1.000 0.875 CB 1.502 17 residues pruned to eliminate duplicates Z: 19 16.608 2.014 0.826 0.522 0.778 0.444 CB 1.339 5 residues pruned to eliminate duplicates Z: 8 18.158 2.090 0.653 0.856 1.000 0.857 CA 1.465 8 residues pruned to eliminate duplicates Z: 29 47.223 2.068 0.929 0.949 1.000 0.786 CA 1.544 30 residues pruned to eliminate duplicates Z: 32 48.184 2.184 0.689 0.926 1.000 0.871 CA 1.645 32 residues pruned to eliminate duplicates Z: 7 18.737 2.166 0.421 0.833 1.000 0.833 CB 1.865 7 residues pruned to eliminate duplicates Z: 8 18.240 1.987 0.507 0.861 1.000 0.857 CB 1.691 8 residues pruned to eliminate duplicates Z: 32 52.733 2.196 0.777 0.947 1.000 0.935 CA 1.677 32 residues pruned to eliminate duplicates Z: 10 18.482 1.956 0.969 0.824 0.889 0.667 CB 1.360 11 residues pruned to eliminate duplicates Z: 27 46.647 2.134 1.226 0.925 0.885 0.500 CB 1.528 27 residues pruned to eliminate duplicates Z: 12 22.436 2.131 0.617 0.863 0.909 0.909 CA 1.584 10 residues pruned to eliminate duplicates Z: 11 32.808 2.214 0.995 0.838 1.000 0.800 CB 1.755 12 residues pruned to eliminate duplicates Z: 27 55.821 2.223 1.096 0.939 1.000 0.885 CA 1.633 27 residues pruned to eliminate duplicates Z: 81 55.798 2.239 0.768 0.561 0.913 0.575 CB 1.628 88 residues pruned to eliminate duplicates Z: 18 23.344 1.855 0.619 0.837 0.941 0.647 CB 1.498 17 residues pruned to eliminate duplicates Z: 9 11.544 1.973 0.239 0.765 0.875 0.750 CB 1.508 9 residues pruned to eliminate duplicates Z: 9 10.931 1.703 0.574 0.689 0.875 0.750 CA 1.387 Z: 32 51.146 2.187 0.802 0.950 1.000 0.774 CB 1.608 32 residues pruned to eliminate duplicates Z: 14 23.874 2.032 0.603 0.892 1.000 0.769 CA 1.460 14 residues pruned to eliminate duplicates Z: 14 26.371 1.959 0.794 0.857 0.923 0.692 CB 1.661 14 residues pruned to eliminate duplicates Z: 16 26.405 2.093 0.567 0.862 1.000 0.800 CA 1.527 16 residues pruned to eliminate duplicates Z: 32 47.365 2.168 0.969 0.918 0.935 0.613 CB 1.502 32 residues pruned to eliminate duplicates Z: 16 26.524 2.147 0.555 0.849 0.933 0.667 CA 1.629 16 residues pruned to eliminate duplicates Z: 10 15.814 1.781 0.648 0.804 0.889 0.667 O 1.549 10 residues pruned to eliminate duplicates Z: 12 24.775 1.999 0.767 0.872 0.909 0.545 CA 1.696 11 residues pruned to eliminate duplicates Z: 55 26.525 2.093 0.587 0.411 0.852 0.574 CB 1.400 23 residues pruned to eliminate duplicates Z: 13 50.946 2.261 1.544 0.898 1.000 0.417 CB 1.829 13 residues pruned to eliminate duplicates Z: 15 24.083 2.089 0.501 0.895 0.929 0.786 CB 1.585 15 residues pruned to eliminate duplicates Z: 9 17.074 1.810 0.630 0.860 1.000 0.750 CA 1.504 10 residues pruned to eliminate duplicates Z: 29 57.088 2.156 1.378 0.941 0.964 0.536 CB 1.514 29 residues pruned to eliminate duplicates Z: 10 17.401 1.904 0.727 0.739 1.000 0.667 CB 1.423 10 residues pruned to eliminate duplicates Z: 23 29.821 1.978 0.619 0.917 0.909 0.591 CB 1.542 23 residues pruned to eliminate duplicates Z: 22 43.007 2.343 1.239 0.661 0.905 0.619 CB 1.703 22 residues pruned to eliminate duplicates Z: 12 25.405 2.176 0.673 0.929 1.000 0.909 CA 1.472 12 residues pruned to eliminate duplicates Z: 10 17.220 1.909 0.930 0.913 0.889 0.556 CA 1.240 8 residues pruned to eliminate duplicates Z: 16 30.194 2.102 0.752 0.872 1.000 0.867 CA 1.544 16 residues pruned to eliminate duplicates Z: 16 34.262 2.163 1.033 0.821 0.933 0.733 CB 1.632 15 residues pruned to eliminate duplicates Z: 29 49.324 2.258 0.867 0.912 0.964 0.714 CA 1.625 29 residues pruned to eliminate duplicates Z: 12 28.275 2.223 0.711 0.908 0.909 0.636 CB 1.751 12 residues pruned to eliminate duplicates Z: 29 50.780 2.104 1.095 0.894 1.000 0.821 CA 1.562 29 residues pruned to eliminate duplicates Z: 30 30.165 2.216 0.776 0.539 0.931 0.621 CB 1.471 30 residues pruned to eliminate duplicates Z: 8 16.047 2.022 0.295 0.783 1.000 0.857 O 1.805 8 residues pruned to eliminate duplicates Z: 28 50.331 2.214 0.856 0.937 0.963 0.815 CB 1.702 28 residues pruned to eliminate duplicates Z: 16 30.774 2.104 0.877 0.852 0.933 0.933 CA 1.595 16 residues pruned to eliminate duplicates Z: 11 18.953 2.056 0.521 0.877 0.900 0.600 CA 1.547 11 residues pruned to eliminate duplicates Z: 15 32.959 2.102 0.818 0.928 1.000 1.000 CB 1.615 15 residues pruned to eliminate duplicates Z: 43 29.884 2.217 0.480 0.438 0.905 0.500 CB 1.657 43 residues pruned to eliminate duplicates Z: 13 33.106 2.029 1.301 0.916 1.000 0.667 CA 1.445 13 residues pruned to eliminate duplicates Z: 25 33.978 1.980 0.851 0.884 0.875 0.583 CB 1.562 25 residues pruned to eliminate duplicates Z: 29 57.157 2.171 1.097 0.935 1.000 0.786 CA 1.654 29 residues pruned to eliminate duplicates Z: 25 38.041 2.007 0.768 0.905 0.958 0.875 CA 1.624 24 residues pruned to eliminate duplicates Z: 14 21.825 1.997 0.443 0.910 1.000 0.923 CB 1.489 14 residues pruned to eliminate duplicates Z: 7 6.480 1.529 0.321 0.771 0.833 0.500 O 1.237 Z: 72 35.712 1.987 0.660 0.542 0.972 0.634 CB 1.269 7 residues pruned to eliminate duplicates Z: 9 11.993 1.626 0.642 0.813 1.000 0.750 CB 1.210 9 residues pruned to eliminate duplicates Z: 69 30.412 2.001 0.580 0.496 0.912 0.618 CB 1.285 70 residues pruned to eliminate duplicates Z: 8 15.899 2.204 0.249 0.872 1.000 0.857 CB 1.591 8 residues pruned to eliminate duplicates Z: 13 22.688 2.084 0.717 0.857 0.833 0.750 CB 1.619 13 residues pruned to eliminate duplicates Z: 66 37.815 2.220 0.890 0.440 0.815 0.554 CB 1.458 70 residues pruned to eliminate duplicates Z: 8 13.732 1.963 0.556 0.771 0.857 0.714 CB 1.559 8 residues pruned to eliminate duplicates Z: 29 32.316 1.911 0.536 0.933 1.000 0.857 CA 1.452 29 residues pruned to eliminate duplicates Z: 31 52.634 2.255 0.768 0.945 1.000 0.900 CA 1.667 31 residues pruned to eliminate duplicates Z: 8 15.372 2.128 0.159 0.876 1.000 0.857 CB 1.712 11 residues pruned to eliminate duplicates Z: 24 35.301 2.009 0.792 0.924 0.913 0.565 CB 1.572 24 residues pruned to eliminate duplicates Z: 17 21.995 1.916 0.715 0.866 0.938 0.375 CB 1.307 17 residues pruned to eliminate duplicates Z: 29 50.004 2.177 1.008 0.933 0.929 0.821 CB 1.625 29 residues pruned to eliminate duplicates Z: 10 27.894 2.219 1.002 0.932 1.000 0.778 CB 1.461 10 residues pruned to eliminate duplicates Z: 7 16.592 2.080 0.564 0.817 1.000 0.833 CA 1.581 7 residues pruned to eliminate duplicates Z: 97 56.402 2.160 0.729 0.577 0.906 0.635 CB 1.579 85 residues pruned to eliminate duplicates Z: 13 33.280 2.231 1.024 0.880 1.000 0.500 CB 1.541 13 residues pruned to eliminate duplicates Z: 12 33.202 2.117 1.403 0.893 0.909 0.636 CA 1.554 12 residues pruned to eliminate duplicates Z: 17 21.390 1.892 0.433 0.929 1.000 0.938 CA 1.380 16 residues pruned to eliminate duplicates Z: 12 15.587 1.879 0.195 0.905 1.000 0.909 CB 1.489 12 residues pruned to eliminate duplicates Z: 31 48.015 2.248 0.784 0.941 0.967 0.633 CB 1.570 31 residues pruned to eliminate duplicates Z: 29 45.969 2.045 1.055 0.957 0.964 0.750 CB 1.471 29 residues pruned to eliminate duplicates Z: 32 50.525 2.170 0.788 0.928 1.000 0.903 CA 1.638 32 residues pruned to eliminate duplicates Z: 16 29.960 2.076 0.657 0.911 1.000 0.733 CB 1.594 16 residues pruned to eliminate duplicates Z: 6 5.090 1.605 0.080 0.794 0.800 0.800 N 1.269 Z: 8 20.308 2.122 0.490 0.902 1.000 1.000 CB 1.731 8 residues pruned to eliminate duplicates Z: 25 37.963 2.056 0.804 0.893 0.917 0.708 CB 1.636 24 residues pruned to eliminate duplicates Z: 32 47.621 2.192 0.671 0.937 1.000 0.871 CA 1.626 32 residues pruned to eliminate duplicates Z: 8 13.787 1.872 0.617 0.835 0.857 0.857 CB 1.504 9 residues pruned to eliminate duplicates Z: 19 35.795 1.960 1.014 0.902 1.000 0.556 CB 1.524 19 residues pruned to eliminate duplicates Z: 60 38.317 2.198 0.720 0.457 0.915 0.525 CB 1.506 60 residues pruned to eliminate duplicates Z: 31 46.405 2.235 0.680 0.904 0.967 0.900 CA 1.663 31 residues pruned to eliminate duplicates Z: 13 26.585 2.134 0.561 0.913 1.000 1.000 CA 1.631 13 residues pruned to eliminate duplicates Z: 24 31.398 1.957 0.569 0.899 1.000 0.826 CB 1.525 24 residues pruned to eliminate duplicates Z: 15 30.062 2.092 0.724 0.899 1.000 0.857 CA 1.593 15 residues pruned to eliminate duplicates Z: 13 10.421 1.786 0.426 0.454 1.000 0.500 CB 1.238 Z: 29 57.379 2.189 1.139 0.937 1.000 0.679 CB 1.613 29 residues pruned to eliminate duplicates Z: 14 17.705 1.957 0.692 0.908 0.923 0.615 CB 1.141 14 residues pruned to eliminate duplicates Z: 13 12.612 1.954 -0.051 0.866 1.000 0.833 CB 1.438 13 residues pruned to eliminate duplicates Z: 15 21.772 1.922 0.638 0.912 1.000 0.929 CB 1.309 15 residues pruned to eliminate duplicates Z: 12 35.193 2.256 1.256 0.910 1.000 0.727 CA 1.479 13 residues pruned to eliminate duplicates Z: 17 10.701 1.704 0.187 0.727 0.875 0.812 CB 1.232 17 residues pruned to eliminate duplicates Z: 28 43.398 2.038 1.094 0.924 0.926 0.741 CB 1.484 24 residues pruned to eliminate duplicates Z: 14 24.956 2.032 0.633 0.895 1.000 0.769 CB 1.495 14 residues pruned to eliminate duplicates Z: 12 30.008 2.182 0.619 0.921 1.000 0.727 CB 1.803 12 residues pruned to eliminate duplicates Z: 17 26.643 2.073 0.445 0.923 1.000 1.000 CA 1.562 17 residues pruned to eliminate duplicates Z: 32 21.337 2.024 0.582 0.521 0.806 0.581 CB 1.454 28 residues pruned to eliminate duplicates Z: 15 20.971 1.963 0.623 0.855 0.857 0.643 CA 1.515 15 residues pruned to eliminate duplicates Z: 12 21.431 1.961 0.698 0.875 0.909 0.636 CB 1.552 12 residues pruned to eliminate duplicates Z: 7 12.794 2.249 0.022 0.891 1.000 0.667 CB 1.633 7 residues pruned to eliminate duplicates Z: 29 44.133 2.068 0.833 0.930 1.000 0.857 CA 1.538 29 residues pruned to eliminate duplicates Z: 12 36.241 2.302 1.386 0.899 1.000 0.727 CB 1.422 12 residues pruned to eliminate duplicates Z: 10 15.017 2.020 0.491 0.823 1.000 0.667 CA 1.257 Z: 15 19.733 1.901 0.390 0.823 1.000 0.714 CA 1.508 Z: 10 18.364 1.993 0.545 0.915 1.000 0.778 CA 1.405 10 residues pruned to eliminate duplicates Z: 24 33.649 2.033 0.571 0.918 0.957 0.783 CA 1.619 24 residues pruned to eliminate duplicates Z: 13 21.551 2.046 0.675 0.897 0.917 0.917 CB 1.417 13 residues pruned to eliminate duplicates Z: 8 10.263 1.961 0.383 0.573 0.857 0.714 CB 1.556 8 residues pruned to eliminate duplicates Z: 23 28.896 2.104 0.389 0.919 0.909 0.818 CA 1.634 23 residues pruned to eliminate duplicates Z: 10 17.109 1.870 0.701 0.811 1.000 0.556 CB 1.367 10 residues pruned to eliminate duplicates Z: 8 11.848 2.058 0.141 0.688 1.000 1.000 CB 1.605 8 residues pruned to eliminate duplicates Z: 9 10.520 1.973 0.432 0.622 0.875 0.750 CB 1.341 10 residues pruned to eliminate duplicates Z: 67 33.722 2.027 0.714 0.536 0.939 0.576 CB 1.227 67 residues pruned to eliminate duplicates Z: 11 20.538 1.849 0.662 0.821 1.000 0.500 CB 1.599 11 residues pruned to eliminate duplicates Z: 24 32.322 2.001 0.782 0.883 0.913 0.435 CB 1.497 24 residues pruned to eliminate duplicates Z: 13 23.289 1.942 1.227 0.771 0.917 0.417 CA 1.334 13 residues pruned to eliminate duplicates Z: 17 29.775 1.973 0.791 0.929 1.000 0.688 CB 1.474 17 residues pruned to eliminate duplicates Z: 16 18.167 2.116 0.679 0.543 0.800 0.533 CB 1.583 16 residues pruned to eliminate duplicates Z: 16 23.395 2.047 0.445 0.882 1.000 0.867 CA 1.478 16 residues pruned to eliminate duplicates Z: 15 25.507 1.940 0.729 0.864 1.000 0.643 CA 1.490 14 residues pruned to eliminate duplicates Z: 38 20.595 1.856 0.474 0.499 0.946 0.568 CB 1.310 25 residues pruned to eliminate duplicates Z: 9 12.423 1.975 0.300 0.770 0.875 0.750 CA 1.539 9 residues pruned to eliminate duplicates Z: 9 8.197 2.019 0.130 0.486 0.875 0.750 CB 1.472 9 residues pruned to eliminate duplicates 6 0.967 1.732 -0.127 0.483 0.800 0.600 CB 0.363 ? Z: 13 11.808 1.601 0.711 0.651 0.833 0.667 CB 1.298 8 residues pruned to eliminate duplicates Z: 24 27.227 2.014 0.315 0.925 0.957 0.913 CA 1.573 24 residues pruned to eliminate duplicates Z: 9 16.837 2.129 0.766 0.775 1.000 0.500 CA 1.241 9 residues pruned to eliminate duplicates Z: 24 35.189 2.062 0.671 0.908 0.957 0.957 CA 1.582 24 residues pruned to eliminate duplicates Z: 16 19.233 1.823 0.347 0.886 1.000 0.867 CA 1.459 15 residues pruned to eliminate duplicates Z: 24 26.018 1.935 0.367 0.900 0.957 0.913 CA 1.532 24 residues pruned to eliminate duplicates Z: 12 29.642 2.252 0.588 0.920 1.000 0.727 CA 1.760 12 residues pruned to eliminate duplicates Z: 13 42.687 2.190 1.577 0.916 0.917 0.500 CA 1.682 13 residues pruned to eliminate duplicates Z: 28 35.312 1.961 0.692 0.905 0.926 0.593 CA 1.575 28 residues pruned to eliminate duplicates Z: 10 11.514 1.929 0.455 0.863 0.778 0.778 CA 1.290 10 residues pruned to eliminate duplicates Z: 10 22.933 2.163 0.534 0.843 1.000 0.778 CA 1.716 10 residues pruned to eliminate duplicates Z: 31 26.324 1.964 0.615 0.609 0.933 0.600 CB 1.465 26 residues pruned to eliminate duplicates Z: 30 44.653 2.016 0.983 0.890 1.000 0.828 CB 1.492 30 residues pruned to eliminate duplicates Z: 15 21.072 2.021 0.801 0.830 0.929 0.786 CB 1.252 15 residues pruned to eliminate duplicates Z: 20 9.844 1.861 0.408 0.291 0.842 0.316 CB 1.294 Z: 32 30.749 2.054 0.637 0.604 1.000 0.645 CB 1.487 21 residues pruned to eliminate duplicates Z: 29 30.786 2.048 0.705 0.603 0.964 0.679 CB 1.566 34 residues pruned to eliminate duplicates Z: 14 18.011 1.857 0.452 0.890 0.846 0.769 CB 1.574 Z: 16 21.341 1.872 0.494 0.869 1.000 0.667 CB 1.438 16 residues pruned to eliminate duplicates Z: 25 45.714 2.079 0.991 0.920 1.000 0.792 CB 1.588 25 residues pruned to eliminate duplicates Z: 17 24.217 2.081 0.444 0.841 1.000 0.750 CA 1.503 17 residues pruned to eliminate duplicates Z: 9 20.658 2.070 0.581 0.871 1.000 1.000 CA 1.628 9 residues pruned to eliminate duplicates Z: 21 40.295 2.060 1.079 0.855 1.000 0.800 CB 1.553 21 residues pruned to eliminate duplicates Z: 16 21.253 1.856 0.702 0.797 0.867 0.400 CB 1.546 16 residues pruned to eliminate duplicates Z: 17 23.686 1.895 0.570 0.890 1.000 0.750 CA 1.432 16 residues pruned to eliminate duplicates Z: 13 27.182 1.912 0.864 0.894 1.000 0.750 CB 1.580 12 residues pruned to eliminate duplicates Z: 9 12.706 1.799 0.411 0.830 0.875 0.625 CB 1.521 9 residues pruned to eliminate duplicates Z: 30 37.818 2.054 0.897 0.945 0.966 0.517 CB 1.292 30 residues pruned to eliminate duplicates Z: 17 31.000 2.062 0.785 0.888 1.000 0.875 CA 1.517 17 residues pruned to eliminate duplicates Z: 16 19.961 1.705 0.763 0.878 1.000 0.733 CB 1.244 16 residues pruned to eliminate duplicates Z: 17 22.919 1.880 0.610 0.826 1.000 0.812 CB 1.428 17 residues pruned to eliminate duplicates Z: 28 44.154 2.132 0.895 0.935 1.000 0.630 CB 1.466 28 residues pruned to eliminate duplicates Z: 12 17.817 1.971 0.349 0.924 1.000 0.909 CA 1.419 12 residues pruned to eliminate duplicates Z: 10 12.408 1.939 0.164 0.865 1.000 0.889 CB 1.343 10 residues pruned to eliminate duplicates Z: 57 30.446 1.962 0.696 0.537 0.911 0.589 CB 1.294 57 residues pruned to eliminate duplicates Z: 6 3.895 1.683 0.839 0.438 0.800 0.800 N 0.750 Z: 29 50.146 2.138 1.175 0.896 0.893 0.679 CB 1.635 29 residues pruned to eliminate duplicates Z: 61 40.159 2.185 0.820 0.476 0.900 0.533 CB 1.484 61 residues pruned to eliminate duplicates Z: 8 11.463 2.040 0.516 0.526 1.000 0.571 CB 1.366 26 residues pruned to eliminate duplicates Z: 27 31.865 2.004 0.529 0.939 0.962 0.846 CA 1.475 27 residues pruned to eliminate duplicates Z: 12 9.413 1.866 0.265 0.413 1.000 0.545 CB 1.317 12 residues pruned to eliminate duplicates Z: 13 6.645 1.705 0.380 0.398 0.750 0.417 CB 1.211 13 residues pruned to eliminate duplicates Z: 17 22.676 2.074 0.328 0.912 0.938 0.875 CA 1.556 17 residues pruned to eliminate duplicates Z: 8 14.478 1.938 0.846 0.833 1.000 0.714 CA 1.147 8 residues pruned to eliminate duplicates Z: 13 17.669 1.872 0.457 0.923 1.000 1.000 CB 1.314 Z: 18 23.305 1.909 0.495 0.866 0.941 0.824 CB 1.540 18 residues pruned to eliminate duplicates Z: 9 25.182 2.090 1.285 0.884 1.000 0.500 CB 1.347 9 residues pruned to eliminate duplicates Z: 16 26.822 2.051 0.684 0.903 0.933 0.800 CA 1.531 16 residues pruned to eliminate duplicates Z: 14 37.035 2.212 1.200 0.897 1.000 0.692 CB 1.511 14 residues pruned to eliminate duplicates Z: 40 27.426 2.143 0.580 0.497 0.872 0.513 CB 1.493 40 residues pruned to eliminate duplicates Z: 17 24.962 2.016 0.512 0.834 1.000 0.812 CA 1.534 17 residues pruned to eliminate duplicates Z: 24 35.068 1.927 0.788 0.913 1.000 0.913 CB 1.502 23 residues pruned to eliminate duplicates Z: 18 17.979 1.861 0.398 0.826 0.882 0.824 CB 1.432 18 residues pruned to eliminate duplicates Z: 31 59.984 2.228 1.107 0.950 1.000 0.533 CB 1.609 31 residues pruned to eliminate duplicates Z: 7 19.621 2.059 0.574 0.903 1.000 1.000 CB 1.762 7 residues pruned to eliminate duplicates Z: 30 29.493 1.894 0.484 0.893 0.966 0.724 CA 1.449 30 residues pruned to eliminate duplicates Z: 14 20.842 1.916 0.947 0.911 0.923 0.769 CB 1.189 14 residues pruned to eliminate duplicates Z: 28 49.282 2.175 0.945 0.932 1.000 0.519 CB 1.565 28 residues pruned to eliminate duplicates Z: 11 26.103 2.165 0.652 0.855 1.000 0.900 CB 1.703 11 residues pruned to eliminate duplicates Z: 11 26.864 1.948 0.963 0.897 1.000 0.700 CB 1.590 11 residues pruned to eliminate duplicates Z: 28 26.576 1.874 0.354 0.927 1.000 0.852 CA 1.412 28 residues pruned to eliminate duplicates Z: 28 36.855 1.998 0.801 0.899 0.926 0.741 CB 1.522 27 residues pruned to eliminate duplicates Z: 10 15.268 1.930 0.370 0.870 1.000 0.778 CB 1.405 10 residues pruned to eliminate duplicates Z: 16 33.052 2.084 0.834 0.899 1.000 0.733 CA 1.595 16 residues pruned to eliminate duplicates Z: 8 20.866 1.859 0.943 0.882 1.000 0.857 CB 1.580 8 residues pruned to eliminate duplicates Z: 10 17.138 1.989 0.665 0.686 1.000 0.778 CB 1.454 8 residues pruned to eliminate duplicates Z: 29 34.939 1.936 0.598 0.922 1.000 0.821 CA 1.501 29 residues pruned to eliminate duplicates Z: 8 18.563 2.040 0.546 0.808 1.000 0.714 CB 1.700 8 residues pruned to eliminate duplicates Z: 9 22.910 2.123 1.071 0.889 1.000 0.875 CB 1.327 9 residues pruned to eliminate duplicates Z: 10 11.556 1.852 0.124 0.815 1.000 0.889 CA 1.407 10 residues pruned to eliminate duplicates Z: 6 10.747 2.234 0.308 0.505 1.000 0.400 CB 1.637 6 residues pruned to eliminate duplicates Z: 14 8.410 1.929 0.778 0.410 0.846 0.538 CB 0.883 Z: 8 17.064 1.802 0.839 0.884 1.000 0.857 N 1.406 8 residues pruned to eliminate duplicates Z: 17 25.980 2.075 0.600 0.882 0.938 0.750 CA 1.509 17 residues pruned to eliminate duplicates Z: 16 15.173 2.107 0.844 0.482 0.867 0.600 CB 1.185 7 residues pruned to eliminate duplicates Z: 9 13.445 1.749 0.602 0.793 1.000 0.750 CB 1.312 13 residues pruned to eliminate duplicates Z: 41 30.209 2.139 0.608 0.555 0.875 0.575 CB 1.505 41 residues pruned to eliminate duplicates Z: 25 26.858 2.133 0.832 0.512 0.875 0.583 CB 1.584 25 residues pruned to eliminate duplicates Z: 29 43.754 2.140 0.890 0.905 0.929 0.929 CA 1.567 29 residues pruned to eliminate duplicates Z: 17 26.404 2.002 0.462 0.889 1.000 0.812 CA 1.623 18 residues pruned to eliminate duplicates Z: 25 34.483 1.982 0.725 0.922 0.917 0.708 CA 1.579 25 residues pruned to eliminate duplicates Z: 25 31.048 2.037 0.571 0.864 0.917 0.833 CA 1.585 25 residues pruned to eliminate duplicates Z: 7 14.523 2.030 0.463 0.826 1.000 0.833 CA 1.505 7 residues pruned to eliminate duplicates Z: 19 24.133 1.864 0.783 0.868 0.944 0.722 CB 1.324 19 residues pruned to eliminate duplicates Z: 16 22.626 2.052 0.489 0.906 0.933 0.867 CA 1.457 16 residues pruned to eliminate duplicates Z: 12 23.014 1.967 0.901 0.888 1.000 0.727 CB 1.337 12 residues pruned to eliminate duplicates Z: 16 15.124 1.757 0.662 0.827 0.933 0.667 CB 1.080 17 residues pruned to eliminate duplicates Z: 13 20.533 1.936 0.405 0.933 1.000 1.000 CA 1.521 13 residues pruned to eliminate duplicates Z: 6 18.332 2.052 0.928 0.844 1.000 0.800 CA 1.542 6 residues pruned to eliminate duplicates Z: 31 31.029 1.998 0.821 0.566 0.933 0.633 CA 1.566 31 residues pruned to eliminate duplicates Z: 12 18.678 2.127 0.531 0.845 1.000 0.818 CA 1.286 12 residues pruned to eliminate duplicates Z: 10 22.763 2.411 0.227 0.872 1.000 1.000 CA 1.869 10 residues pruned to eliminate duplicates Z: 30 41.725 2.233 0.514 0.927 1.000 0.793 CA 1.607 31 residues pruned to eliminate duplicates Z: 17 23.845 1.871 0.634 0.899 1.000 0.812 CA 1.394 17 residues pruned to eliminate duplicates Z: 23 25.335 2.012 0.268 0.901 1.000 0.864 CA 1.510 23 residues pruned to eliminate duplicates Z: 11 16.343 2.015 0.310 0.913 0.900 0.700 CA 1.540 11 residues pruned to eliminate duplicates Z: 27 33.737 2.102 0.627 0.746 0.962 0.731 CB 1.614 18 residues pruned to eliminate duplicates Z: 44 46.006 2.124 0.778 0.863 0.953 0.465 CB 1.430 44 residues pruned to eliminate duplicates Z: 25 27.880 1.945 0.675 0.890 0.917 0.458 CB 1.371 Z: 6 15.039 2.148 0.761 0.832 1.000 1.000 CB 1.334 8 residues pruned to eliminate duplicates Z: 31 51.052 2.092 1.042 0.884 0.967 0.767 CB 1.630 31 residues pruned to eliminate duplicates Z: 6 10.258 2.194 0.537 0.858 0.800 0.600 CB 1.252 6 residues pruned to eliminate duplicates Z: 14 24.223 1.933 0.799 0.893 1.000 0.538 CB 1.388 14 residues pruned to eliminate duplicates Z: 6 6.312 1.861 -0.179 0.733 1.000 0.600 N 1.498 Z: 31 47.223 2.221 0.772 0.927 0.933 0.767 CA 1.645 31 residues pruned to eliminate duplicates Z: 14 20.785 1.972 0.717 0.889 1.000 0.692 CA 1.226 14 residues pruned to eliminate duplicates Z: 10 15.501 1.798 0.529 0.800 0.889 0.556 C 1.627 10 residues pruned to eliminate duplicates Z: 26 18.413 1.987 0.678 0.528 0.880 0.640 CB 1.221 26 residues pruned to eliminate duplicates Z: 21 25.947 2.003 0.575 0.757 0.950 0.750 CB 1.540 21 residues pruned to eliminate duplicates Z: 16 33.911 2.078 0.793 0.937 1.000 0.800 CB 1.636 16 residues pruned to eliminate duplicates Z: 13 22.556 1.875 0.582 0.880 1.000 0.917 CB 1.591 13 residues pruned to eliminate duplicates Z: 24 27.300 1.976 0.689 0.824 0.870 0.565 CB 1.482 23 residues pruned to eliminate duplicates Z: 8 15.174 1.905 0.448 0.771 1.000 0.571 C 1.636 8 residues pruned to eliminate duplicates Z: 16 21.996 1.900 0.736 0.850 0.933 0.400 CB 1.367 Z: 29 36.166 1.961 0.804 0.922 0.964 0.500 CB 1.409 29 residues pruned to eliminate duplicates Z: 31 54.397 2.225 1.035 0.933 1.000 0.667 CB 1.530 31 residues pruned to eliminate duplicates Z: 7 17.813 2.017 0.826 0.776 1.000 0.667 CA 1.547 7 residues pruned to eliminate duplicates Z: 15 23.508 2.060 0.557 0.924 0.929 0.714 CB 1.482 16 residues pruned to eliminate duplicates Z: 9 14.004 2.027 0.181 0.918 1.000 1.000 CA 1.459 9 residues pruned to eliminate duplicates Z: 15 29.505 1.958 0.921 0.903 0.929 0.571 CA 1.610 15 residues pruned to eliminate duplicates Z: 22 34.801 2.122 0.717 0.914 0.905 0.619 CB 1.629 22 residues pruned to eliminate duplicates Z: 24 27.706 1.868 0.551 0.908 0.957 0.826 CB 1.481 24 residues pruned to eliminate duplicates Z: 55 32.509 2.193 0.739 0.386 0.889 0.519 CB 1.474 55 residues pruned to eliminate duplicates Z: 14 22.754 2.047 0.373 0.931 1.000 0.846 CB 1.568 14 residues pruned to eliminate duplicates Z: 15 19.399 1.811 0.840 0.932 1.000 0.786 CB 1.087 15 residues pruned to eliminate duplicates Z: 8 8.751 2.107 0.340 0.613 1.000 0.857 CB 1.053 8 residues pruned to eliminate duplicates Z: 30 27.544 2.002 0.664 0.616 0.931 0.621 CB 1.477 23 residues pruned to eliminate duplicates Z: 67 55.190 2.165 1.001 0.544 0.939 0.682 CB 1.598 67 residues pruned to eliminate duplicates Z: 18 23.267 1.898 0.410 0.883 1.000 0.882 CB 1.525 18 residues pruned to eliminate duplicates Z: 30 33.877 1.882 0.621 0.922 1.000 0.897 CA 1.450 29 residues pruned to eliminate duplicates Z: 15 16.647 1.956 0.245 0.909 0.929 0.857 CB 1.397 15 residues pruned to eliminate duplicates Z: 6 6.465 1.897 -0.235 0.738 1.000 0.600 CB 1.609 Z: 43 65.171 2.254 1.115 0.829 0.976 0.881 CA 1.627 43 residues pruned to eliminate duplicates Z: 9 13.326 2.076 0.215 0.853 1.000 0.875 CB 1.381 9 residues pruned to eliminate duplicates Z: 13 12.972 1.857 0.304 0.880 1.000 0.833 CB 1.120 13 residues pruned to eliminate duplicates Z: 13 20.573 1.825 0.664 0.892 0.917 0.667 CB 1.532 13 residues pruned to eliminate duplicates Z: 15 30.246 2.066 0.726 0.938 1.000 0.857 CB 1.576 15 residues pruned to eliminate duplicates Z: 15 23.132 1.884 0.804 0.901 1.000 0.929 CB 1.298 15 residues pruned to eliminate duplicates Z: 29 30.193 2.027 0.800 0.640 1.000 0.643 CB 1.371 29 residues pruned to eliminate duplicates Z: 9 21.563 1.960 0.812 0.892 1.000 0.750 CB 1.542 9 residues pruned to eliminate duplicates Z: 8 12.058 1.919 0.806 0.681 0.857 0.429 CB 1.300 8 residues pruned to eliminate duplicates Z: 12 18.436 1.997 0.485 0.835 0.909 0.636 CA 1.544 12 residues pruned to eliminate duplicates Z: 8 11.259 1.907 0.708 0.777 1.000 0.857 CB 1.023 Z: 30 50.195 2.122 1.197 0.945 0.931 0.448 CB 1.487 30 residues pruned to eliminate duplicates Z: 11 15.433 2.003 0.285 0.824 1.000 0.800 CA 1.432 11 residues pruned to eliminate duplicates Z: 30 56.140 2.239 1.044 0.948 1.000 0.690 CB 1.573 30 residues pruned to eliminate duplicates Z: 14 26.167 1.979 0.810 0.865 1.000 0.692 CB 1.485 14 residues pruned to eliminate duplicates Z: 16 21.442 1.903 0.745 0.837 0.933 0.400 CB 1.336 16 residues pruned to eliminate duplicates Z: 16 26.029 1.972 0.690 0.861 0.933 0.867 CB 1.588 17 residues pruned to eliminate duplicates Z: 13 18.900 2.094 0.500 0.849 1.000 0.917 CA 1.288 13 residues pruned to eliminate duplicates Z: 114 64.177 2.171 0.818 0.592 0.920 0.628 CB 1.523 112 residues pruned to eliminate duplicates Z: 40 23.538 2.047 0.566 0.498 0.923 0.564 CB 1.276 37 residues pruned to eliminate duplicates Z: 23 32.417 2.076 0.688 0.892 0.909 0.773 CB 1.559 23 residues pruned to eliminate duplicates Z: 17 20.591 1.941 0.290 0.862 1.000 0.812 CA 1.509 17 residues pruned to eliminate duplicates Z: 12 22.477 1.979 0.735 0.885 1.000 1.000 CA 1.426 12 residues pruned to eliminate duplicates Z: 12 18.333 1.959 0.644 0.772 0.909 0.545 CB 1.484 12 residues pruned to eliminate duplicates Z: 34 25.901 1.967 0.606 0.607 0.909 0.667 CB 1.418 25 residues pruned to eliminate duplicates Z: 14 20.529 1.880 0.364 0.917 1.000 0.923 CB 1.567 14 residues pruned to eliminate duplicates Z: 18 24.031 1.942 0.432 0.931 1.000 0.941 CA 1.464 18 residues pruned to eliminate duplicates Z: 17 28.564 2.071 0.745 0.884 0.938 0.812 CA 1.523 17 residues pruned to eliminate duplicates Z: 16 24.502 1.902 0.656 0.888 1.000 0.867 CA 1.447 16 residues pruned to eliminate duplicates Z: 24 24.656 1.988 0.273 0.919 0.957 0.913 CA 1.497 24 residues pruned to eliminate duplicates Z: 21 36.940 1.991 1.124 0.861 0.950 0.700 CB 1.511 24 residues pruned to eliminate duplicates Z: 13 18.567 1.818 0.451 0.897 1.000 0.833 CA 1.454 13 residues pruned to eliminate duplicates Z: 14 23.550 1.890 0.554 0.924 1.000 1.000 CA 1.561 14 residues pruned to eliminate duplicates Z: 32 35.579 2.117 0.490 0.922 1.000 0.871 CA 1.424 32 residues pruned to eliminate duplicates Z: 6 10.885 1.969 0.269 0.855 1.000 1.000 CA 1.438 Z: 15 21.297 1.883 0.695 0.919 1.000 0.929 CB 1.257 15 residues pruned to eliminate duplicates Z: 38 39.750 2.049 0.782 0.754 0.973 0.405 CB 1.467 26 residues pruned to eliminate duplicates Z: 9 15.721 2.018 0.591 0.805 0.875 0.625 CA 1.516 9 residues pruned to eliminate duplicates Z: 9 23.798 2.026 1.278 0.806 0.875 0.500 CB 1.596 9 residues pruned to eliminate duplicates Z: 26 28.640 2.130 0.792 0.582 0.920 0.720 CB 1.508 30 residues pruned to eliminate duplicates Z: 30 22.804 1.944 0.445 0.679 0.897 0.655 CB 1.426 30 residues pruned to eliminate duplicates Z: 17 26.751 2.058 0.606 0.906 1.000 0.750 CA 1.439 17 residues pruned to eliminate duplicates Z: 14 18.149 1.977 0.490 0.874 0.846 0.769 CB 1.470 14 residues pruned to eliminate duplicates Z: 10 16.467 1.973 0.578 0.879 0.889 0.778 CA 1.439 10 residues pruned to eliminate duplicates Z: 22 24.024 1.929 0.426 0.904 1.000 0.857 CB 1.357 Z: 46 32.480 2.144 0.729 0.477 0.889 0.533 CB 1.504 46 residues pruned to eliminate duplicates Z: 44 28.288 2.005 0.601 0.546 0.907 0.651 CB 1.417 32 residues pruned to eliminate duplicates Z: 11 23.537 2.087 0.788 0.893 1.000 1.000 CB 1.432 11 residues pruned to eliminate duplicates Z: 31 38.744 1.890 0.750 0.933 1.000 0.767 CB 1.492 31 residues pruned to eliminate duplicates Z: 12 14.269 2.083 0.779 0.465 0.818 0.545 CB 1.470 12 residues pruned to eliminate duplicates Z: 16 30.128 2.121 0.798 0.871 0.933 0.800 CA 1.594 16 residues pruned to eliminate duplicates Z: 29 50.373 2.205 0.930 0.945 1.000 0.714 CB 1.548 29 residues pruned to eliminate duplicates Z: 28 26.236 2.013 0.546 0.666 0.926 0.741 CB 1.503 28 residues pruned to eliminate duplicates Z: 23 23.689 1.950 0.311 0.886 0.955 0.955 CA 1.494 23 residues pruned to eliminate duplicates Z: 12 15.871 1.868 0.711 0.871 0.727 0.364 CB 1.501 12 residues pruned to eliminate duplicates Z: 22 9.425 1.875 0.422 0.450 0.762 0.524 CB 1.067 22 residues pruned to eliminate duplicates Z: 25 28.785 2.060 0.536 0.700 1.000 0.708 CB 1.548 25 residues pruned to eliminate duplicates Z: 29 55.128 2.297 0.885 0.958 0.964 0.893 CA 1.712 29 residues pruned to eliminate duplicates Z: 8 7.576 2.049 0.337 0.503 1.000 0.429 CB 1.043 9 residues pruned to eliminate duplicates Z: 15 14.661 1.803 0.383 0.909 1.000 0.857 CB 1.115 14 residues pruned to eliminate duplicates Z: 12 26.099 2.040 0.919 0.876 1.000 0.727 CB 1.461 12 residues pruned to eliminate duplicates Z: 12 22.014 1.908 0.718 0.812 1.000 0.636 CA 1.543 12 residues pruned to eliminate duplicates Z: 25 24.773 1.868 0.527 0.856 0.917 0.792 CB 1.426 25 residues pruned to eliminate duplicates Z: 15 20.311 1.907 0.491 0.869 1.000 0.786 CB 1.395 15 residues pruned to eliminate duplicates Z: 26 26.523 1.866 0.442 0.862 0.960 0.880 CA 1.507 26 residues pruned to eliminate duplicates Z: 25 29.710 1.970 0.511 0.915 0.917 0.875 CA 1.570 25 residues pruned to eliminate duplicates Z: 17 24.896 1.958 0.582 0.861 0.938 0.750 CA 1.575 17 residues pruned to eliminate duplicates Z: 16 17.165 1.906 0.120 0.895 1.000 0.933 CB 1.488 16 residues pruned to eliminate duplicates Z: 29 27.130 1.897 0.385 0.897 1.000 0.786 CA 1.398 29 residues pruned to eliminate duplicates Z: 23 22.295 1.848 0.316 0.911 1.000 0.909 CB 1.384 22 residues pruned to eliminate duplicates Z: 27 23.946 2.077 0.938 0.494 0.923 0.308 CB 1.272 27 residues pruned to eliminate duplicates Z: 72 58.108 2.260 0.900 0.546 0.944 0.690 CA 1.626 72 residues pruned to eliminate duplicates Z: 40 23.517 1.940 0.601 0.524 0.872 0.538 CB 1.359 43 residues pruned to eliminate duplicates Z: 11 20.430 2.122 0.497 0.935 1.000 1.000 CA 1.417 11 residues pruned to eliminate duplicates Z: 31 53.937 2.236 1.005 0.931 1.000 0.433 CB 1.536 31 residues pruned to eliminate duplicates Z: 13 25.433 1.893 0.684 0.940 1.000 0.917 CB 1.600 13 residues pruned to eliminate duplicates Z: 31 51.163 2.252 0.778 0.932 0.967 0.900 CB 1.685 31 residues pruned to eliminate duplicates Z: 15 5.832 1.640 0.723 0.327 0.714 0.357 CB 0.933 Z: 25 27.876 1.926 0.459 0.872 0.958 0.833 CA 1.540 25 residues pruned to eliminate duplicates Z: 11 17.280 2.069 0.604 0.516 1.000 0.800 CB 1.620 11 residues pruned to eliminate duplicates Z: 39 23.363 1.963 0.588 0.578 0.842 0.579 CB 1.340 39 residues pruned to eliminate duplicates Z: 13 20.519 1.944 0.522 0.908 0.917 0.750 CB 1.551 13 residues pruned to eliminate duplicates Z: 11 15.995 1.897 0.540 0.769 1.000 0.500 CA 1.365 11 residues pruned to eliminate duplicates Z: 17 20.548 1.866 0.508 0.905 1.000 0.812 CA 1.299 17 residues pruned to eliminate duplicates Z: 6 10.237 2.232 0.151 0.631 1.000 0.800 CB 1.576 6 residues pruned to eliminate duplicates Z: 8 6.961 1.696 0.174 0.544 1.000 0.857 N 1.267 8 residues pruned to eliminate duplicates Z: 30 44.583 2.032 1.037 0.920 0.966 0.586 CB 1.459 30 residues pruned to eliminate duplicates Z: 30 33.362 1.929 0.554 0.924 0.931 0.862 CA 1.559 30 residues pruned to eliminate duplicates Z: 13 24.930 1.886 0.793 0.876 1.000 0.917 CA 1.547 12 residues pruned to eliminate duplicates Z: 29 26.119 1.976 0.724 0.562 0.893 0.536 CB 1.529 29 residues pruned to eliminate duplicates Z: 47 27.106 1.945 0.557 0.495 0.957 0.652 CB 1.386 47 residues pruned to eliminate duplicates Z: 15 7.875 1.727 0.372 0.316 0.857 0.143 CB 1.270 Z: 11 24.457 2.005 0.850 0.934 1.000 1.000 CB 1.453 11 residues pruned to eliminate duplicates Z: 40 27.351 2.152 0.693 0.456 0.897 0.462 CB 1.401 40 residues pruned to eliminate duplicates Z: 8 10.672 2.003 0.230 0.650 1.000 0.857 CB 1.423 8 residues pruned to eliminate duplicates Z: 30 46.738 2.156 0.833 0.897 0.966 0.724 CB 1.628 30 residues pruned to eliminate duplicates Z: 13 33.936 2.186 1.074 0.812 1.000 0.500 CA 1.646 13 residues pruned to eliminate duplicates Z: 26 25.469 1.885 0.540 0.875 0.920 0.760 CB 1.387 26 residues pruned to eliminate duplicates Z: 24 26.715 1.954 0.436 0.892 0.913 0.870 CB 1.561 24 residues pruned to eliminate duplicates Z: 11 34.160 2.409 0.910 0.843 1.000 0.700 CA 1.748 11 residues pruned to eliminate duplicates Z: 14 19.051 2.047 0.616 0.911 1.000 0.692 CB 1.132 14 residues pruned to eliminate duplicates Z: 43 30.570 2.121 0.760 0.501 0.881 0.643 CB 1.433 43 residues pruned to eliminate duplicates Z: 13 12.816 1.902 0.243 0.922 1.000 0.917 CB 1.101 13 residues pruned to eliminate duplicates Z: 16 11.034 1.730 0.311 0.811 0.867 0.600 CB 1.105 15 residues pruned to eliminate duplicates Z: 23 23.710 1.792 0.539 0.918 1.000 0.818 CB 1.293 23 residues pruned to eliminate duplicates Z: 11 16.259 1.998 0.406 0.859 1.000 0.700 CB 1.347 Z: 28 31.638 1.946 0.510 0.933 1.000 0.815 CA 1.446 28 residues pruned to eliminate duplicates Z: 26 12.539 1.932 0.506 0.491 0.880 0.680 CB 0.988 26 residues pruned to eliminate duplicates Z: 21 26.295 2.038 0.662 0.888 0.800 0.700 CB 1.564 21 residues pruned to eliminate duplicates Z: 23 21.928 1.819 0.363 0.928 1.000 0.773 CB 1.320 22 residues pruned to eliminate duplicates Z: 8 2.342 1.760 0.210 0.438 0.714 0.429 CB 0.620 Z: 29 45.647 2.077 0.816 0.946 1.000 0.857 CA 1.582 29 residues pruned to eliminate duplicates Z: 32 47.777 2.134 0.766 0.918 1.000 0.806 CA 1.606 32 residues pruned to eliminate duplicates Z: 67 55.074 2.171 0.764 0.674 0.955 0.727 CB 1.579 67 residues pruned to eliminate duplicates Z: 13 20.548 2.027 0.554 0.875 1.000 0.750 CB 1.369 13 residues pruned to eliminate duplicates Z: 9 11.441 1.964 0.728 0.760 0.875 0.500 CB 1.081 9 residues pruned to eliminate duplicates Z: 42 43.101 2.074 0.936 0.852 0.854 0.439 CB 1.453 42 residues pruned to eliminate duplicates Z: 14 19.877 1.948 0.866 0.888 0.846 0.538 CB 1.291 14 residues pruned to eliminate duplicates Z: 25 26.973 1.940 0.329 0.904 0.958 0.917 CB 1.587 25 residues pruned to eliminate duplicates Z: 53 43.501 2.219 1.068 0.449 0.923 0.481 CB 1.499 53 residues pruned to eliminate duplicates Z: 55 28.653 1.986 0.638 0.512 0.889 0.519 CB 1.333 55 residues pruned to eliminate duplicates Z: 10 7.868 1.919 0.569 0.463 0.778 0.444 CB 1.163 9 residues pruned to eliminate duplicates Z: 113 54.754 2.086 0.725 0.562 0.911 0.625 CB 1.487 113 residues pruned to eliminate duplicates Z: 9 13.449 1.913 0.351 0.904 1.000 1.000 CB 1.310 9 residues pruned to eliminate duplicates Z: 13 13.313 1.879 0.188 0.848 1.000 0.583 CB 1.277 13 residues pruned to eliminate duplicates Z: 7 14.575 2.112 0.528 0.602 1.000 0.500 CA 1.673 7 residues pruned to eliminate duplicates Z: 19 8.196 1.874 0.430 0.394 0.833 0.667 CB 0.967 14 residues pruned to eliminate duplicates Z: 29 25.051 1.936 0.434 0.634 0.964 0.786 CB 1.559 19 residues pruned to eliminate duplicates Z: 36 36.968 2.019 0.830 0.778 0.914 0.600 CB 1.448 25 residues pruned to eliminate duplicates Z: 29 33.696 2.218 1.002 0.563 0.929 0.393 CB 1.453 41 residues pruned to eliminate duplicates Z: 16 27.646 2.073 0.631 0.913 1.000 0.800 CB 1.495 16 residues pruned to eliminate duplicates Z: 9 7.990 1.931 0.683 0.438 0.875 0.625 CB 1.059 11 residues pruned to eliminate duplicates Z: 18 22.387 1.960 0.597 0.874 0.882 0.471 CB 1.431 18 residues pruned to eliminate duplicates Z: 14 13.946 1.887 0.138 0.887 0.923 0.769 CB 1.407 14 residues pruned to eliminate duplicates Z: 6 4.909 1.863 0.339 0.653 0.800 0.600 CB 0.954 6 residues pruned to eliminate duplicates Z: 17 13.420 1.717 0.334 0.877 0.875 0.625 CB 1.216 Z: 13 36.343 2.342 0.897 0.895 1.000 0.833 CA 1.692 13 residues pruned to eliminate duplicates Z: 7 19.069 2.057 0.500 0.902 1.000 1.000 CA 1.800 7 residues pruned to eliminate duplicates Z: 11 11.829 1.837 0.228 0.873 0.900 0.800 CB 1.342 Z: 46 24.943 1.980 0.536 0.513 0.911 0.556 CB 1.325 46 residues pruned to eliminate duplicates Z: 17 24.728 1.944 0.468 0.931 1.000 1.000 CA 1.514 17 residues pruned to eliminate duplicates Z: 31 44.371 2.182 0.995 0.932 0.900 0.567 CB 1.443 31 residues pruned to eliminate duplicates Z: 6 3.404 1.862 0.153 0.671 0.800 0.600 CB 0.757 Z: 24 24.915 1.794 0.553 0.925 1.000 0.522 CB 1.308 24 residues pruned to eliminate duplicates Z: 18 28.131 1.968 0.710 0.911 0.941 0.824 CA 1.526 18 residues pruned to eliminate duplicates Z: 10 14.141 1.635 0.642 0.866 1.000 1.000 CB 1.285 10 residues pruned to eliminate duplicates Z: 9 15.974 2.110 0.687 0.449 1.000 0.750 CB 1.671 9 residues pruned to eliminate duplicates Z: 17 14.431 2.055 0.601 0.350 0.875 0.500 CA 1.475 17 residues pruned to eliminate duplicates Z: 36 32.980 2.027 0.713 0.740 0.914 0.543 CB 1.417 37 residues pruned to eliminate duplicates Z: 15 20.620 1.992 0.544 0.874 0.857 0.571 CB 1.522 15 residues pruned to eliminate duplicates Z: 12 6.761 1.920 0.237 0.312 0.909 0.545 CB 1.163 12 residues pruned to eliminate duplicates Z: 20 17.541 1.757 0.506 0.910 0.947 0.632 CB 1.139 17 residues pruned to eliminate duplicates Z: 12 9.594 1.998 0.709 0.334 0.909 0.545 CB 1.118 12 residues pruned to eliminate duplicates Z: 16 22.003 1.834 0.650 0.891 0.933 0.867 CB 1.446 16 residues pruned to eliminate duplicates Z: 12 16.785 1.902 0.887 0.671 0.818 0.364 N 1.471 12 residues pruned to eliminate duplicates Z: 6 9.044 2.370 0.524 0.459 0.800 0.600 CB 1.459 6 residues pruned to eliminate duplicates Z: 12 16.046 1.857 0.472 0.847 1.000 0.727 CA 1.314 12 residues pruned to eliminate duplicates Z: 14 22.135 1.918 0.558 0.917 1.000 0.923 CB 1.449 14 residues pruned to eliminate duplicates Z: 31 53.065 2.234 0.864 0.902 1.000 0.833 CA 1.660 31 residues pruned to eliminate duplicates Z: 6 3.868 1.422 0.355 0.672 1.000 0.400 CA 0.766 6 residues pruned to eliminate duplicates Z: 18 18.627 1.676 0.764 0.873 0.941 0.647 CB 1.183 17 residues pruned to eliminate duplicates Z: 6 5.290 1.683 0.412 0.620 0.800 0.600 CB 1.111 Z: 24 35.486 2.057 0.628 0.856 1.000 0.913 CB 1.629 24 residues pruned to eliminate duplicates Z: 18 29.165 1.948 0.777 0.907 1.000 0.941 CA 1.452 18 residues pruned to eliminate duplicates Z: 30 33.977 2.165 0.898 0.619 0.897 0.483 CB 1.530 31 residues pruned to eliminate duplicates Z: 14 24.259 2.047 0.607 0.877 0.923 0.846 CB 1.610 14 residues pruned to eliminate duplicates Z: 11 6.683 1.875 0.990 0.298 0.700 0.600 CB 1.013 11 residues pruned to eliminate duplicates Z: 27 18.530 1.858 0.649 0.419 0.923 0.538 CB 1.398 27 residues pruned to eliminate duplicates Z: 14 26.866 2.044 0.826 0.929 1.000 0.923 CA 1.397 14 residues pruned to eliminate duplicates Z: 31 29.005 1.865 0.534 0.880 0.967 0.767 CA 1.388 31 residues pruned to eliminate duplicates Z: 8 15.229 1.766 0.837 0.891 1.000 0.857 CB 1.275 8 residues pruned to eliminate duplicates Z: 17 26.703 2.065 0.675 0.871 0.938 0.812 CA 1.502 17 residues pruned to eliminate duplicates Z: 12 3.878 1.773 0.478 0.191 0.818 0.182 CB 0.789 Z: 7 13.632 1.958 0.715 0.695 0.833 0.500 CA 1.663 7 residues pruned to eliminate duplicates Z: 17 27.389 2.018 0.684 0.865 1.000 0.812 CA 1.477 17 residues pruned to eliminate duplicates Z: 10 14.564 1.872 0.500 0.871 0.889 0.778 CA 1.418 10 residues pruned to eliminate duplicates Z: 11 41.082 2.275 1.612 0.923 1.000 0.800 CB 1.536 11 residues pruned to eliminate duplicates Z: 17 23.670 1.929 0.594 0.917 0.938 0.750 CB 1.448 16 residues pruned to eliminate duplicates Z: 14 8.876 1.949 0.743 0.423 0.769 0.462 CB 1.021 14 residues pruned to eliminate duplicates Z: 11 18.055 1.870 0.779 0.834 1.000 0.800 CA 1.287 11 residues pruned to eliminate duplicates Z: 60 33.384 2.140 0.631 0.439 0.881 0.525 CB 1.505 60 residues pruned to eliminate duplicates Z: 60 35.148 1.942 0.578 0.640 0.915 0.729 CB 1.431 73 residues pruned to eliminate duplicates Z: 25 32.206 1.915 0.715 0.894 0.958 0.792 CB 1.498 25 residues pruned to eliminate duplicates Z: 12 16.895 1.914 0.451 0.838 1.000 0.455 CA 1.371 12 residues pruned to eliminate duplicates Z: 13 15.587 1.725 0.663 0.847 0.917 0.750 CB 1.270 11 residues pruned to eliminate duplicates Z: 78 30.067 1.928 0.616 0.467 0.870 0.571 CB 1.307 78 residues pruned to eliminate duplicates Z: 10 26.600 2.277 0.711 0.820 1.000 0.667 CB 1.725 10 residues pruned to eliminate duplicates Z: 17 25.431 1.818 0.777 0.872 1.000 0.625 CA 1.435 17 residues pruned to eliminate duplicates Z: 9 10.377 1.874 0.415 0.529 0.875 0.625 CA 1.536 9 residues pruned to eliminate duplicates Z: 14 16.959 1.830 0.538 0.858 1.000 0.538 CB 1.231 14 residues pruned to eliminate duplicates Z: 15 29.150 2.145 0.565 0.929 1.000 0.929 CA 1.624 15 residues pruned to eliminate duplicates Z: 17 14.740 2.041 0.750 0.390 0.812 0.500 CB 1.427 17 residues pruned to eliminate duplicates Z: 22 22.802 1.936 0.504 0.681 0.952 0.476 CB 1.520 24 residues pruned to eliminate duplicates Z: 6 17.804 2.272 0.574 0.883 1.000 0.800 CB 1.609 6 residues pruned to eliminate duplicates Z: 59 35.628 2.141 0.645 0.455 0.914 0.569 CB 1.521 59 residues pruned to eliminate duplicates Z: 22 20.948 2.099 0.722 0.523 0.952 0.619 CB 1.298 20 residues pruned to eliminate duplicates Z: 8 20.420 1.796 1.474 0.893 1.000 0.857 CA 1.246 8 residues pruned to eliminate duplicates Z: 16 21.404 1.819 0.738 0.853 0.867 0.533 CA 1.491 25 residues pruned to eliminate duplicates Z: 8 6.561 1.980 0.251 0.359 1.000 0.571 CB 1.166 8 residues pruned to eliminate duplicates Z: 9 9.711 1.842 0.755 0.560 0.875 0.625 CB 1.146 Z: 7 7.873 1.839 0.009 0.668 1.000 0.833 N 1.483 Z: 30 19.461 2.159 0.614 0.312 0.828 0.552 CB 1.544 30 residues pruned to eliminate duplicates Z: 44 52.087 2.119 0.871 0.882 0.977 0.651 CB 1.485 44 residues pruned to eliminate duplicates Z: 10 14.402 2.009 0.158 0.905 1.000 1.000 CB 1.468 10 residues pruned to eliminate duplicates Z: 16 25.453 1.908 0.741 0.849 1.000 0.533 CB 1.467 16 residues pruned to eliminate duplicates Z: 11 15.895 1.837 0.635 0.826 0.900 0.700 CB 1.402 11 residues pruned to eliminate duplicates Z: 8 12.253 1.865 0.708 0.712 0.857 0.857 CA 1.400 8 residues pruned to eliminate duplicates Z: 44 28.616 1.965 0.631 0.556 0.930 0.651 CB 1.386 44 residues pruned to eliminate duplicates Z: 6 7.500 1.745 0.391 0.679 0.800 0.800 CB 1.465 Z: 15 17.872 1.758 0.481 0.926 1.000 0.857 CB 1.286 14 residues pruned to eliminate duplicates Z: 16 27.571 1.875 0.805 0.902 1.000 0.867 CB 1.501 16 residues pruned to eliminate duplicates Z: 10 7.088 1.859 0.300 0.540 0.889 0.778 CB 1.058 10 residues pruned to eliminate duplicates Z: 10 8.746 1.853 0.490 0.507 0.889 0.667 CB 1.179 Z: 28 41.358 2.064 0.970 0.919 1.000 0.593 CB 1.380 28 residues pruned to eliminate duplicates Z: 88 51.883 2.067 0.636 0.673 0.931 0.529 CB 1.506 81 residues pruned to eliminate duplicates Z: 8 10.748 1.451 0.680 0.784 1.000 0.429 N 1.297 Z: 7 12.934 1.898 0.551 0.887 1.000 1.000 CB 1.293 7 residues pruned to eliminate duplicates Z: 11 19.557 1.986 0.487 0.823 1.000 0.900 CA 1.584 11 residues pruned to eliminate duplicates Z: 19 23.217 2.111 0.295 0.916 0.944 0.944 CA 1.497 19 residues pruned to eliminate duplicates Z: 27 34.623 1.946 0.781 0.896 0.962 0.423 CA 1.460 27 residues pruned to eliminate duplicates Z: 14 12.607 1.862 0.332 0.779 0.846 0.692 CB 1.303 14 residues pruned to eliminate duplicates Z: 31 23.828 1.971 0.453 0.587 0.933 0.633 CB 1.497 31 residues pruned to eliminate duplicates Z: 17 27.655 1.971 0.618 0.896 1.000 0.938 CA 1.554 17 residues pruned to eliminate duplicates Z: 7 8.798 2.169 0.130 0.482 1.000 0.667 CB 1.494 Z: 14 19.917 1.918 0.478 0.877 1.000 0.923 CB 1.415 14 residues pruned to eliminate duplicates Z: 29 28.273 1.990 0.578 0.658 0.929 0.750 CB 1.582 29 residues pruned to eliminate duplicates Z: 30 44.149 2.045 0.918 0.939 1.000 0.793 CB 1.453 30 residues pruned to eliminate duplicates Z: 63 54.293 2.226 0.886 0.559 0.919 0.694 CB 1.687 63 residues pruned to eliminate duplicates Z: 30 40.799 2.042 1.010 0.896 0.931 0.414 CB 1.420 30 residues pruned to eliminate duplicates Z: 11 23.503 1.999 0.790 0.914 1.000 0.900 CA 1.469 11 residues pruned to eliminate duplicates Z: 32 29.187 1.949 0.701 0.598 0.935 0.548 CB 1.539 31 residues pruned to eliminate duplicates Z: 21 23.356 1.707 0.747 0.934 1.000 0.750 CB 1.221 20 residues pruned to eliminate duplicates Z: 17 24.378 1.951 0.412 0.885 1.000 0.938 CA 1.597 17 residues pruned to eliminate duplicates Z: 6 4.278 1.836 0.022 0.714 0.800 0.800 CB 1.050 Z: 12 24.052 1.925 0.753 0.895 1.000 0.636 CB 1.541 12 residues pruned to eliminate duplicates Z: 13 31.904 2.007 1.738 0.933 1.000 0.417 CB 1.169 13 residues pruned to eliminate duplicates Z: 15 13.002 1.825 0.506 0.860 0.929 0.429 CB 1.001 15 residues pruned to eliminate duplicates Z: 60 30.211 2.099 0.631 0.408 0.898 0.610 CB 1.408 60 residues pruned to eliminate duplicates Z: 7 10.339 1.611 0.411 0.817 1.000 0.833 CB 1.410 7 residues pruned to eliminate duplicates Z: 88 52.160 2.065 0.731 0.670 0.920 0.517 CB 1.455 90 residues pruned to eliminate duplicates Z: 11 15.071 1.985 0.364 0.899 1.000 1.000 CB 1.258 11 residues pruned to eliminate duplicates Z: 33 24.791 2.208 0.672 0.515 0.812 0.562 CB 1.440 33 residues pruned to eliminate duplicates Z: 17 28.880 2.052 0.771 0.899 0.938 0.875 CA 1.515 17 residues pruned to eliminate duplicates Z: 9 9.330 1.902 -0.043 0.880 1.000 0.875 CB 1.313 9 residues pruned to eliminate duplicates Z: 7 10.343 1.931 0.544 0.813 1.000 0.833 CB 1.079 7 residues pruned to eliminate duplicates Z: 15 28.339 2.146 0.726 0.921 0.929 0.714 CB 1.549 15 residues pruned to eliminate duplicates Z: 19 20.608 1.745 0.674 0.925 0.944 0.667 CB 1.236 19 residues pruned to eliminate duplicates Z: 7 2.608 1.663 0.363 0.426 0.667 0.667 CB 0.761 7 residues pruned to eliminate duplicates Z: 28 45.879 2.131 1.047 0.957 1.000 0.741 CB 1.389 29 residues pruned to eliminate duplicates Z: 7 17.919 1.882 0.698 0.909 1.000 1.000 CA 1.624 7 residues pruned to eliminate duplicates Z: 22 27.696 1.859 0.871 0.935 1.000 0.571 CB 1.211 23 residues pruned to eliminate duplicates Z: 10 6.983 1.961 0.316 0.340 0.889 0.556 CB 1.208 10 residues pruned to eliminate duplicates Z: 37 28.907 2.241 0.599 0.476 0.917 0.583 CB 1.503 37 residues pruned to eliminate duplicates Z: 29 50.353 2.138 0.990 0.912 1.000 0.821 CA 1.585 29 residues pruned to eliminate duplicates Z: 14 17.108 1.911 0.311 0.909 1.000 0.769 CB 1.343 14 residues pruned to eliminate duplicates Z: 15 23.247 1.949 0.563 0.848 1.000 0.714 CB 1.512 15 residues pruned to eliminate duplicates Z: 6 11.544 1.886 0.947 0.850 1.000 0.600 CB 1.041 6 residues pruned to eliminate duplicates Z: 8 9.521 1.470 0.938 0.521 1.000 0.714 C 1.237 Z: 7 4.941 1.566 0.478 0.837 0.833 0.500 CB 0.782 Z: 6 3.528 1.772 -0.069 0.573 0.800 0.600 CB 1.114 Z: 8 8.030 1.825 0.434 0.708 1.000 1.000 CB 0.960 Z: 13 26.043 1.944 0.692 0.940 1.000 1.000 CB 1.588 13 residues pruned to eliminate duplicates 6 1.300 1.658 0.167 0.319 0.600 0.600 CB 0.612 ? Z: 28 35.528 1.930 0.827 0.924 0.963 0.481 CB 1.414 28 residues pruned to eliminate duplicates Z: 15 22.523 2.021 0.749 0.831 1.000 0.714 CB 1.280 15 residues pruned to eliminate duplicates Z: 43 26.143 1.882 0.694 0.620 0.905 0.714 CB 1.249 45 residues pruned to eliminate duplicates Z: 16 25.057 1.961 0.856 0.841 0.933 0.600 CB 1.420 16 residues pruned to eliminate duplicates Z: 6 11.958 1.895 0.574 0.756 1.000 0.600 N 1.428 6 residues pruned to eliminate duplicates Z: 26 21.143 2.034 0.806 0.533 0.920 0.600 CB 1.211 8 residues pruned to eliminate duplicates Z: 12 7.165 1.715 0.366 0.533 1.000 0.818 CB 0.892 12 residues pruned to eliminate duplicates Z: 66 49.844 2.177 0.815 0.537 0.923 0.646 CA 1.635 66 residues pruned to eliminate duplicates Z: 22 24.676 1.982 0.415 0.897 0.952 0.905 CA 1.442 22 residues pruned to eliminate duplicates Z: 15 10.506 1.660 0.519 0.737 0.857 0.571 CB 1.050 15 residues pruned to eliminate duplicates Z: 15 11.182 1.634 0.349 0.816 1.000 0.643 CB 1.030 15 residues pruned to eliminate duplicates Z: 27 27.013 2.066 0.521 0.643 0.962 0.808 CB 1.534 27 residues pruned to eliminate duplicates Z: 12 34.529 2.248 1.242 0.901 1.000 0.909 CA 1.474 12 residues pruned to eliminate duplicates Z: 11 23.408 2.076 0.877 0.895 0.900 0.800 CB 1.513 11 residues pruned to eliminate duplicates Z: 13 28.977 1.958 0.883 0.933 1.000 0.833 CB 1.583 14 residues pruned to eliminate duplicates Z: 8 11.339 1.707 0.436 0.857 1.000 0.571 CB 1.288 8 residues pruned to eliminate duplicates Z: 9 15.105 1.768 0.644 0.871 1.000 0.750 CA 1.340 9 residues pruned to eliminate duplicates Z: 32 26.403 1.950 0.603 0.626 0.903 0.645 CB 1.492 32 residues pruned to eliminate duplicates Z: 27 22.865 2.113 0.742 0.443 0.885 0.538 CB 1.460 28 residues pruned to eliminate duplicates Z: 9 14.928 1.836 0.584 0.810 1.000 0.625 CA 1.385 9 residues pruned to eliminate duplicates Z: 6 2.431 1.864 -0.133 0.329 0.800 0.600 CB 1.015 6 residues pruned to eliminate duplicates Z: 42 52.081 2.216 0.777 0.802 1.000 0.854 CA 1.587 42 residues pruned to eliminate duplicates Z: 17 26.150 2.057 0.665 0.870 0.938 0.875 CA 1.486 17 residues pruned to eliminate duplicates Z: 16 19.820 1.800 0.594 0.872 0.933 0.867 CB 1.393 15 residues pruned to eliminate duplicates Z: 25 29.912 2.174 0.748 0.667 0.917 0.708 CB 1.502 25 residues pruned to eliminate duplicates Z: 30 27.267 2.018 0.628 0.698 0.931 0.517 CB 1.382 30 residues pruned to eliminate duplicates Z: 29 28.649 2.014 0.680 0.649 0.929 0.750 CB 1.500 29 residues pruned to eliminate duplicates Z: 21 16.941 1.709 0.482 0.887 0.900 0.700 CB 1.198 21 residues pruned to eliminate duplicates Z: 13 11.746 1.753 0.252 0.762 0.917 0.667 CB 1.335 13 residues pruned to eliminate duplicates Z: 16 25.181 2.022 0.537 0.879 1.000 0.933 CA 1.516 16 residues pruned to eliminate duplicates Z: 23 11.936 1.908 0.494 0.575 0.909 0.727 CB 0.914 26 residues pruned to eliminate duplicates Z: 13 13.473 1.958 0.200 0.847 1.000 0.750 CB 1.229 13 residues pruned to eliminate duplicates Z: 42 39.893 2.069 0.596 0.869 0.927 0.878 CB 1.488 42 residues pruned to eliminate duplicates Z: 6 7.760 1.697 0.481 0.811 0.800 0.800 CA 1.316 6 residues pruned to eliminate duplicates Z: 12 9.050 1.720 0.267 0.819 0.818 0.636 CB 1.161 12 residues pruned to eliminate duplicates Z: 7 8.468 1.824 0.564 0.762 1.000 0.667 CB 0.960 6 residues pruned to eliminate duplicates Z: 23 21.309 1.797 0.409 0.903 1.000 0.864 CB 1.279 23 residues pruned to eliminate duplicates Z: 6 4.403 2.008 -0.025 0.709 0.600 0.600 CB 1.385 6 residues pruned to eliminate duplicates Z: 33 23.984 2.045 0.574 0.510 0.875 0.688 CB 1.490 33 residues pruned to eliminate duplicates Z: 28 15.210 1.822 0.489 0.541 0.778 0.481 CB 1.333 28 residues pruned to eliminate duplicates Z: 29 46.779 2.104 0.963 0.940 0.964 0.750 CB 1.541 29 residues pruned to eliminate duplicates Z: 29 31.862 1.924 0.532 0.925 1.000 0.821 CA 1.434 29 residues pruned to eliminate duplicates Z: 12 30.426 2.016 1.129 0.918 1.000 0.818 CB 1.508 12 residues pruned to eliminate duplicates Z: 12 20.410 1.947 0.521 0.910 1.000 0.636 CB 1.473 12 residues pruned to eliminate duplicates Z: 14 24.427 2.063 0.712 0.923 0.923 0.692 CB 1.461 14 residues pruned to eliminate duplicates Z: 19 11.822 2.045 0.355 0.343 0.944 0.444 CB 1.263 19 residues pruned to eliminate duplicates Z: 22 28.453 2.274 0.788 0.602 0.905 0.524 CB 1.532 22 residues pruned to eliminate duplicates Z: 8 10.281 1.735 0.289 0.799 1.000 0.714 CA 1.337 8 residues pruned to eliminate duplicates Z: 6 9.398 1.632 0.525 0.823 1.000 0.800 CB 1.277 6 residues pruned to eliminate duplicates Z: 17 22.819 1.814 0.553 0.906 1.000 0.812 CA 1.441 16 residues pruned to eliminate duplicates Z: 8 15.053 1.900 0.631 0.830 1.000 0.714 N 1.380 8 residues pruned to eliminate duplicates Z: 12 22.103 1.973 0.685 0.879 1.000 0.545 CB 1.454 12 residues pruned to eliminate duplicates Z: 13 13.666 1.910 0.287 0.905 0.917 0.833 CB 1.246 13 residues pruned to eliminate duplicates Z: 25 35.340 1.995 1.011 0.872 0.958 0.708 CB 1.367 25 residues pruned to eliminate duplicates Z: 27 26.261 1.983 0.339 0.718 1.000 0.923 CA 1.592 27 residues pruned to eliminate duplicates Z: 10 17.234 1.915 0.655 0.885 1.000 0.889 CA 1.309 10 residues pruned to eliminate duplicates Z: 20 28.119 1.869 0.797 0.863 1.000 0.789 CB 1.409 20 residues pruned to eliminate duplicates Z: 29 35.974 2.081 0.508 0.902 0.964 0.857 CA 1.602 29 residues pruned to eliminate duplicates Z: 19 26.843 2.065 0.816 0.910 0.833 0.500 CB 1.435 19 residues pruned to eliminate duplicates Z: 9 5.622 1.635 0.531 0.486 1.000 0.625 CB 0.806 Z: 43 32.256 2.065 0.706 0.477 0.952 0.548 CB 1.518 76 residues pruned to eliminate duplicates Z: 32 24.666 1.864 0.670 0.737 0.968 0.516 CB 1.188 24 residues pruned to eliminate duplicates Z: 22 13.107 1.845 0.315 0.561 0.857 0.619 CB 1.296 22 residues pruned to eliminate duplicates Z: 13 25.122 2.137 0.873 0.892 0.917 0.750 CB 1.420 14 residues pruned to eliminate duplicates Z: 14 22.274 1.916 0.491 0.925 1.000 0.923 CB 1.518 14 residues pruned to eliminate duplicates Z: 47 29.818 1.966 0.591 0.540 0.957 0.739 CB 1.412 47 residues pruned to eliminate duplicates Z: 14 12.568 1.753 0.442 0.888 0.923 0.538 CB 1.077 14 residues pruned to eliminate duplicates Z: 8 9.703 1.891 0.403 0.875 0.857 0.286 CB 1.172 8 residues pruned to eliminate duplicates Z: 15 15.822 1.707 0.530 0.919 0.929 0.786 CB 1.229 15 residues pruned to eliminate duplicates Z: 34 28.212 2.150 0.702 0.463 0.879 0.576 CB 1.585 34 residues pruned to eliminate duplicates Z: 12 18.528 1.877 0.550 0.897 1.000 1.000 CA 1.375 12 residues pruned to eliminate duplicates Z: 22 23.585 1.732 0.774 0.900 1.000 0.714 CB 1.196 22 residues pruned to eliminate duplicates Z: 13 22.404 2.103 0.836 0.638 0.917 0.250 CB 1.607 13 residues pruned to eliminate duplicates Z: 13 22.392 1.857 0.687 0.872 1.000 0.917 CB 1.505 13 residues pruned to eliminate duplicates Z: 7 2.132 1.338 0.470 0.345 0.500 0.500 CA 1.047 Z: 28 28.812 2.026 0.656 0.702 0.926 0.556 CB 1.484 28 residues pruned to eliminate duplicates Z: 9 13.610 1.928 0.533 0.813 0.875 0.875 CA 1.417 9 residues pruned to eliminate duplicates Z: 8 11.536 1.623 1.291 0.865 0.857 0.714 CB 1.002 Z: 41 30.907 2.027 0.582 0.708 0.925 0.675 CB 1.365 41 residues pruned to eliminate duplicates Z: 56 45.123 2.072 0.691 0.748 0.909 0.636 CB 1.530 56 residues pruned to eliminate duplicates Z: 89 55.858 2.056 0.669 0.697 0.966 0.693 CB 1.501 89 residues pruned to eliminate duplicates Z: 10 15.539 1.948 0.664 0.883 0.889 0.778 CB 1.300 10 residues pruned to eliminate duplicates Z: 21 30.075 2.091 0.888 0.747 1.000 0.750 CB 1.366 21 residues pruned to eliminate duplicates Z: 6 10.692 1.783 0.781 0.670 1.000 0.600 CA 1.287 Z: 16 18.799 1.852 0.391 0.899 1.000 0.867 CA 1.347 16 residues pruned to eliminate duplicates Z: 14 26.150 2.154 0.409 0.944 1.000 1.000 CA 1.654 14 residues pruned to eliminate duplicates Z: 14 18.900 1.845 0.508 0.875 0.923 0.692 CB 1.485 14 residues pruned to eliminate duplicates Z: 11 25.647 2.170 0.870 0.855 1.000 0.700 CB 1.475 11 residues pruned to eliminate duplicates Z: 27 27.795 1.982 0.464 0.703 0.962 0.654 CB 1.624 27 residues pruned to eliminate duplicates Z: 14 13.461 1.788 0.280 0.835 1.000 0.846 CB 1.222 14 residues pruned to eliminate duplicates Z: 12 30.733 2.123 1.445 0.867 1.000 0.636 CB 1.306 12 residues pruned to eliminate duplicates Z: 23 4.801 1.728 0.244 0.275 0.773 0.455 CB 0.795 23 residues pruned to eliminate duplicates Z: 8 21.436 2.072 0.875 0.882 1.000 0.714 CB 1.509 8 residues pruned to eliminate duplicates Z: 29 32.280 1.895 0.801 0.904 0.964 0.750 CB 1.321 29 residues pruned to eliminate duplicates Z: 37 26.613 1.922 0.631 0.588 0.889 0.528 CB 1.464 37 residues pruned to eliminate duplicates Z: 43 32.648 1.871 0.804 0.701 0.929 0.476 CB 1.339 43 residues pruned to eliminate duplicates Z: 8 8.230 1.866 0.501 0.774 0.714 0.714 CB 1.220 8 residues pruned to eliminate duplicates Z: 16 27.997 1.995 0.791 0.913 1.000 0.733 CA 1.432 16 residues pruned to eliminate duplicates Z: 12 17.299 1.948 0.472 0.875 0.909 0.727 CA 1.455 12 residues pruned to eliminate duplicates Z: 7 11.165 1.958 0.822 0.810 1.000 0.833 CA 0.976 7 residues pruned to eliminate duplicates Z: 29 46.030 2.109 1.049 0.932 1.000 0.571 CB 1.406 29 residues pruned to eliminate duplicates Z: 12 19.163 1.835 0.619 0.862 1.000 0.636 CA 1.428 12 residues pruned to eliminate duplicates Z: 7 2.853 1.854 -0.140 0.553 1.000 0.667 CB 0.694 Z: 14 21.296 2.045 0.401 0.943 1.000 0.769 CB 1.429 14 residues pruned to eliminate duplicates Z: 17 27.829 2.010 0.795 0.865 0.938 0.750 CB 1.507 17 residues pruned to eliminate duplicates Z: 26 27.975 2.065 0.608 0.668 0.880 0.760 CB 1.640 26 residues pruned to eliminate duplicates Z: 25 24.927 1.937 0.363 0.856 0.958 0.792 CB 1.482 25 residues pruned to eliminate duplicates Z: 7 13.986 1.705 1.035 0.839 1.000 0.833 CA 1.228 7 residues pruned to eliminate duplicates Z: 28 31.013 2.046 0.728 0.707 0.926 0.593 CB 1.511 27 residues pruned to eliminate duplicates Z: 13 7.491 1.709 0.472 0.416 0.750 0.417 CB 1.250 8 residues pruned to eliminate duplicates Z: 9 10.401 1.822 0.482 0.565 1.000 0.375 CB 1.278 9 residues pruned to eliminate duplicates Z: 30 21.319 1.986 0.575 0.589 0.828 0.517 CB 1.404 30 residues pruned to eliminate duplicates Z: 19 36.741 2.065 1.208 0.897 1.000 0.556 CB 1.359 19 residues pruned to eliminate duplicates Z: 32 28.429 2.019 0.867 0.589 0.935 0.484 CB 1.329 32 residues pruned to eliminate duplicates Z: 23 21.921 1.778 0.462 0.933 1.000 0.818 CB 1.254 23 residues pruned to eliminate duplicates Z: 30 27.671 2.082 0.667 0.636 0.931 0.655 CB 1.399 30 residues pruned to eliminate duplicates Z: 6 6.931 1.612 0.856 0.779 1.000 0.600 CA 0.810 6 residues pruned to eliminate duplicates 7 1.636 1.669 0.051 0.166 0.667 0.167 CB 0.857 ? Z: 13 6.026 1.538 0.457 0.412 0.833 0.583 CB 1.021 Z: 14 16.737 1.857 0.484 0.862 1.000 0.692 CB 1.237 14 residues pruned to eliminate duplicates Z: 14 20.554 1.856 1.082 0.759 0.846 0.615 CB 1.385 14 residues pruned to eliminate duplicates Z: 32 26.505 1.958 0.701 0.622 0.935 0.645 CB 1.362 32 residues pruned to eliminate duplicates Z: 25 27.200 1.929 0.495 0.879 0.958 0.833 CB 1.457 25 residues pruned to eliminate duplicates Z: 9 13.552 1.751 0.472 0.866 1.000 1.000 N 1.360 9 residues pruned to eliminate duplicates Z: 10 13.824 1.943 0.600 0.833 0.889 0.778 CB 1.251 10 residues pruned to eliminate duplicates Z: 39 18.970 1.858 0.545 0.517 0.868 0.526 CB 1.214 27 residues pruned to eliminate duplicates Z: 7 13.290 1.799 0.675 0.832 1.000 0.833 CB 1.351 8 residues pruned to eliminate duplicates Z: 17 14.233 1.612 0.498 0.885 1.000 0.938 CB 1.064 17 residues pruned to eliminate duplicates Z: 6 15.579 2.256 0.541 0.869 1.000 1.000 CA 1.464 6 residues pruned to eliminate duplicates Z: 22 20.596 1.791 0.751 0.931 0.952 0.571 CB 1.051 22 residues pruned to eliminate duplicates Z: 14 28.756 2.048 0.826 0.931 1.000 0.846 CB 1.490 14 residues pruned to eliminate duplicates Z: 6 14.843 2.121 0.388 0.872 1.000 1.000 CA 1.643 6 residues pruned to eliminate duplicates Z: 14 26.596 2.040 0.943 0.885 0.923 0.846 CB 1.455 14 residues pruned to eliminate duplicates Z: 12 10.772 1.911 0.464 0.823 0.818 0.455 CB 1.073 12 residues pruned to eliminate duplicates Z: 15 11.771 1.929 0.383 0.515 0.857 0.500 CB 1.356 15 residues pruned to eliminate duplicates Z: 39 22.985 2.039 0.603 0.473 0.868 0.711 CB 1.349 30 residues pruned to eliminate duplicates Z: 24 22.452 1.821 0.394 0.930 0.957 0.783 CB 1.348 24 residues pruned to eliminate duplicates Z: 27 34.542 1.941 0.671 0.913 1.000 0.692 CB 1.478 27 residues pruned to eliminate duplicates Z: 12 14.062 1.728 0.518 0.873 1.000 0.818 CB 1.178 12 residues pruned to eliminate duplicates Z: 14 16.548 1.743 0.669 0.839 0.846 0.615 CB 1.393 14 residues pruned to eliminate duplicates Z: 13 13.343 1.921 0.640 0.524 0.917 0.500 CB 1.303 13 residues pruned to eliminate duplicates Z: 52 36.929 2.164 0.703 0.532 0.902 0.471 CB 1.507 52 residues pruned to eliminate duplicates Z: 29 33.264 2.032 0.555 0.916 1.000 0.893 CA 1.405 29 residues pruned to eliminate duplicates Z: 12 23.316 1.953 1.013 0.885 1.000 0.727 CB 1.290 11 residues pruned to eliminate duplicates Z: 13 12.048 1.926 0.101 0.877 0.917 0.667 CB 1.299 13 residues pruned to eliminate duplicates Z: 30 38.145 1.901 0.895 0.889 0.966 0.517 CB 1.466 30 residues pruned to eliminate duplicates Z: 31 35.904 2.207 0.858 0.681 0.900 0.633 CB 1.504 29 residues pruned to eliminate duplicates Z: 8 5.375 1.688 0.197 0.675 1.000 0.714 CB 0.856 Z: 45 31.480 2.099 0.601 0.461 0.932 0.455 CB 1.577 45 residues pruned to eliminate duplicates Z: 6 2.333 1.465 -0.004 0.298 0.800 0.400 O 1.120 Z: 38 26.099 1.923 0.574 0.684 0.892 0.676 CB 1.342 38 residues pruned to eliminate duplicates Z: 18 21.291 1.978 0.728 0.701 0.882 0.765 CB 1.426 Z: 25 27.460 1.844 0.708 0.906 0.958 0.583 CB 1.321 25 residues pruned to eliminate duplicates Z: 21 15.560 1.746 0.239 0.918 0.950 0.850 CB 1.194 21 residues pruned to eliminate duplicates Z: 7 7.211 1.611 0.399 0.676 1.000 0.667 CB 1.111 7 residues pruned to eliminate duplicates Z: 15 17.398 1.776 0.546 0.877 1.000 0.929 CB 1.229 15 residues pruned to eliminate duplicates Z: 7 5.004 1.553 0.500 0.737 0.833 0.833 CB 0.851 Z: 6 12.069 2.228 0.678 0.626 0.800 0.800 CB 1.602 6 residues pruned to eliminate duplicates Z: 20 18.190 1.710 0.671 0.916 0.895 0.579 CB 1.153 20 residues pruned to eliminate duplicates Z: 8 5.862 1.748 0.258 0.514 0.857 0.429 CB 1.159 Z: 17 18.377 1.970 0.236 0.909 1.000 0.938 CA 1.339 17 residues pruned to eliminate duplicates Z: 6 10.025 1.826 0.425 0.850 1.000 0.800 CB 1.276 7 residues pruned to eliminate duplicates Z: 11 12.443 1.998 0.695 0.466 0.800 0.700 CA 1.504 11 residues pruned to eliminate duplicates Z: 31 22.011 1.956 0.704 0.518 0.900 0.633 CB 1.316 31 residues pruned to eliminate duplicates Z: 25 34.716 2.316 1.107 0.620 0.917 0.583 CB 1.414 25 residues pruned to eliminate duplicates Z: 9 13.172 1.987 0.117 0.859 1.000 0.875 CB 1.545 9 residues pruned to eliminate duplicates Z: 12 26.234 2.024 0.927 0.915 1.000 0.727 CB 1.433 12 residues pruned to eliminate duplicates Z: 14 19.569 1.913 0.493 0.927 0.923 0.846 CB 1.443 14 residues pruned to eliminate duplicates Z: 12 25.531 2.178 0.459 0.915 1.000 0.727 CA 1.712 12 residues pruned to eliminate duplicates Z: 11 9.703 1.726 0.662 0.472 0.800 0.600 CB 1.374 12 residues pruned to eliminate duplicates Z: 14 18.574 1.922 0.647 0.850 1.000 0.692 CB 1.206 14 residues pruned to eliminate duplicates Z: 11 6.183 1.647 0.404 0.439 0.800 0.200 CB 1.125 Z: 23 31.505 1.971 0.738 0.911 0.955 0.636 CB 1.455 23 residues pruned to eliminate duplicates Z: 11 21.876 2.033 0.755 0.918 1.000 0.700 CB 1.368 11 residues pruned to eliminate duplicates Z: 29 45.651 2.059 1.033 0.951 1.000 0.357 CB 1.421 29 residues pruned to eliminate duplicates Z: 10 7.999 1.731 0.154 0.619 1.000 0.444 CB 1.192 Z: 12 14.099 1.760 0.486 0.883 0.909 0.818 CB 1.292 12 residues pruned to eliminate duplicates Z: 14 12.639 1.772 0.138 0.901 1.000 0.923 CB 1.241 14 residues pruned to eliminate duplicates Z: 18 11.853 2.004 0.655 0.372 0.765 0.529 CB 1.300 18 residues pruned to eliminate duplicates Z: 14 20.545 1.895 0.513 0.926 1.000 0.923 CB 1.394 14 residues pruned to eliminate duplicates Z: 22 36.093 2.011 0.886 0.899 0.952 0.571 CB 1.558 22 residues pruned to eliminate duplicates Z: 8 9.463 1.698 0.546 0.714 0.857 0.714 CB 1.309 8 residues pruned to eliminate duplicates Z: 23 7.235 1.570 0.597 0.291 0.773 0.545 CB 1.007 18 residues pruned to eliminate duplicates Z: 7 9.377 1.846 0.513 0.810 0.833 0.500 CB 1.255 7 residues pruned to eliminate duplicates Z: 23 27.482 1.930 0.629 0.886 0.909 0.682 CB 1.479 23 residues pruned to eliminate duplicates Z: 6 2.468 1.566 0.181 0.364 0.600 0.400 CB 1.151 6 residues pruned to eliminate duplicates Z: 16 21.740 2.067 0.258 0.857 1.000 0.933 CA 1.592 16 residues pruned to eliminate duplicates Z: 23 19.549 2.125 0.481 0.545 0.864 0.455 CB 1.468 23 residues pruned to eliminate duplicates Z: 12 7.439 1.911 0.139 0.423 0.909 0.545 CB 1.229 11 residues pruned to eliminate duplicates Z: 22 26.457 1.867 0.697 0.916 1.000 0.810 CB 1.287 22 residues pruned to eliminate duplicates Z: 33 27.767 1.980 0.709 0.654 0.938 0.594 CB 1.340 32 residues pruned to eliminate duplicates Z: 12 24.694 1.899 0.941 0.898 0.909 0.636 CA 1.590 12 residues pruned to eliminate duplicates Z: 50 18.652 1.935 0.503 0.471 0.816 0.612 CB 1.156 50 residues pruned to eliminate duplicates Z: 21 25.119 2.030 0.496 0.728 0.950 0.750 CA 1.586 21 residues pruned to eliminate duplicates Z: 11 24.649 1.995 0.870 0.914 1.000 1.000 CB 1.478 11 residues pruned to eliminate duplicates Z: 13 14.903 1.893 0.523 0.835 0.833 0.667 CA 1.342 13 residues pruned to eliminate duplicates Z: 22 21.781 1.887 0.291 0.916 1.000 1.000 CB 1.378 22 residues pruned to eliminate duplicates Z: 6 4.636 1.763 0.853 0.535 0.600 0.600 CB 1.021 6 residues pruned to eliminate duplicates Z: 30 21.840 1.935 0.675 0.620 0.793 0.517 CB 1.409 30 residues pruned to eliminate duplicates Z: 40 29.929 1.950 0.748 0.539 0.974 0.487 CB 1.389 40 residues pruned to eliminate duplicates Z: 10 17.943 1.773 0.867 0.899 1.000 0.778 CB 1.292 6 1.304 1.372 0.124 0.527 0.600 0.600 CB 0.614 ? Z: 25 33.506 2.037 0.880 0.923 0.917 0.375 CB 1.370 25 residues pruned to eliminate duplicates Z: 15 12.941 2.113 0.552 0.276 0.786 0.500 CB 1.730 15 residues pruned to eliminate duplicates Z: 17 25.389 1.865 0.740 0.818 1.000 0.562 CB 1.484 18 residues pruned to eliminate duplicates Z: 16 16.772 1.791 0.550 0.893 0.867 0.333 CB 1.292 16 residues pruned to eliminate duplicates Z: 6 9.711 1.856 0.575 0.808 1.000 0.600 CB 1.136 6 residues pruned to eliminate duplicates Z: 29 27.533 1.967 0.424 0.673 0.964 0.643 CA 1.641 27 residues pruned to eliminate duplicates Z: 12 20.345 1.995 0.572 0.848 1.000 0.455 CB 1.451 12 residues pruned to eliminate duplicates Z: 46 30.034 2.007 0.635 0.554 0.956 0.667 CB 1.355 46 residues pruned to eliminate duplicates Z: 8 4.256 1.558 0.790 0.331 0.714 0.429 CB 0.972 Z: 48 27.156 1.987 0.702 0.505 0.872 0.532 CB 1.336 48 residues pruned to eliminate duplicates Z: 10 7.572 1.616 0.395 0.775 1.000 0.444 CB 0.878 10 residues pruned to eliminate duplicates Z: 21 16.008 2.145 0.471 0.346 0.900 0.400 CB 1.490 21 residues pruned to eliminate duplicates Z: 9 15.885 1.858 0.501 0.897 1.000 1.000 CA 1.441 9 residues pruned to eliminate duplicates Z: 9 4.600 1.674 0.170 0.434 0.750 0.625 N 1.185 Z: 40 24.670 1.935 0.635 0.552 0.872 0.564 CB 1.362 58 residues pruned to eliminate duplicates Z: 7 5.398 1.694 0.031 0.707 0.833 0.500 CB 1.254 7 residues pruned to eliminate duplicates Z: 23 36.942 2.005 1.024 0.862 0.955 0.636 CB 1.492 23 residues pruned to eliminate duplicates Z: 24 26.148 1.904 0.681 0.843 0.913 0.696 CB 1.389 24 residues pruned to eliminate duplicates Z: 18 7.601 1.498 0.478 0.636 0.706 0.471 CB 1.039 Z: 16 24.452 2.000 0.511 0.870 0.933 0.800 CB 1.635 16 residues pruned to eliminate duplicates Z: 13 8.710 1.600 0.476 0.827 0.833 0.417 CB 0.963 13 residues pruned to eliminate duplicates Z: 8 9.743 1.783 0.602 0.785 0.714 0.571 CB 1.405 8 residues pruned to eliminate duplicates Z: 30 46.728 2.046 1.156 0.930 0.931 0.552 CB 1.478 29 residues pruned to eliminate duplicates Z: 9 14.021 1.904 0.347 0.882 1.000 0.750 CB 1.399 9 residues pruned to eliminate duplicates Z: 28 25.213 1.936 0.555 0.640 0.926 0.704 CB 1.527 28 residues pruned to eliminate duplicates Z: 27 27.632 1.951 0.599 0.808 0.885 0.577 CB 1.501 27 residues pruned to eliminate duplicates Z: 11 9.510 1.744 0.319 0.789 0.800 0.600 CB 1.268 11 residues pruned to eliminate duplicates Z: 7 8.581 1.717 0.183 0.813 1.000 1.000 CB 1.313 Z: 25 9.146 1.865 0.439 0.395 0.792 0.500 CB 0.982 25 residues pruned to eliminate duplicates Z: 18 14.051 2.037 0.905 0.337 0.882 0.529 CB 1.189 18 residues pruned to eliminate duplicates Z: 17 26.685 1.952 0.745 0.841 1.000 0.625 CA 1.461 17 residues pruned to eliminate duplicates Z: 32 46.518 2.133 0.851 0.916 0.968 0.871 CB 1.545 32 residues pruned to eliminate duplicates Z: 10 9.580 1.615 0.310 0.880 0.889 0.889 CB 1.231 10 residues pruned to eliminate duplicates Z: 8 2.862 1.575 -0.146 0.396 0.857 0.714 CB 1.048 Z: 23 19.717 1.893 0.629 0.591 0.864 0.591 CB 1.447 22 residues pruned to eliminate duplicates Z: 22 24.766 2.001 0.667 0.728 0.905 0.714 CB 1.458 22 residues pruned to eliminate duplicates Z: 21 33.719 2.033 0.977 0.776 0.900 0.500 CB 1.634 21 residues pruned to eliminate duplicates Z: 14 13.501 1.635 0.519 0.768 0.923 0.385 CB 1.288 12 residues pruned to eliminate duplicates Z: 45 51.612 2.220 0.705 0.833 0.932 0.886 CB 1.655 45 residues pruned to eliminate duplicates Z: 15 22.537 1.992 0.674 0.864 0.929 0.643 CB 1.426 15 residues pruned to eliminate duplicates Z: 8 3.970 1.521 -0.005 0.305 1.000 0.429 CB 1.231 Z: 7 4.790 1.624 0.060 0.669 0.833 0.833 N 1.166 Z: 12 10.890 1.995 0.055 0.805 0.909 0.818 CB 1.315 12 residues pruned to eliminate duplicates Z: 18 29.933 1.955 1.044 0.887 0.824 0.294 CB 1.590 18 residues pruned to eliminate duplicates Z: 22 16.970 1.742 0.691 0.763 0.905 0.619 CB 1.100 6 residues pruned to eliminate duplicates Z: 30 21.370 1.980 0.496 0.563 0.862 0.517 CB 1.462 30 residues pruned to eliminate duplicates Z: 10 14.865 1.980 0.853 0.493 0.889 0.667 CA 1.530 10 residues pruned to eliminate duplicates Z: 6 9.333 1.772 0.712 0.647 0.800 0.800 CB 1.499 Z: 8 13.247 2.175 0.051 0.887 1.000 1.000 CB 1.579 8 residues pruned to eliminate duplicates Z: 48 27.493 1.950 0.542 0.511 0.957 0.596 CB 1.377 48 residues pruned to eliminate duplicates Z: 33 28.536 2.017 0.648 0.597 0.938 0.531 CB 1.476 33 residues pruned to eliminate duplicates Z: 11 5.013 1.618 0.364 0.317 0.900 0.500 CB 0.978 8 residues pruned to eliminate duplicates Z: 6 2.105 1.311 0.361 0.493 0.600 0.600 O 0.886 5 residues pruned to eliminate duplicates Z: 22 23.360 1.933 0.413 0.753 0.952 0.762 CB 1.564 22 residues pruned to eliminate duplicates Z: 11 18.807 2.190 0.514 0.775 0.900 0.800 CA 1.564 11 residues pruned to eliminate duplicates Z: 13 22.710 1.841 0.782 0.902 1.000 0.667 CB 1.425 13 residues pruned to eliminate duplicates Z: 25 25.343 2.039 0.729 0.650 0.875 0.750 CB 1.458 25 residues pruned to eliminate duplicates Z: 9 17.993 1.806 0.683 0.855 1.000 0.875 CA 1.545 9 residues pruned to eliminate duplicates Z: 10 20.580 2.211 0.536 0.902 1.000 0.889 CA 1.440 10 residues pruned to eliminate duplicates Z: 23 19.197 2.131 0.670 0.301 0.909 0.545 CB 1.579 23 residues pruned to eliminate duplicates Z: 7 14.314 1.802 0.861 0.663 1.000 1.000 CA 1.499 9 residues pruned to eliminate duplicates Z: 8 8.350 1.736 0.181 0.601 1.000 0.714 CB 1.399 7 residues pruned to eliminate duplicates Z: 17 19.901 1.854 0.265 0.917 1.000 0.938 CB 1.497 17 residues pruned to eliminate duplicates Z: 14 19.668 1.899 0.494 0.910 1.000 0.846 CB 1.363 14 residues pruned to eliminate duplicates Z: 12 26.778 2.323 0.520 0.877 1.000 0.818 CA 1.660 12 residues pruned to eliminate duplicates Z: 29 39.085 1.980 0.896 0.906 0.893 0.607 CB 1.568 29 residues pruned to eliminate duplicates Z: 58 46.043 2.053 0.784 0.679 0.895 0.754 CB 1.578 58 residues pruned to eliminate duplicates Z: 9 6.789 1.648 0.347 0.396 0.875 0.750 CB 1.380 6 residues pruned to eliminate duplicates Z: 21 12.700 1.872 0.447 0.454 0.850 0.600 CB 1.292 21 residues pruned to eliminate duplicates Z: 23 22.555 2.006 0.535 0.617 0.909 0.773 CB 1.538 23 residues pruned to eliminate duplicates Z: 23 29.786 1.957 0.598 0.891 0.955 0.591 CB 1.530 23 residues pruned to eliminate duplicates Z: 7 5.802 1.513 0.488 0.802 0.833 0.333 O 0.969 6 residues pruned to eliminate duplicates Z: 11 11.569 1.816 0.233 0.855 0.900 0.600 CB 1.341 11 residues pruned to eliminate duplicates Z: 15 20.566 1.965 0.519 0.852 1.000 0.857 CB 1.363 14 residues pruned to eliminate duplicates Z: 21 22.040 2.147 0.509 0.563 0.900 0.400 CB 1.589 21 residues pruned to eliminate duplicates Z: 9 12.946 1.949 0.831 0.731 0.875 0.875 CB 1.190 9 residues pruned to eliminate duplicates Z: 10 3.049 1.547 0.234 0.509 0.667 0.333 CB 0.792 Z: 10 5.061 1.638 0.566 0.435 0.778 0.556 CB 0.904 Z: 13 9.953 1.737 0.123 0.811 0.833 0.833 CB 1.348 14 residues pruned to eliminate duplicates Z: 7 2.948 1.277 0.718 0.348 0.833 0.500 CB 0.776 Z: 7 4.274 1.510 0.603 0.536 1.000 0.667 CB 0.695 Z: 6 4.895 1.646 0.447 0.493 0.800 0.600 CB 1.158 6 residues pruned to eliminate duplicates Z: 8 18.002 1.795 0.882 0.826 1.000 0.714 O 1.518 8 residues pruned to eliminate duplicates Z: 13 18.799 1.990 0.685 0.803 1.000 0.750 CA 1.242 13 residues pruned to eliminate duplicates Z: 29 34.241 1.915 1.005 0.927 0.857 0.357 CB 1.378 29 residues pruned to eliminate duplicates Z: 7 5.636 1.666 0.178 0.616 0.833 0.500 CB 1.260 6 residues pruned to eliminate duplicates Z: 15 34.164 2.090 0.925 0.931 1.000 0.929 CA 1.586 15 residues pruned to eliminate duplicates 7 1.786 1.671 -0.132 0.247 0.667 0.500 CA 1.009 ? Z: 19 13.514 1.777 0.204 0.745 1.000 0.833 CB 1.195 19 residues pruned to eliminate duplicates Z: 8 2.032 1.701 0.033 0.314 0.714 0.571 CB 0.752 8 residues pruned to eliminate duplicates Z: 13 29.825 2.102 1.009 0.857 1.000 0.750 CB 1.503 13 residues pruned to eliminate duplicates Z: 32 34.224 2.090 0.350 0.919 1.000 0.871 CA 1.536 32 residues pruned to eliminate duplicates Z: 11 8.892 1.729 0.178 0.807 0.900 0.700 CA 1.173 11 residues pruned to eliminate duplicates Z: 30 42.744 2.256 1.134 0.620 0.966 0.621 CB 1.525 30 residues pruned to eliminate duplicates Z: 29 41.796 1.942 0.993 0.911 0.964 0.750 CB 1.500 29 residues pruned to eliminate duplicates Z: 12 4.586 1.609 0.521 0.175 0.636 0.455 CA 1.315 12 residues pruned to eliminate duplicates Z: 13 13.867 1.756 0.257 0.878 0.917 0.917 O 1.436 13 residues pruned to eliminate duplicates Z: 7 10.758 2.060 0.135 0.702 1.000 0.833 CB 1.562 7 residues pruned to eliminate duplicates Z: 7 9.729 1.687 1.004 0.660 1.000 0.667 CA 1.013 Z: 8 7.307 1.528 0.291 0.843 1.000 1.000 CB 1.043 Z: 9 16.723 1.861 0.705 0.806 0.875 0.625 CB 1.631 9 residues pruned to eliminate duplicates Z: 9 3.917 1.773 0.141 0.309 0.750 0.625 CA 1.128 9 residues pruned to eliminate duplicates Z: 28 33.559 2.053 1.001 0.586 0.926 0.667 CB 1.563 28 residues pruned to eliminate duplicates Z: 7 4.235 1.622 0.796 0.442 0.667 0.333 CA 0.945 7 residues pruned to eliminate duplicates Z: 12 8.263 1.491 0.511 0.629 0.818 0.545 CB 1.197 13 residues pruned to eliminate duplicates Z: 25 34.251 1.960 0.983 0.925 0.917 0.500 CB 1.378 25 residues pruned to eliminate duplicates Z: 14 16.443 1.687 0.898 0.926 1.000 0.385 CB 0.999 14 residues pruned to eliminate duplicates Z: 12 15.934 1.784 0.422 0.882 1.000 0.727 CB 1.370 14 residues pruned to eliminate duplicates Z: 11 4.864 1.618 0.910 0.247 0.900 0.400 CB 0.741 11 residues pruned to eliminate duplicates Z: 6 3.310 1.538 0.049 0.342 1.000 0.600 CB 1.089 Z: 9 4.164 1.438 0.202 0.509 1.000 0.375 CB 0.844 9 residues pruned to eliminate duplicates Z: 12 16.439 2.117 0.313 0.771 0.909 0.818 CB 1.544 12 residues pruned to eliminate duplicates Z: 70 50.156 2.210 0.689 0.618 0.928 0.652 CB 1.560 70 residues pruned to eliminate duplicates Z: 11 16.768 1.886 0.682 0.872 0.900 0.700 CB 1.354 11 residues pruned to eliminate duplicates Z: 10 20.204 2.357 0.292 0.809 1.000 0.889 CB 1.688 10 residues pruned to eliminate duplicates Z: 6 8.411 1.986 0.320 0.765 0.800 0.600 CB 1.418 6 residues pruned to eliminate duplicates Z: 14 25.795 1.934 0.708 0.926 1.000 0.692 CB 1.519 14 residues pruned to eliminate duplicates Z: 31 22.005 1.779 0.625 0.796 0.800 0.533 CB 1.340 31 residues pruned to eliminate duplicates Z: 39 35.654 2.016 0.718 0.708 0.868 0.763 CA 1.592 39 residues pruned to eliminate duplicates Z: 11 10.687 1.559 0.659 0.873 1.000 0.600 CB 0.952 9 residues pruned to eliminate duplicates Z: 12 13.654 1.847 0.389 0.911 1.000 0.636 CB 1.138 12 residues pruned to eliminate duplicates Z: 17 28.999 2.008 0.689 0.892 1.000 0.812 CB 1.536 17 residues pruned to eliminate duplicates Z: 15 8.253 1.914 0.334 0.442 0.929 0.571 CB 0.988 15 residues pruned to eliminate duplicates Z: 9 5.068 1.397 0.377 0.494 1.000 0.625 CB 0.937 Z: 28 34.766 2.004 0.615 0.914 0.963 0.889 CA 1.519 28 residues pruned to eliminate duplicates Z: 36 26.535 2.170 0.570 0.484 0.886 0.686 CB 1.510 35 residues pruned to eliminate duplicates Z: 6 2.149 1.314 0.482 0.468 0.800 0.800 CB 0.637 Z: 59 59.559 2.113 1.078 0.711 0.914 0.690 CB 1.610 59 residues pruned to eliminate duplicates Z: 6 5.802 1.439 0.377 0.724 1.000 0.800 CB 1.069 Z: 12 7.282 1.792 0.338 0.431 0.818 0.636 CB 1.203 12 residues pruned to eliminate duplicates Z: 51 36.712 2.186 0.760 0.499 0.880 0.480 CB 1.535 51 residues pruned to eliminate duplicates Z: 23 39.315 2.171 1.208 0.671 0.909 0.636 CA 1.643 23 residues pruned to eliminate duplicates Z: 8 5.949 1.917 0.662 0.476 0.714 0.714 CB 1.013 Z: 6 3.789 1.523 0.655 0.395 0.600 0.400 CB 1.252 6 residues pruned to eliminate duplicates Z: 7 2.871 1.562 0.723 0.263 0.667 0.167 CB 0.856 Z: 11 2.538 1.655 0.241 0.254 0.600 0.500 CB 0.865 Z: 11 20.727 2.016 0.693 0.925 1.000 0.800 CB 1.347 11 residues pruned to eliminate duplicates Z: 21 19.773 1.789 0.821 0.886 0.900 0.250 CB 1.088 21 residues pruned to eliminate duplicates Z: 17 7.517 1.631 0.282 0.337 0.812 0.438 CB 1.322 17 residues pruned to eliminate duplicates Z: 14 27.163 1.847 0.907 0.920 1.000 0.769 CA 1.506 14 residues pruned to eliminate duplicates Z: 13 21.400 1.856 0.723 0.803 1.000 0.750 CA 1.482 13 residues pruned to eliminate duplicates Z: 12 7.066 1.620 0.474 0.384 0.909 0.545 CB 1.109 12 residues pruned to eliminate duplicates Z: 8 2.138 1.313 -0.048 0.513 0.857 0.571 N 0.744 8 residues pruned to eliminate duplicates Z: 34 24.897 1.856 0.583 0.708 0.879 0.667 CB 1.390 34 residues pruned to eliminate duplicates 6 1.076 1.495 -0.162 0.296 0.600 0.400 CA 0.805 ? Z: 8 11.580 1.778 0.283 0.868 1.000 0.857 CA 1.403 8 residues pruned to eliminate duplicates Z: 6 6.325 1.656 0.647 0.699 0.800 0.600 CA 1.081 6 residues pruned to eliminate duplicates Z: 7 4.657 1.724 0.714 0.350 0.833 0.833 CB 0.908 Z: 18 15.909 1.726 0.408 0.894 0.941 0.824 CB 1.210 18 residues pruned to eliminate duplicates Z: 53 39.219 2.235 0.826 0.414 0.904 0.654 CB 1.615 53 residues pruned to eliminate duplicates Z: 7 7.177 1.546 0.415 0.602 1.000 0.333 CA 1.215 7 residues pruned to eliminate duplicates Z: 7 15.924 1.901 0.643 0.850 1.000 0.500 CB 1.542 7 residues pruned to eliminate duplicates Z: 34 29.347 1.974 0.707 0.751 0.909 0.697 CB 1.333 33 residues pruned to eliminate duplicates Z: 14 13.262 1.791 0.208 0.901 1.000 0.923 CB 1.213 14 residues pruned to eliminate duplicates Z: 23 20.017 1.747 0.750 0.927 0.864 0.591 CB 1.133 23 residues pruned to eliminate duplicates Z: 44 28.886 2.128 0.735 0.459 0.837 0.395 CB 1.487 44 residues pruned to eliminate duplicates Z: 29 19.971 1.992 0.610 0.511 0.857 0.607 CB 1.358 29 residues pruned to eliminate duplicates Z: 17 26.571 1.993 0.518 0.881 1.000 0.750 CA 1.589 17 residues pruned to eliminate duplicates Z: 29 15.675 1.920 0.603 0.421 0.821 0.536 CB 1.272 29 residues pruned to eliminate duplicates Z: 15 19.149 1.845 0.566 0.922 1.000 0.714 CB 1.246 14 residues pruned to eliminate duplicates Z: 16 23.745 2.073 0.380 0.864 1.000 0.733 CA 1.571 16 residues pruned to eliminate duplicates Z: 8 21.866 2.041 0.837 0.810 1.000 0.571 CB 1.683 16 residues pruned to eliminate duplicates Z: 13 24.295 1.899 0.850 0.918 1.000 0.917 CA 1.407 13 residues pruned to eliminate duplicates Z: 9 8.739 1.809 0.364 0.459 1.000 0.625 CB 1.304 9 residues pruned to eliminate duplicates Z: 8 4.765 1.491 0.214 0.364 1.000 0.286 N 1.152 8 residues pruned to eliminate duplicates Z: 9 2.259 1.340 0.643 0.193 0.750 0.250 CB 0.698 Z: 29 37.558 1.926 0.893 0.923 0.893 0.464 CB 1.532 29 residues pruned to eliminate duplicates Z: 10 4.091 1.436 0.318 0.427 0.667 0.556 N 1.165 10 residues pruned to eliminate duplicates Z: 21 27.542 2.048 0.791 0.736 0.900 0.650 CB 1.510 21 residues pruned to eliminate duplicates Z: 26 14.932 2.000 0.447 0.496 0.800 0.640 CB 1.296 26 residues pruned to eliminate duplicates Z: 10 3.289 1.496 0.216 0.250 1.000 0.556 CB 0.803 10 residues pruned to eliminate duplicates Z: 7 2.877 1.296 0.135 0.365 0.833 0.667 O 1.108 Z: 12 16.117 1.792 0.682 0.777 0.909 0.545 CB 1.388 12 residues pruned to eliminate duplicates Z: 14 15.935 1.891 0.290 0.907 1.000 0.769 CB 1.288 14 residues pruned to eliminate duplicates Z: 20 19.625 1.782 0.678 0.792 0.947 0.632 CB 1.230 20 residues pruned to eliminate duplicates Z: 7 5.690 1.873 0.530 0.631 1.000 0.833 CB 0.716 Z: 12 2.385 1.577 0.460 0.150 0.455 0.273 N 1.058 6 residues pruned to eliminate duplicates Z: 8 18.307 1.778 0.850 0.850 1.000 0.571 N 1.557 8 residues pruned to eliminate duplicates Z: 9 8.354 1.826 0.593 0.401 0.875 0.500 CA 1.289 9 residues pruned to eliminate duplicates Z: 28 48.492 2.073 1.224 0.953 0.963 0.704 CB 1.446 28 residues pruned to eliminate duplicates Z: 13 17.268 1.958 0.339 0.897 1.000 0.917 CA 1.361 13 residues pruned to eliminate duplicates Z: 33 21.210 1.902 0.474 0.550 0.875 0.531 CB 1.456 33 residues pruned to eliminate duplicates Z: 11 14.741 1.772 0.442 0.885 1.000 0.800 CB 1.317 11 residues pruned to eliminate duplicates Z: 12 13.426 1.544 0.452 0.896 1.000 0.727 O 1.294 8 residues pruned to eliminate duplicates Z: 14 21.669 1.891 0.643 0.895 1.000 0.846 CB 1.387 14 residues pruned to eliminate duplicates Z: 6 2.163 1.527 1.033 0.293 0.400 0.400 O 0.982 Z: 15 7.663 1.744 0.412 0.553 0.786 0.500 CB 1.005 15 residues pruned to eliminate duplicates Z: 8 19.321 1.982 0.679 0.819 1.000 0.714 CB 1.664 8 residues pruned to eliminate duplicates Z: 9 13.534 2.030 0.830 0.535 0.875 0.750 CA 1.423 9 residues pruned to eliminate duplicates Z: 11 22.902 2.028 0.813 0.920 1.000 0.900 CB 1.387 11 residues pruned to eliminate duplicates Z: 15 24.149 2.087 0.834 0.524 1.000 0.643 CA 1.647 15 residues pruned to eliminate duplicates Z: 13 19.945 2.000 0.529 0.848 1.000 0.750 CB 1.397 13 residues pruned to eliminate duplicates Z: 15 5.463 1.627 0.297 0.352 0.857 0.429 CB 0.947 Z: 6 3.868 1.423 0.440 0.430 0.800 0.400 N 1.134 Z: 12 14.584 1.948 0.814 0.520 0.909 0.727 CB 1.342 12 residues pruned to eliminate duplicates Z: 11 9.851 1.566 1.059 0.566 0.900 0.700 CB 1.007 11 residues pruned to eliminate duplicates Z: 52 22.601 1.910 0.599 0.465 0.882 0.588 CB 1.217 52 residues pruned to eliminate duplicates Z: 46 25.427 1.934 0.517 0.542 0.911 0.578 CB 1.360 46 residues pruned to eliminate duplicates Z: 17 23.906 2.070 0.647 0.697 0.938 0.750 CA 1.561 17 residues pruned to eliminate duplicates Z: 11 8.062 1.708 0.629 0.503 0.900 0.500 CB 1.015 11 residues pruned to eliminate duplicates Z: 20 16.632 1.670 0.554 0.911 1.000 0.684 CB 1.042 20 residues pruned to eliminate duplicates Z: 13 9.395 1.642 0.529 0.812 0.917 0.667 CB 0.898 13 residues pruned to eliminate duplicates Z: 15 14.145 2.166 0.513 0.319 0.929 0.429 CA 1.516 15 residues pruned to eliminate duplicates Z: 16 26.723 2.078 0.692 0.918 0.933 0.867 CA 1.484 16 residues pruned to eliminate duplicates Z: 13 23.129 2.154 0.667 0.828 0.917 0.583 CA 1.527 13 residues pruned to eliminate duplicates Z: 8 10.777 1.833 0.559 0.729 0.857 0.571 CB 1.354 8 residues pruned to eliminate duplicates Z: 8 7.126 1.598 0.647 0.514 0.714 0.429 CB 1.413 6 residues pruned to eliminate duplicates Z: 11 6.789 1.850 0.260 0.383 0.800 0.600 CB 1.304 11 residues pruned to eliminate duplicates Z: 11 5.395 1.589 0.483 0.315 0.900 0.400 CB 0.987 8 residues pruned to eliminate duplicates Z: 42 27.191 1.905 0.638 0.710 0.878 0.561 CB 1.280 38 residues pruned to eliminate duplicates Z: 14 10.510 1.763 0.042 0.882 0.923 0.846 CA 1.244 14 residues pruned to eliminate duplicates Z: 89 41.418 1.964 0.513 0.629 0.920 0.580 CB 1.429 89 residues pruned to eliminate duplicates Z: 11 14.680 1.907 0.692 0.626 0.900 0.500 CB 1.421 11 residues pruned to eliminate duplicates Z: 34 29.336 2.024 0.655 0.611 0.939 0.667 CB 1.461 34 residues pruned to eliminate duplicates Z: 11 5.506 1.479 0.164 0.499 0.900 0.600 CB 1.125 11 residues pruned to eliminate duplicates Z: 38 28.565 2.275 0.569 0.407 0.919 0.459 CB 1.579 38 residues pruned to eliminate duplicates Z: 21 17.324 1.698 0.367 0.915 0.950 0.800 CB 1.242 21 residues pruned to eliminate duplicates Z: 19 16.806 1.960 0.667 0.443 0.889 0.722 CB 1.446 19 residues pruned to eliminate duplicates Z: 18 24.565 1.876 0.538 0.888 1.000 0.824 CA 1.488 18 residues pruned to eliminate duplicates Z: 29 39.296 2.046 0.663 0.929 1.000 0.929 CB 1.527 29 residues pruned to eliminate duplicates Z: 12 7.531 1.677 0.381 0.327 1.000 0.545 CB 1.186 11 residues pruned to eliminate duplicates Z: 14 9.501 1.601 0.062 0.786 0.923 0.692 CB 1.305 14 residues pruned to eliminate duplicates Z: 7 7.422 1.607 0.334 0.852 1.000 1.000 CB 1.045 7 residues pruned to eliminate duplicates Z: 12 18.601 2.000 0.263 0.877 1.000 0.545 CA 1.613 12 residues pruned to eliminate duplicates Z: 12 27.672 1.931 0.889 0.931 1.000 0.909 CA 1.599 13 residues pruned to eliminate duplicates Z: 21 20.944 2.008 0.647 0.665 0.950 0.650 CB 1.279 21 residues pruned to eliminate duplicates Z: 10 4.012 1.813 0.078 0.312 0.778 0.333 CB 1.083 10 residues pruned to eliminate duplicates Z: 9 5.473 1.615 0.433 0.318 0.750 0.375 O 1.362 8 residues pruned to eliminate duplicates Z: 12 13.342 1.722 0.182 0.897 1.000 0.818 CB 1.415 11 residues pruned to eliminate duplicates Z: 46 24.865 1.938 0.597 0.523 0.867 0.600 CB 1.350 47 residues pruned to eliminate duplicates Z: 67 51.513 2.167 0.677 0.628 0.955 0.727 CA 1.620 67 residues pruned to eliminate duplicates Z: 19 16.481 1.820 0.380 0.777 0.889 0.778 CB 1.363 19 residues pruned to eliminate duplicates Z: 27 30.681 2.056 0.635 0.726 0.962 0.923 CB 1.519 27 residues pruned to eliminate duplicates Z: 9 2.873 1.583 0.340 0.251 0.750 0.375 CB 0.850 9 residues pruned to eliminate duplicates Z: 8 2.632 1.463 0.385 0.263 0.714 0.429 CB 0.902 Z: 14 16.728 2.117 0.624 0.612 0.846 0.692 CA 1.434 14 residues pruned to eliminate duplicates Z: 10 3.476 1.649 0.304 0.257 0.778 0.556 CB 0.915 Z: 21 15.667 1.682 0.628 0.873 0.950 0.450 CB 0.981 21 residues pruned to eliminate duplicates Z: 25 32.902 1.897 0.855 0.921 0.958 0.708 CB 1.401 25 residues pruned to eliminate duplicates Z: 11 15.009 1.896 0.714 0.882 0.900 0.600 CB 1.174 11 residues pruned to eliminate duplicates Z: 9 10.053 1.804 0.297 0.737 0.875 0.500 CA 1.404 9 residues pruned to eliminate duplicates Z: 10 4.072 1.723 0.141 0.362 0.667 0.444 CB 1.201 10 residues pruned to eliminate duplicates Z: 6 2.576 1.404 0.512 0.295 0.800 0.600 N 0.853 Z: 36 20.104 1.766 0.629 0.686 0.886 0.457 CB 1.124 36 residues pruned to eliminate duplicates Z: 43 33.276 1.997 0.769 0.697 0.857 0.500 CB 1.417 43 residues pruned to eliminate duplicates Z: 24 25.424 1.885 0.545 0.816 0.957 0.696 CB 1.446 24 residues pruned to eliminate duplicates Z: 9 10.423 1.910 0.298 0.796 0.875 0.750 CA 1.311 9 residues pruned to eliminate duplicates Z: 31 54.303 2.206 1.091 0.940 0.967 0.533 CB 1.544 31 residues pruned to eliminate duplicates Z: 6 8.422 1.837 0.152 0.740 1.000 1.000 CB 1.435 8 residues pruned to eliminate duplicates Z: 23 19.732 1.758 0.253 0.926 1.000 1.000 CB 1.340 23 residues pruned to eliminate duplicates Z: 43 25.869 1.907 0.580 0.541 0.952 0.405 CB 1.336 43 residues pruned to eliminate duplicates Z: 16 18.012 1.916 0.450 0.889 1.000 0.600 CB 1.205 16 residues pruned to eliminate duplicates Z: 33 23.018 1.845 0.706 0.718 0.875 0.500 CB 1.213 33 residues pruned to eliminate duplicates Z: 51 33.422 2.156 0.757 0.517 0.860 0.460 CB 1.427 51 residues pruned to eliminate duplicates Z: 16 20.095 1.770 0.770 0.908 1.000 0.800 CB 1.176 16 residues pruned to eliminate duplicates Z: 20 35.627 2.286 1.484 0.584 0.895 0.474 CB 1.483 20 residues pruned to eliminate duplicates Z: 11 13.162 2.081 0.336 0.871 0.900 0.600 CA 1.213 11 residues pruned to eliminate duplicates Z: 32 24.582 1.961 0.647 0.573 0.903 0.581 CB 1.411 32 residues pruned to eliminate duplicates Z: 9 7.227 2.062 0.294 0.223 0.875 0.500 CB 1.514 9 residues pruned to eliminate duplicates Z: 18 14.803 1.829 0.555 0.747 0.824 0.353 CB 1.230 18 residues pruned to eliminate duplicates Z: 11 10.150 1.965 0.329 0.575 0.800 0.700 CB 1.429 11 residues pruned to eliminate duplicates Z: 7 10.283 1.544 0.634 0.850 1.000 0.500 CB 1.233 8 residues pruned to eliminate duplicates Z: 14 15.809 1.909 0.231 0.892 1.000 0.846 CB 1.341 14 residues pruned to eliminate duplicates Z: 63 27.577 1.985 0.702 0.490 0.871 0.645 CB 1.202 63 residues pruned to eliminate duplicates Z: 20 16.795 2.166 0.580 0.357 0.842 0.526 CB 1.559 20 residues pruned to eliminate duplicates Z: 18 9.264 1.441 0.537 0.561 0.882 0.471 CB 1.083 18 residues pruned to eliminate duplicates Z: 34 22.720 1.951 0.481 0.596 0.848 0.727 CA 1.471 34 residues pruned to eliminate duplicates Z: 20 16.395 1.690 0.568 0.942 0.947 0.737 CB 1.038 20 residues pruned to eliminate duplicates Z: 12 20.793 1.951 0.590 0.887 1.000 0.636 CB 1.457 12 residues pruned to eliminate duplicates Z: 8 2.545 1.481 0.071 0.339 0.714 0.286 N 1.012 Z: 21 20.316 1.856 0.342 0.772 0.900 0.850 CB 1.593 21 residues pruned to eliminate duplicates Z: 6 7.100 1.745 0.177 0.841 1.000 0.600 CB 1.152 6 residues pruned to eliminate duplicates Z: 13 13.473 1.492 0.741 0.890 1.000 0.917 CB 1.077 12 residues pruned to eliminate duplicates Z: 18 12.690 1.866 0.643 0.573 0.882 0.647 CB 1.060 18 residues pruned to eliminate duplicates Z: 27 28.838 1.904 0.633 0.784 0.962 0.731 CB 1.474 27 residues pruned to eliminate duplicates Z: 14 4.076 1.526 0.224 0.354 0.769 0.692 CB 0.921 Z: 30 23.196 2.078 0.797 0.303 0.931 0.483 CA 1.543 30 residues pruned to eliminate duplicates Z: 10 13.981 1.901 0.795 0.907 0.889 0.333 CB 1.093 10 residues pruned to eliminate duplicates Z: 9 13.652 1.747 0.596 0.875 1.000 0.875 CA 1.259 9 residues pruned to eliminate duplicates Z: 14 16.586 1.893 0.477 0.925 0.923 0.923 CB 1.251 14 residues pruned to eliminate duplicates Z: 7 3.909 1.441 1.041 0.249 0.833 0.333 CB 0.870 Z: 9 19.861 2.075 0.717 0.901 1.000 0.625 CB 1.407 9 residues pruned to eliminate duplicates Z: 20 35.277 2.069 1.097 0.862 0.895 0.579 CB 1.531 20 residues pruned to eliminate duplicates Z: 9 7.025 1.438 0.437 0.730 0.875 0.750 CA 1.117 9 residues pruned to eliminate duplicates Z: 11 10.192 1.491 0.385 0.893 1.000 0.900 CB 1.120 11 residues pruned to eliminate duplicates Z: 18 14.845 1.983 0.413 0.445 0.882 0.706 CB 1.541 18 residues pruned to eliminate duplicates Z: 6 4.056 1.336 0.534 0.469 1.000 0.600 CB 0.914 Z: 21 11.363 1.805 0.384 0.496 0.800 0.450 CB 1.277 21 residues pruned to eliminate duplicates Z: 16 9.600 1.667 0.321 0.491 0.933 0.600 CB 1.216 11 residues pruned to eliminate duplicates Z: 19 28.326 2.147 1.381 0.672 0.889 0.556 CB 1.253 19 residues pruned to eliminate duplicates Z: 22 21.185 2.117 0.550 0.547 0.905 0.571 CB 1.488 22 residues pruned to eliminate duplicates Z: 12 10.547 1.901 0.546 0.520 1.000 0.545 CB 1.062 12 residues pruned to eliminate duplicates Z: 31 25.116 2.044 0.663 0.610 0.900 0.633 CB 1.351 31 residues pruned to eliminate duplicates Z: 17 22.197 1.923 0.703 0.678 0.938 0.688 CB 1.534 17 residues pruned to eliminate duplicates Z: 7 4.569 1.455 0.456 0.527 0.833 0.667 CB 1.028 Z: 10 13.714 1.632 0.854 0.785 0.889 0.556 O 1.322 10 residues pruned to eliminate duplicates Z: 40 23.696 1.954 0.635 0.559 0.846 0.513 CB 1.325 40 residues pruned to eliminate duplicates Z: 7 7.985 1.715 0.531 0.606 1.000 0.667 CB 1.123 Z: 20 29.706 2.032 0.642 0.871 0.947 0.632 CB 1.574 20 residues pruned to eliminate duplicates Z: 17 11.769 1.839 0.545 0.553 0.812 0.625 CB 1.211 17 residues pruned to eliminate duplicates Z: 51 27.182 1.939 0.513 0.518 0.900 0.460 CB 1.429 51 residues pruned to eliminate duplicates Z: 11 20.730 2.045 0.663 0.660 1.000 0.900 CA 1.662 8 residues pruned to eliminate duplicates Z: 6 2.658 1.499 0.036 0.461 0.800 0.800 CB 0.996 Z: 8 3.391 1.598 0.173 0.304 0.714 0.286 CB 1.191 Z: 9 7.538 1.732 0.217 0.566 1.000 0.625 O 1.186 Z: 9 6.591 1.528 0.425 0.862 0.750 0.625 CB 1.047 9 residues pruned to eliminate duplicates Z: 6 4.127 1.483 -0.163 0.766 1.000 1.000 CB 1.175 6 residues pruned to eliminate duplicates Z: 12 9.606 1.796 0.300 0.513 0.909 0.727 CB 1.348 12 residues pruned to eliminate duplicates Z: 17 26.776 1.986 0.905 0.795 0.938 0.562 CB 1.457 17 residues pruned to eliminate duplicates Z: 11 7.457 1.701 0.420 0.405 1.000 0.500 CB 1.078 10 residues pruned to eliminate duplicates Z: 11 15.207 1.817 0.441 0.851 1.000 0.600 CB 1.359 12 residues pruned to eliminate duplicates Z: 11 12.053 1.778 0.338 0.826 0.900 0.800 CB 1.343 11 residues pruned to eliminate duplicates Z: 11 14.790 1.786 0.389 0.897 1.000 0.800 CB 1.349 11 residues pruned to eliminate duplicates Z: 6 6.321 1.772 0.556 0.597 1.000 0.800 CB 0.935 6 residues pruned to eliminate duplicates Z: 10 11.549 1.968 0.502 0.517 0.889 0.778 CA 1.441 10 residues pruned to eliminate duplicates Z: 8 23.450 2.086 0.929 0.876 1.000 0.714 CB 1.601 8 residues pruned to eliminate duplicates Z: 17 14.000 2.012 0.520 0.507 0.938 0.625 CB 1.213 17 residues pruned to eliminate duplicates Z: 10 14.888 1.783 0.467 0.858 1.000 0.778 CB 1.397 10 residues pruned to eliminate duplicates Z: 9 9.215 1.716 0.228 0.647 1.000 0.625 CB 1.348 9 residues pruned to eliminate duplicates Z: 11 12.070 1.753 0.378 0.876 1.000 0.900 CB 1.149 11 residues pruned to eliminate duplicates Z: 14 10.594 1.662 0.418 0.827 0.846 0.692 CB 1.111 14 residues pruned to eliminate duplicates Z: 15 13.211 1.765 0.511 0.557 1.000 0.643 CB 1.253 15 residues pruned to eliminate duplicates Z: 12 2.364 1.322 0.320 0.137 0.727 0.364 CB 0.881 Z: 33 26.106 1.961 0.499 0.643 0.938 0.656 CB 1.465 34 residues pruned to eliminate duplicates Z: 8 2.536 1.542 0.769 0.210 0.714 0.286 CB 0.693 Z: 6 2.180 1.292 0.247 0.313 0.800 0.400 N 0.930 Z: 17 8.631 1.800 0.586 0.460 0.875 0.625 CB 0.899 17 residues pruned to eliminate duplicates Z: 26 24.080 1.838 0.619 0.869 0.920 0.640 CB 1.285 26 residues pruned to eliminate duplicates Z: 28 27.170 1.928 0.588 0.675 0.926 0.630 CB 1.569 28 residues pruned to eliminate duplicates Z: 8 5.788 1.503 0.695 0.781 1.000 0.714 N 0.671 6 residues pruned to eliminate duplicates Z: 16 20.271 1.797 0.758 0.808 0.933 0.533 CB 1.357 16 residues pruned to eliminate duplicates Z: 11 16.939 1.988 0.531 0.625 1.000 0.400 CB 1.565 11 residues pruned to eliminate duplicates Z: 9 14.038 1.860 0.527 0.701 1.000 0.625 CB 1.455 Z: 8 3.572 1.531 0.581 0.336 0.714 0.714 CB 0.935 Z: 16 25.668 1.836 0.742 0.894 1.000 0.600 N 1.486 16 residues pruned to eliminate duplicates Z: 15 12.221 1.853 0.760 0.690 0.786 0.429 CB 1.071 15 residues pruned to eliminate duplicates Z: 22 16.932 1.638 0.841 0.885 0.857 0.571 CB 1.032 22 residues pruned to eliminate duplicates Z: 74 39.912 1.963 0.698 0.606 0.890 0.507 CB 1.423 74 residues pruned to eliminate duplicates Z: 7 3.916 1.302 0.670 0.690 0.833 0.500 CB 0.741 Z: 41 35.238 2.021 0.693 0.683 0.900 0.750 CB 1.530 41 residues pruned to eliminate duplicates 7 1.683 1.478 0.378 0.248 0.500 0.500 N 0.902 ? Z: 9 6.102 1.937 0.134 0.301 0.875 0.500 CB 1.403 9 residues pruned to eliminate duplicates Z: 16 15.836 1.904 0.647 0.792 0.867 0.667 CB 1.165 16 residues pruned to eliminate duplicates Z: 6 4.265 1.576 0.558 0.513 1.000 0.800 CB 0.767 6 residues pruned to eliminate duplicates Z: 7 5.981 1.589 0.158 0.766 0.833 0.833 CA 1.258 7 residues pruned to eliminate duplicates Z: 16 18.332 1.873 0.418 0.853 0.933 0.800 CB 1.410 16 residues pruned to eliminate duplicates Z: 10 7.628 1.928 0.632 0.419 0.889 0.444 CB 0.989 10 residues pruned to eliminate duplicates Z: 26 19.081 1.842 0.675 0.529 0.840 0.680 CB 1.432 26 residues pruned to eliminate duplicates Z: 7 7.386 1.641 0.508 0.847 1.000 0.833 CB 0.905 7 residues pruned to eliminate duplicates Z: 7 7.526 1.663 0.201 0.818 1.000 0.667 CB 1.167 6 1.497 1.195 0.167 0.299 0.800 0.400 CB 0.751 ? Z: 6 2.698 1.216 0.363 0.564 1.000 0.800 CB 0.684 Z: 62 28.633 1.935 0.578 0.515 0.918 0.574 CB 1.288 62 residues pruned to eliminate duplicates Z: 9 11.613 2.088 0.301 0.788 1.000 0.500 CB 1.173 9 residues pruned to eliminate duplicates Z: 22 16.397 1.973 0.740 0.356 1.000 0.429 CB 1.218 22 residues pruned to eliminate duplicates Z: 15 28.555 2.138 0.664 0.906 1.000 0.786 CA 1.526 15 residues pruned to eliminate duplicates Z: 9 6.562 1.483 0.695 0.733 0.750 0.625 CB 0.998 10 residues pruned to eliminate duplicates Z: 18 10.175 1.600 0.489 0.425 0.941 0.706 CB 1.190 13 residues pruned to eliminate duplicates Z: 18 20.193 1.835 0.823 0.880 0.765 0.529 CB 1.386 18 residues pruned to eliminate duplicates Z: 67 30.631 2.054 0.509 0.445 0.894 0.485 CB 1.441 80 residues pruned to eliminate duplicates Z: 25 15.462 1.844 0.497 0.471 0.833 0.542 CB 1.413 25 residues pruned to eliminate duplicates Z: 6 2.733 1.548 0.638 0.338 0.600 0.600 CB 0.959 Z: 8 4.263 1.326 0.356 0.478 0.857 0.857 CB 1.068 Z: 8 3.093 1.263 0.350 0.350 0.857 0.429 CB 0.941 Z: 44 24.230 2.120 0.413 0.442 0.884 0.605 CB 1.482 44 residues pruned to eliminate duplicates Z: 22 18.069 1.864 0.574 0.719 0.810 0.524 CB 1.362 22 residues pruned to eliminate duplicates Z: 19 25.983 1.726 0.882 0.890 0.944 0.444 CA 1.436 19 residues pruned to eliminate duplicates 7 1.968 1.423 0.536 0.321 0.833 0.333 CB 0.538 ? Z: 18 18.116 2.035 0.865 0.567 0.941 0.529 CB 1.153 18 residues pruned to eliminate duplicates Z: 11 10.184 1.493 0.512 0.812 1.000 0.700 CB 1.087 11 residues pruned to eliminate duplicates Z: 7 9.595 1.730 0.589 0.712 1.000 0.667 CA 1.176 7 residues pruned to eliminate duplicates Z: 13 6.220 1.746 0.489 0.428 0.750 0.583 CB 0.992 13 residues pruned to eliminate duplicates Z: 22 18.596 1.671 0.486 0.907 1.000 0.762 CB 1.161 22 residues pruned to eliminate duplicates Z: 30 55.089 2.234 0.936 0.942 1.000 0.724 CB 1.641 30 residues pruned to eliminate duplicates Z: 10 9.312 1.538 0.193 0.875 1.000 0.667 CB 1.230 10 residues pruned to eliminate duplicates Z: 15 10.683 1.840 0.619 0.536 0.857 0.786 CB 1.079 15 residues pruned to eliminate duplicates Z: 6 6.422 1.586 0.729 0.681 1.000 0.800 CA 0.887 6 residues pruned to eliminate duplicates Z: 39 26.588 1.824 0.731 0.588 0.868 0.500 CB 1.445 91 residues pruned to eliminate duplicates Z: 16 27.737 2.020 0.643 0.920 1.000 0.867 CB 1.520 16 residues pruned to eliminate duplicates Z: 27 36.830 2.003 0.810 0.911 0.923 0.654 CB 1.530 27 residues pruned to eliminate duplicates Z: 24 22.090 2.176 0.857 0.345 0.870 0.565 CA 1.551 31 residues pruned to eliminate duplicates Z: 15 17.148 1.856 0.498 0.857 0.929 0.786 CB 1.308 15 residues pruned to eliminate duplicates Z: 8 6.834 1.807 0.384 0.638 1.000 0.714 CB 0.908 8 residues pruned to eliminate duplicates Z: 8 6.409 1.801 0.672 0.615 1.000 0.714 CB 0.721 Z: 29 38.994 2.028 0.963 0.927 0.893 0.536 CB 1.453 29 residues pruned to eliminate duplicates Z: 12 9.661 1.473 0.276 0.906 1.000 1.000 CB 1.102 12 residues pruned to eliminate duplicates Z: 46 28.391 2.006 0.685 0.557 0.911 0.689 CB 1.300 46 residues pruned to eliminate duplicates Z: 8 5.109 1.380 0.569 0.830 1.000 0.571 CB 0.671 8 residues pruned to eliminate duplicates Z: 9 4.113 1.844 0.509 0.230 0.750 0.500 CB 0.954 9 residues pruned to eliminate duplicates Z: 7 6.910 1.719 0.321 0.748 1.000 0.667 CB 0.995 7 residues pruned to eliminate duplicates Z: 15 14.767 1.769 0.566 0.872 0.929 0.643 CB 1.118 15 residues pruned to eliminate duplicates Z: 10 8.628 1.798 0.072 0.785 0.889 0.444 CB 1.306 11 residues pruned to eliminate duplicates Z: 17 20.961 2.047 0.410 0.920 0.875 0.750 CB 1.461 17 residues pruned to eliminate duplicates Z: 13 2.945 1.444 0.351 0.223 0.750 0.333 CB 0.804 Z: 8 13.786 2.130 0.212 0.890 1.000 1.000 CB 1.453 8 residues pruned to eliminate duplicates Z: 20 18.799 2.090 0.665 0.537 0.842 0.474 CB 1.419 19 residues pruned to eliminate duplicates Z: 94 58.768 2.158 0.817 0.612 0.925 0.645 CB 1.511 94 residues pruned to eliminate duplicates Z: 30 26.675 1.983 0.636 0.546 1.000 0.586 CB 1.460 30 residues pruned to eliminate duplicates Z: 30 16.295 1.896 0.715 0.455 0.793 0.448 CB 1.229 30 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 29 18.551 1.946 0.423 0.434 0.893 0.643 CB 1.518 Z: 6 6.192 1.577 0.897 0.261 1.000 0.400 N 1.216 6 residues pruned to eliminate duplicates Z: 13 20.247 2.072 0.885 0.570 0.917 0.417 CB 1.526 12 residues pruned to eliminate duplicates Z: 11 17.539 1.966 0.646 0.682 0.900 0.700 CB 1.611 11 residues pruned to eliminate duplicates Z: 29 20.386 1.989 0.574 0.441 0.857 0.536 CB 1.525 30 residues pruned to eliminate duplicates Z: 9 22.049 1.929 0.990 0.894 1.000 0.500 CB 1.457 9 residues pruned to eliminate duplicates Z: 24 18.660 1.966 0.588 0.440 0.957 0.609 CB 1.386 24 residues pruned to eliminate duplicates Z: 30 18.365 1.901 0.455 0.417 0.897 0.552 CB 1.500 29 residues pruned to eliminate duplicates Z: 8 20.193 1.854 1.058 0.862 1.000 0.857 N 1.468 8 residues pruned to eliminate duplicates Z: 29 21.457 1.971 0.574 0.489 0.893 0.571 CB 1.479 30 residues pruned to eliminate duplicates Z: 9 19.380 1.908 0.964 0.856 0.875 0.750 CB 1.541 9 residues pruned to eliminate duplicates Z: 24 24.102 2.032 0.721 0.463 0.913 0.609 CB 1.635 24 residues pruned to eliminate duplicates Z: 14 18.119 1.832 0.678 0.648 0.923 0.692 N 1.542 14 residues pruned to eliminate duplicates Z: 28 19.933 1.936 0.622 0.481 0.815 0.593 CB 1.529 30 residues pruned to eliminate duplicates Z: 7 4.727 1.545 0.413 0.390 0.833 0.667 N 1.192 7 residues pruned to eliminate duplicates Z: 28 22.254 1.905 0.711 0.507 0.889 0.630 CB 1.468 28 residues pruned to eliminate duplicates Z: 15 13.037 1.789 0.516 0.501 0.857 0.429 CB 1.497 15 residues pruned to eliminate duplicates Z: 17 10.179 1.593 0.402 0.421 1.000 0.688 O 1.237 17 residues pruned to eliminate duplicates Z: 30 20.113 1.916 0.563 0.511 0.931 0.552 CB 1.325 28 residues pruned to eliminate duplicates Z: 8 9.261 1.649 0.429 0.772 1.000 0.571 CA 1.168 8 residues pruned to eliminate duplicates Z: 29 19.425 1.973 0.542 0.439 0.857 0.357 CB 1.500 29 residues pruned to eliminate duplicates Z: 8 6.577 1.727 0.032 0.633 1.000 0.714 CB 1.231 8 residues pruned to eliminate duplicates Z: 8 10.154 1.571 0.513 0.779 1.000 0.714 CB 1.262 9 residues pruned to eliminate duplicates Z: 10 8.743 1.610 0.458 0.555 1.000 0.444 CA 1.177 10 residues pruned to eliminate duplicates Z: 29 17.033 1.909 0.500 0.420 0.821 0.500 CB 1.487 29 residues pruned to eliminate duplicates Z: 18 17.273 1.978 0.290 0.771 0.941 0.824 CB 1.373 18 residues pruned to eliminate duplicates Z: 18 17.552 1.948 0.333 0.777 0.941 0.824 CB 1.363 18 residues pruned to eliminate duplicates Z: 55 31.399 1.945 0.499 0.703 0.963 0.611 CB 1.265 57 residues pruned to eliminate duplicates Z: 15 18.715 1.978 0.312 0.910 0.929 0.714 CB 1.472 15 residues pruned to eliminate duplicates Z: 18 23.762 2.003 0.692 0.778 0.941 0.647 CB 1.414 18 residues pruned to eliminate duplicates Z: 18 23.254 2.003 0.591 0.774 0.941 0.647 CB 1.476 18 residues pruned to eliminate duplicates Z: 14 24.393 2.030 0.775 0.889 0.923 0.385 CB 1.464 14 residues pruned to eliminate duplicates Z: 15 27.265 2.014 0.915 0.920 0.929 0.357 CB 1.432 15 residues pruned to eliminate duplicates Z: 16 23.651 1.917 0.867 0.840 0.933 0.200 CB 1.364 16 residues pruned to eliminate duplicates Z: 18 24.078 1.972 0.765 0.769 0.941 0.294 CB 1.405 18 residues pruned to eliminate duplicates Z: 19 16.994 1.900 0.888 0.694 0.778 0.222 CB 1.202 19 residues pruned to eliminate duplicates Z: 19 19.413 1.908 0.859 0.730 0.889 0.444 CB 1.180 19 residues pruned to eliminate duplicates Z: 18 23.265 1.985 0.666 0.769 0.941 0.588 CB 1.429 18 residues pruned to eliminate duplicates Z: 7 3.635 1.612 0.280 0.420 0.667 0.667 N 1.173 11 residues pruned to eliminate duplicates Z: 6 3.751 1.740 0.773 0.159 0.800 0.400 CA 1.031 6 residues pruned to eliminate duplicates Z: 13 11.811 2.028 0.461 0.449 0.833 0.417 CB 1.455 13 residues pruned to eliminate duplicates Z: 28 27.068 2.130 0.763 0.518 0.926 0.519 CB 1.471 38 residues pruned to eliminate duplicates Z: 7 19.645 2.213 0.612 0.896 1.000 1.000 CB 1.610 7 residues pruned to eliminate duplicates Z: 38 25.620 2.074 0.733 0.428 0.892 0.568 CB 1.416 28 residues pruned to eliminate duplicates Z: 9 20.695 1.927 0.822 0.867 1.000 0.375 CB 1.524 9 residues pruned to eliminate duplicates Z: 26 20.909 2.085 0.694 0.443 0.920 0.480 CB 1.365 26 residues pruned to eliminate duplicates Z: 32 25.266 2.131 0.632 0.472 0.903 0.581 CB 1.486 32 residues pruned to eliminate duplicates Z: 30 24.344 2.042 0.631 0.521 0.931 0.586 CB 1.428 30 residues pruned to eliminate duplicates Z: 26 21.682 2.042 0.749 0.486 0.880 0.400 CB 1.400 26 residues pruned to eliminate duplicates Z: 31 24.054 2.055 0.763 0.526 0.867 0.667 CB 1.363 31 residues pruned to eliminate duplicates Z: 28 26.833 2.122 0.791 0.568 0.889 0.593 CB 1.431 28 residues pruned to eliminate duplicates Z: 27 25.531 2.133 0.764 0.543 0.885 0.385 CB 1.442 27 residues pruned to eliminate duplicates Z: 16 20.783 2.103 0.655 0.576 1.000 0.600 CB 1.432 16 residues pruned to eliminate duplicates Z: 16 19.539 2.073 0.651 0.573 0.933 0.400 CB 1.472 16 residues pruned to eliminate duplicates Z: 15 9.081 1.907 0.864 0.333 0.643 0.500 CB 1.276 15 residues pruned to eliminate duplicates Z: 17 15.791 1.964 0.689 0.505 0.875 0.438 CB 1.354 17 residues pruned to eliminate duplicates Z: 27 26.959 2.123 0.689 0.556 0.962 0.731 CB 1.452 27 residues pruned to eliminate duplicates Z: 19 19.003 2.018 0.828 0.509 0.833 0.667 CB 1.444 19 residues pruned to eliminate duplicates Z: 27 24.273 2.147 0.644 0.525 0.846 0.462 CB 1.555 27 residues pruned to eliminate duplicates Z: 34 25.386 2.026 0.711 0.494 0.909 0.545 CA 1.411 34 residues pruned to eliminate duplicates Z: 29 23.792 2.093 0.682 0.526 0.821 0.571 CB 1.515 29 residues pruned to eliminate duplicates Z: 50 29.472 2.158 0.692 0.503 0.878 0.571 CB 1.310 56 residues pruned to eliminate duplicates Z: 9 17.037 1.869 0.795 0.813 1.000 0.625 CA 1.368 9 residues pruned to eliminate duplicates Z: 8 4.430 1.593 0.113 0.603 0.714 0.429 N 1.198 8 residues pruned to eliminate duplicates Z: 7 6.725 1.723 0.092 0.777 0.833 0.667 CA 1.372 6 residues pruned to eliminate duplicates Z: 7 6.392 1.669 0.141 0.804 0.833 0.500 CB 1.262 7 residues pruned to eliminate duplicates Z: 8 8.575 1.708 0.391 0.704 0.857 0.429 CB 1.323 8 residues pruned to eliminate duplicates Z: 7 6.612 1.737 0.138 0.673 0.833 0.167 CB 1.397 7 residues pruned to eliminate duplicates Z: 10 13.922 1.860 0.627 0.560 1.000 0.556 CB 1.446 10 residues pruned to eliminate duplicates Z: 31 30.185 1.992 0.744 0.596 1.000 0.500 CB 1.448 58 residues pruned to eliminate duplicates Z: 29 30.440 2.004 0.732 0.582 1.000 0.607 CB 1.532 29 residues pruned to eliminate duplicates Z: 27 26.712 2.030 0.666 0.573 0.962 0.308 CB 1.501 27 residues pruned to eliminate duplicates Z: 26 30.422 2.068 0.779 0.617 0.920 0.720 CA 1.608 26 residues pruned to eliminate duplicates Z: 10 10.744 1.684 0.422 0.787 1.000 0.778 CA 1.162 10 residues pruned to eliminate duplicates Z: 21 18.377 1.696 0.408 0.915 1.000 0.750 CB 1.216 21 residues pruned to eliminate duplicates Z: 10 10.666 1.656 0.439 0.713 1.000 0.778 CA 1.230 10 residues pruned to eliminate duplicates Z: 19 19.619 1.733 0.517 0.917 1.000 0.833 CB 1.242 19 residues pruned to eliminate duplicates Z: 11 8.805 1.607 0.373 0.752 0.900 0.400 CB 1.120 11 residues pruned to eliminate duplicates Z: 21 21.666 1.740 0.602 0.900 1.000 0.800 CB 1.242 21 residues pruned to eliminate duplicates Z: 22 20.973 1.723 0.705 0.919 0.952 0.667 CB 1.153 22 residues pruned to eliminate duplicates Z: 21 17.639 1.702 0.544 0.842 0.950 0.500 CB 1.177 21 residues pruned to eliminate duplicates Z: 21 17.501 1.693 0.594 0.876 0.900 0.650 CB 1.171 21 residues pruned to eliminate duplicates Z: 21 17.892 1.701 0.473 0.930 1.000 0.700 CB 1.117 21 residues pruned to eliminate duplicates Z: 14 16.429 1.750 0.799 0.854 0.923 0.538 CB 1.158 14 residues pruned to eliminate duplicates Z: 22 19.520 1.684 0.676 0.830 0.952 0.714 CB 1.191 22 residues pruned to eliminate duplicates Z: 24 19.292 1.649 0.648 0.840 1.000 0.652 CB 1.105 24 residues pruned to eliminate duplicates Z: 21 18.623 1.708 0.567 0.838 1.000 0.600 CB 1.163 21 residues pruned to eliminate duplicates Z: 20 19.550 1.702 0.747 0.891 1.000 0.737 CB 1.085 20 residues pruned to eliminate duplicates Z: 18 19.743 1.681 0.907 0.901 1.000 0.647 CB 1.066 18 residues pruned to eliminate duplicates Z: 16 14.894 1.700 0.702 0.850 0.933 0.533 CB 1.055 16 residues pruned to eliminate duplicates Z: 17 18.041 1.717 0.755 0.920 0.938 0.812 CB 1.124 17 residues pruned to eliminate duplicates Z: 22 18.865 1.692 0.719 0.871 0.952 0.476 CB 1.084 22 residues pruned to eliminate duplicates Z: 18 12.088 1.625 0.725 0.670 0.824 0.471 CB 1.085 18 residues pruned to eliminate duplicates Z: 7 9.322 1.728 0.532 0.781 1.000 0.833 CB 1.123 Z: 6 4.227 1.822 0.206 0.420 0.800 0.600 CB 1.169 Z: 6 2.652 1.351 0.072 0.564 1.000 0.000 CB 0.770 3 residues pruned to eliminate duplicates Z: 15 24.946 2.096 0.852 0.757 0.857 0.714 CA 1.593 8 residues pruned to eliminate duplicates Z: 15 23.514 2.064 0.605 0.799 0.929 0.714 CA 1.573 16 residues pruned to eliminate duplicates Z: 21 22.655 1.859 0.594 0.813 0.900 0.650 CB 1.446 21 residues pruned to eliminate duplicates Z: 29 29.376 2.005 0.610 0.619 1.000 0.679 CB 1.536 43 residues pruned to eliminate duplicates Z: 29 27.136 2.006 0.651 0.614 0.929 0.714 CB 1.497 29 residues pruned to eliminate duplicates Z: 32 26.845 1.953 0.672 0.573 0.935 0.613 CB 1.471 32 residues pruned to eliminate duplicates Z: 44 23.556 1.909 0.557 0.522 0.884 0.558 CB 1.338 44 residues pruned to eliminate duplicates Z: 29 28.082 1.998 0.746 0.652 0.929 0.607 CB 1.423 29 residues pruned to eliminate duplicates Z: 40 26.133 1.943 0.524 0.570 0.974 0.667 CB 1.355 49 residues pruned to eliminate duplicates Z: 40 25.703 1.958 0.609 0.573 0.897 0.615 CB 1.357 40 residues pruned to eliminate duplicates Z: 19 27.936 2.058 0.647 0.717 1.000 0.667 CB 1.596 Z: 12 26.618 2.165 0.852 0.907 0.909 0.727 CA 1.565 12 residues pruned to eliminate duplicates Z: 48 26.380 1.947 0.603 0.552 0.915 0.617 CB 1.281 65 residues pruned to eliminate duplicates Z: 21 29.963 1.953 0.878 0.849 0.950 0.700 CB 1.425 21 residues pruned to eliminate duplicates Z: 43 31.689 1.939 0.680 0.617 0.952 0.571 CB 1.411 42 residues pruned to eliminate duplicates Z: 21 31.590 2.005 0.769 0.817 0.950 0.600 CA 1.592 21 residues pruned to eliminate duplicates Z: 11 10.494 2.103 0.676 0.388 0.900 0.800 CB 1.178 11 residues pruned to eliminate duplicates Z: 29 18.321 1.950 0.838 0.473 0.786 0.536 CB 1.263 29 residues pruned to eliminate duplicates Z: 29 19.031 2.031 0.720 0.464 0.821 0.607 CB 1.300 29 residues pruned to eliminate duplicates Z: 18 11.742 2.062 0.713 0.410 0.765 0.588 CB 1.159 18 residues pruned to eliminate duplicates Z: 20 13.851 1.920 0.827 0.365 0.895 0.632 CB 1.171 20 residues pruned to eliminate duplicates Z: 27 19.129 2.048 0.648 0.483 0.846 0.538 CB 1.337 27 residues pruned to eliminate duplicates Z: 33 21.163 2.057 0.659 0.486 0.844 0.562 CB 1.318 33 residues pruned to eliminate duplicates Z: 16 14.922 1.921 0.747 0.439 1.000 0.600 CB 1.224 8 residues pruned to eliminate duplicates Z: 9 13.997 1.977 0.333 0.911 1.000 1.000 CB 1.331 Z: 9 14.442 1.877 0.380 0.899 1.000 1.000 CB 1.409 9 residues pruned to eliminate duplicates Z: 11 14.906 1.826 0.389 0.865 1.000 0.900 CA 1.362 9 residues pruned to eliminate duplicates Z: 10 17.242 1.917 0.607 0.901 1.000 0.778 CB 1.331 11 residues pruned to eliminate duplicates Z: 10 15.917 1.791 0.670 0.895 1.000 0.889 CB 1.271 10 residues pruned to eliminate duplicates Z: 12 18.559 1.939 0.839 0.766 0.909 0.636 CB 1.363 10 residues pruned to eliminate duplicates Z: 11 13.897 1.715 0.738 0.823 0.900 0.600 CA 1.238 11 residues pruned to eliminate duplicates Z: 92 47.338 2.150 0.650 0.544 0.890 0.659 CB 1.505 104 residues pruned to eliminate duplicates Z: 9 2.493 1.630 0.392 0.137 0.500 0.250 O 1.220 9 residues pruned to eliminate duplicates Z: 16 15.747 1.843 0.982 0.584 0.867 0.667 CB 1.186 16 residues pruned to eliminate duplicates Z: 25 22.304 2.135 0.439 0.535 0.875 0.375 CB 1.636 25 residues pruned to eliminate duplicates Z: 113 52.152 2.080 0.650 0.536 0.911 0.571 CB 1.521 113 residues pruned to eliminate duplicates Z: 85 60.715 2.242 0.874 0.553 0.952 0.595 CB 1.572 85 residues pruned to eliminate duplicates Z: 20 21.396 2.169 0.379 0.592 0.895 0.474 CB 1.680 20 residues pruned to eliminate duplicates Z: 53 30.060 2.172 0.555 0.425 0.904 0.538 CB 1.475 53 residues pruned to eliminate duplicates Z: 87 52.095 2.207 0.737 0.538 0.895 0.570 CB 1.577 87 residues pruned to eliminate duplicates Z: 25 18.812 2.037 0.257 0.551 0.958 0.667 CB 1.489 25 residues pruned to eliminate duplicates Z: 89 57.805 2.210 0.782 0.575 0.886 0.648 CB 1.643 89 residues pruned to eliminate duplicates Z: 44 25.631 2.200 0.432 0.428 0.884 0.488 CB 1.512 44 residues pruned to eliminate duplicates Z: 65 32.045 2.114 0.599 0.436 0.891 0.531 CB 1.422 65 residues pruned to eliminate duplicates Z: 22 17.706 2.000 0.449 0.528 0.857 0.476 CB 1.513 22 residues pruned to eliminate duplicates Z: 83 54.603 2.221 0.793 0.545 0.890 0.622 CB 1.628 83 residues pruned to eliminate duplicates Z: 92 56.278 2.186 0.820 0.558 0.890 0.560 CB 1.574 92 residues pruned to eliminate duplicates Z: 51 28.669 2.165 0.590 0.417 0.880 0.440 CB 1.459 51 residues pruned to eliminate duplicates Z: 91 54.840 2.199 0.622 0.578 0.922 0.600 CB 1.630 91 residues pruned to eliminate duplicates Z: 55 31.268 2.142 0.659 0.384 0.889 0.537 CB 1.524 55 residues pruned to eliminate duplicates Z: 87 59.051 2.190 0.797 0.567 0.930 0.640 CB 1.631 87 residues pruned to eliminate duplicates Z: 52 30.728 2.148 0.550 0.437 0.902 0.451 CB 1.530 52 residues pruned to eliminate duplicates Z: 43 30.712 2.210 0.598 0.427 0.905 0.500 CB 1.599 43 residues pruned to eliminate duplicates Z: 52 29.825 2.183 0.486 0.410 0.882 0.529 CB 1.603 52 residues pruned to eliminate duplicates Z: 53 34.844 2.188 0.715 0.430 0.942 0.577 CB 1.469 53 residues pruned to eliminate duplicates Z: 50 31.005 2.194 0.515 0.440 0.898 0.633 CB 1.580 50 residues pruned to eliminate duplicates Z: 51 36.944 2.199 0.694 0.454 0.940 0.620 CB 1.564 51 residues pruned to eliminate duplicates Z: 53 32.205 2.136 0.546 0.474 0.904 0.481 CB 1.536 53 residues pruned to eliminate duplicates Z: 64 51.045 2.223 0.791 0.572 0.921 0.667 CB 1.636 64 residues pruned to eliminate duplicates Z: 52 30.300 2.154 0.644 0.408 0.863 0.431 CB 1.530 52 residues pruned to eliminate duplicates Z: 29 23.647 2.218 0.641 0.361 0.893 0.571 CB 1.596 29 residues pruned to eliminate duplicates Z: 30 26.152 2.193 0.752 0.369 0.931 0.690 CB 1.561 30 residues pruned to eliminate duplicates Z: 87 51.354 2.190 0.699 0.505 0.907 0.570 CB 1.632 87 residues pruned to eliminate duplicates Z: 63 50.474 2.214 0.895 0.560 0.887 0.645 CB 1.624 63 residues pruned to eliminate duplicates Z: 52 28.369 2.119 0.620 0.364 0.902 0.510 CB 1.485 52 residues pruned to eliminate duplicates Z: 74 51.571 2.199 0.821 0.543 0.904 0.671 CB 1.598 74 residues pruned to eliminate duplicates Z: 92 60.898 2.195 0.853 0.566 0.934 0.560 CB 1.576 92 residues pruned to eliminate duplicates Z: 38 33.692 2.260 0.662 0.496 0.892 0.676 CB 1.660 38 residues pruned to eliminate duplicates Z: 53 33.565 2.167 0.653 0.390 0.923 0.538 CB 1.582 53 residues pruned to eliminate duplicates Z: 70 52.743 2.183 0.845 0.575 0.913 0.696 CB 1.607 70 residues pruned to eliminate duplicates Z: 65 53.333 2.213 0.855 0.589 0.922 0.656 CB 1.618 65 residues pruned to eliminate duplicates Z: 91 50.099 2.164 0.862 0.491 0.867 0.589 CB 1.527 91 residues pruned to eliminate duplicates Z: 29 27.242 2.219 0.726 0.352 0.964 0.536 CB 1.636 29 residues pruned to eliminate duplicates Z: 95 59.873 2.185 0.784 0.580 0.915 0.617 CB 1.603 95 residues pruned to eliminate duplicates Z: 67 56.359 2.220 0.845 0.596 0.939 0.636 CB 1.645 67 residues pruned to eliminate duplicates Z: 54 31.864 2.172 0.647 0.405 0.887 0.491 CB 1.524 54 residues pruned to eliminate duplicates Z: 66 51.516 2.186 0.851 0.557 0.954 0.631 CB 1.567 66 residues pruned to eliminate duplicates Z: 30 24.208 2.197 0.685 0.343 1.000 0.655 CB 1.441 30 residues pruned to eliminate duplicates Z: 50 32.245 2.163 0.662 0.416 0.918 0.510 CB 1.523 50 residues pruned to eliminate duplicates Z: 7 10.118 1.817 0.754 0.540 0.833 0.500 CA 1.494 7 residues pruned to eliminate duplicates Z: 8 6.934 2.077 0.412 0.474 0.714 0.571 CB 1.284 8 residues pruned to eliminate duplicates Z: 8 7.574 2.115 0.403 0.553 0.857 0.857 CB 1.069 8 residues pruned to eliminate duplicates Z: 44 42.851 2.167 0.692 0.745 0.930 0.791 CA 1.539 44 residues pruned to eliminate duplicates Z: 40 49.373 2.286 0.816 0.713 0.897 0.744 CB 1.750 40 residues pruned to eliminate duplicates Z: 40 45.733 2.228 0.836 0.690 0.897 0.744 CB 1.676 40 residues pruned to eliminate duplicates Z: 37 45.710 2.217 0.935 0.682 0.917 0.722 CB 1.639 37 residues pruned to eliminate duplicates Z: 45 50.031 2.180 1.012 0.693 0.909 0.750 CA 1.585 45 residues pruned to eliminate duplicates Z: 44 57.596 2.162 1.056 0.777 0.953 0.698 CA 1.622 44 residues pruned to eliminate duplicates Z: 43 46.851 2.221 0.966 0.695 0.881 0.667 CA 1.574 43 residues pruned to eliminate duplicates Z: 43 49.535 2.175 1.051 0.706 0.929 0.690 CB 1.530 43 residues pruned to eliminate duplicates Z: 61 52.094 2.237 0.813 0.567 0.950 0.683 CB 1.637 61 residues pruned to eliminate duplicates Z: 67 59.879 2.231 0.900 0.595 0.955 0.682 CB 1.663 67 residues pruned to eliminate duplicates Z: 51 54.589 2.171 0.906 0.752 0.920 0.700 CB 1.619 51 residues pruned to eliminate duplicates Z: 45 54.066 2.148 1.136 0.713 0.932 0.659 CB 1.571 45 residues pruned to eliminate duplicates Z: 39 52.366 2.248 1.018 0.716 0.921 0.658 CB 1.672 39 residues pruned to eliminate duplicates Z: 39 55.114 2.230 0.901 0.798 0.974 0.711 CB 1.668 39 residues pruned to eliminate duplicates Z: 42 52.502 2.216 0.947 0.738 0.927 0.610 CB 1.656 42 residues pruned to eliminate duplicates Z: 39 57.339 2.216 1.181 0.800 0.921 0.816 CB 1.607 39 residues pruned to eliminate duplicates Z: 100 64.640 2.183 0.889 0.595 0.909 0.616 CB 1.582 113 residues pruned to eliminate duplicates Z: 30 35.208 1.967 0.751 0.922 0.931 0.862 CA 1.433 30 residues pruned to eliminate duplicates Z: 81 61.048 2.243 0.874 0.574 0.913 0.613 CB 1.657 81 residues pruned to eliminate duplicates Z: 46 59.989 2.217 1.103 0.738 0.911 0.778 CB 1.701 46 residues pruned to eliminate duplicates Z: 43 56.310 2.219 0.895 0.735 0.976 0.714 CB 1.714 43 residues pruned to eliminate duplicates Z: 56 55.939 2.246 1.008 0.554 0.945 0.636 CA 1.677 56 residues pruned to eliminate duplicates Z: 45 62.237 2.235 0.992 0.760 0.977 0.727 CB 1.712 45 residues pruned to eliminate duplicates Z: 67 50.334 2.204 0.905 0.520 0.879 0.652 CB 1.645 67 residues pruned to eliminate duplicates Z: 41 55.468 2.214 1.151 0.756 0.900 0.825 CB 1.630 41 residues pruned to eliminate duplicates Z: 44 64.285 2.220 1.199 0.802 0.930 0.651 CB 1.659 57 residues pruned to eliminate duplicates Z: 30 39.276 2.008 0.794 0.944 1.000 0.655 CB 1.402 30 residues pruned to eliminate duplicates Z: 48 60.026 2.176 1.143 0.795 0.936 0.574 CB 1.548 48 residues pruned to eliminate duplicates Z: 67 63.663 2.250 1.009 0.604 0.955 0.652 CB 1.645 67 residues pruned to eliminate duplicates Z: 43 53.820 2.208 1.088 0.738 0.929 0.524 CB 1.568 43 residues pruned to eliminate duplicates Z: 46 55.264 2.152 1.157 0.697 0.956 0.489 CB 1.552 46 residues pruned to eliminate duplicates Z: 44 65.578 2.246 1.285 0.726 0.977 0.605 CB 1.628 44 residues pruned to eliminate duplicates Z: 45 58.809 2.175 1.292 0.719 0.932 0.659 CB 1.565 45 residues pruned to eliminate duplicates Z: 51 58.475 2.166 1.158 0.759 0.920 0.620 CB 1.528 51 residues pruned to eliminate duplicates Z: 74 58.085 2.159 0.970 0.613 0.945 0.493 CB 1.519 74 residues pruned to eliminate duplicates Z: 47 50.903 2.174 1.062 0.724 0.870 0.457 CB 1.573 47 residues pruned to eliminate duplicates Z: 74 65.088 2.174 1.128 0.592 0.959 0.411 CB 1.573 74 residues pruned to eliminate duplicates Z: 104 58.189 2.128 0.863 0.559 0.883 0.456 CB 1.545 104 residues pruned to eliminate duplicates Z: 49 60.141 2.219 1.111 0.770 0.917 0.479 CB 1.592 49 residues pruned to eliminate duplicates Z: 54 56.777 2.116 1.218 0.719 0.925 0.566 CB 1.474 54 residues pruned to eliminate duplicates Z: 48 68.846 2.223 1.287 0.808 0.936 0.574 CB 1.613 47 residues pruned to eliminate duplicates Z: 30 52.669 2.063 1.316 0.938 0.966 0.621 CB 1.475 29 residues pruned to eliminate duplicates Z: 16 26.269 1.855 1.195 0.905 1.000 0.333 CB 1.185 16 residues pruned to eliminate duplicates Z: 10 11.046 1.963 0.245 0.513 1.000 0.778 CB 1.488 10 residues pruned to eliminate duplicates Z: 6 5.438 1.513 0.991 0.457 1.000 0.800 CA 0.843 6 residues pruned to eliminate duplicates Z: 16 11.257 1.876 0.683 0.431 0.867 0.600 CB 1.141 16 residues pruned to eliminate duplicates Z: 22 11.622 1.802 0.695 0.351 0.857 0.476 CB 1.138 22 residues pruned to eliminate duplicates Z: 15 11.918 1.946 0.882 0.471 0.929 0.643 CB 0.965 15 residues pruned to eliminate duplicates Z: 13 12.916 2.003 0.895 0.523 0.917 0.583 CB 1.048 13 residues pruned to eliminate duplicates Z: 17 10.998 1.840 0.738 0.455 0.938 0.688 CB 0.961 17 residues pruned to eliminate duplicates Z: 17 8.780 1.885 0.584 0.354 0.875 0.688 CB 0.984 17 residues pruned to eliminate duplicates Z: 15 12.581 1.793 0.651 0.614 0.857 0.500 CB 1.190 15 residues pruned to eliminate duplicates Z: 13 19.753 1.991 0.841 0.733 0.833 0.667 CB 1.514 13 residues pruned to eliminate duplicates Z: 11 23.341 1.941 0.764 0.869 1.000 0.600 CA 1.574 11 residues pruned to eliminate duplicates Z: 12 16.812 1.961 0.814 0.698 0.909 0.273 CB 1.308 12 residues pruned to eliminate duplicates Z: 32 23.574 1.999 0.635 0.612 0.871 0.548 CB 1.338 32 residues pruned to eliminate duplicates Z: 29 26.359 2.007 0.601 0.578 0.929 0.536 CB 1.549 29 residues pruned to eliminate duplicates Z: 32 28.453 1.979 0.671 0.579 0.935 0.516 CB 1.531 30 residues pruned to eliminate duplicates Z: 6 6.959 1.638 0.816 0.468 1.000 0.600 CA 1.081 6 residues pruned to eliminate duplicates Z: 33 29.541 1.963 0.709 0.565 0.938 0.531 CB 1.559 33 residues pruned to eliminate duplicates Z: 14 15.137 1.858 0.400 0.691 1.000 0.615 CA 1.355 14 residues pruned to eliminate duplicates Z: 33 19.244 1.779 0.725 0.486 0.938 0.438 CB 1.199 33 residues pruned to eliminate duplicates Z: 18 16.337 1.915 0.566 0.528 0.941 0.471 CA 1.366 18 residues pruned to eliminate duplicates Z: 30 28.183 2.012 0.729 0.542 0.897 0.552 CB 1.611 30 residues pruned to eliminate duplicates Z: 27 26.232 1.975 0.737 0.600 0.962 0.423 CB 1.418 27 residues pruned to eliminate duplicates Z: 32 25.451 1.954 0.717 0.645 0.903 0.452 CB 1.317 32 residues pruned to eliminate duplicates Z: 31 20.089 1.923 0.739 0.511 0.800 0.433 CB 1.357 31 residues pruned to eliminate duplicates Z: 26 27.901 2.014 0.715 0.614 0.920 0.400 CB 1.576 26 residues pruned to eliminate duplicates Z: 31 23.499 1.923 0.629 0.594 0.867 0.500 CB 1.444 31 residues pruned to eliminate duplicates Z: 17 17.888 1.984 0.445 0.629 0.938 0.375 CB 1.473 17 residues pruned to eliminate duplicates Z: 30 26.398 2.015 0.672 0.615 0.862 0.345 CB 1.513 30 residues pruned to eliminate duplicates Z: 14 11.811 1.825 0.693 0.570 0.769 0.385 CB 1.288 14 residues pruned to eliminate duplicates Z: 31 29.957 1.971 0.758 0.639 0.933 0.667 CB 1.484 31 residues pruned to eliminate duplicates Z: 23 20.096 1.940 0.632 0.568 0.864 0.591 CB 1.467 23 residues pruned to eliminate duplicates Z: 18 19.175 2.069 0.791 0.495 0.882 0.647 CB 1.428 18 residues pruned to eliminate duplicates Z: 30 28.114 2.129 0.874 0.568 0.897 0.483 CB 1.367 41 residues pruned to eliminate duplicates Z: 7 9.929 1.538 1.074 0.483 1.000 0.667 O 1.293 7 residues pruned to eliminate duplicates Z: 17 19.990 2.157 0.651 0.521 0.938 0.812 CB 1.466 17 residues pruned to eliminate duplicates Z: 16 18.180 2.019 0.639 0.563 0.933 0.667 CB 1.429 16 residues pruned to eliminate duplicates Z: 61 37.469 2.140 0.756 0.484 0.917 0.517 CB 1.427 61 residues pruned to eliminate duplicates Z: 30 30.346 2.172 0.881 0.550 0.931 0.552 CB 1.410 30 residues pruned to eliminate duplicates Z: 9 19.018 1.748 1.021 0.813 1.000 0.625 CA 1.449 9 residues pruned to eliminate duplicates Z: 17 23.375 2.093 0.833 0.537 1.000 0.688 CB 1.470 17 residues pruned to eliminate duplicates Z: 20 19.440 2.040 0.801 0.436 0.895 0.421 CB 1.449 20 residues pruned to eliminate duplicates Z: 29 28.995 2.127 0.834 0.548 0.929 0.500 CB 1.443 29 residues pruned to eliminate duplicates Z: 17 15.918 2.051 0.617 0.466 0.812 0.625 CB 1.529 17 residues pruned to eliminate duplicates Z: 29 25.642 2.176 0.763 0.539 0.893 0.571 CB 1.362 29 residues pruned to eliminate duplicates Z: 8 2.309 1.330 0.049 0.375 0.714 0.571 N 1.000 7 residues pruned to eliminate duplicates Z: 8 5.449 1.627 0.071 0.854 1.000 0.714 CB 0.873 8 residues pruned to eliminate duplicates Z: 9 6.328 1.553 0.453 0.630 0.875 0.875 CB 1.003 9 residues pruned to eliminate duplicates Z: 9 5.608 1.612 0.495 0.567 0.750 0.625 CB 1.028 9 residues pruned to eliminate duplicates Z: 8 4.267 1.549 0.181 0.656 0.857 0.429 CB 0.890 8 residues pruned to eliminate duplicates Z: 7 4.134 1.604 0.131 0.437 0.833 0.500 CB 1.192 Z: 12 14.845 1.738 0.328 0.863 1.000 0.727 CB 1.422 7 residues pruned to eliminate duplicates Z: 12 10.076 1.697 0.229 0.756 0.818 0.636 CB 1.417 12 residues pruned to eliminate duplicates Z: 15 14.003 1.725 0.271 0.699 1.000 0.571 CB 1.423 12 residues pruned to eliminate duplicates Z: 11 11.163 1.808 0.438 0.848 0.700 0.500 CB 1.439 11 residues pruned to eliminate duplicates Z: 13 12.350 1.754 0.376 0.755 0.833 0.667 CB 1.413 13 residues pruned to eliminate duplicates Z: 13 16.359 1.788 0.527 0.808 0.917 0.667 CB 1.442 15 residues pruned to eliminate duplicates Z: 12 11.242 1.814 0.464 0.788 0.727 0.636 CB 1.362 12 residues pruned to eliminate duplicates Z: 11 17.069 1.839 0.527 0.836 1.000 0.800 CB 1.439 11 residues pruned to eliminate duplicates Z: 15 9.818 1.639 0.228 0.751 0.857 0.500 CB 1.216 15 residues pruned to eliminate duplicates Z: 8 9.123 1.910 0.156 0.772 1.000 0.857 CB 1.229 8 residues pruned to eliminate duplicates Z: 15 14.899 1.886 0.325 0.805 1.000 0.786 CB 1.221 15 residues pruned to eliminate duplicates Z: 16 16.675 1.846 0.398 0.859 1.000 0.867 CB 1.227 16 residues pruned to eliminate duplicates Z: 18 13.651 1.793 0.437 0.745 0.941 0.765 CB 1.097 18 residues pruned to eliminate duplicates Z: 17 16.270 1.848 0.523 0.809 0.938 0.688 CB 1.178 17 residues pruned to eliminate duplicates Z: 15 15.130 1.907 0.411 0.798 1.000 0.857 CB 1.158 15 residues pruned to eliminate duplicates Z: 14 15.644 1.889 0.407 0.846 1.000 0.692 CB 1.213 14 residues pruned to eliminate duplicates Z: 14 16.247 1.908 0.417 0.890 1.000 0.769 CB 1.199 14 residues pruned to eliminate duplicates Z: 7 6.797 1.638 0.345 0.830 0.833 0.500 CB 1.136 7 residues pruned to eliminate duplicates Z: 15 18.088 1.886 0.434 0.830 1.000 0.714 CB 1.343 15 residues pruned to eliminate duplicates Z: 15 16.735 1.887 0.402 0.846 0.929 0.643 CB 1.353 15 residues pruned to eliminate duplicates Z: 16 19.060 1.848 0.519 0.854 1.000 0.800 CB 1.294 16 residues pruned to eliminate duplicates Z: 7 4.154 1.351 0.452 0.407 1.000 0.500 O 0.953 7 residues pruned to eliminate duplicates Z: 44 27.517 1.979 0.601 0.561 0.907 0.558 CB 1.376 44 residues pruned to eliminate duplicates Z: 15 10.489 1.792 0.389 0.484 0.857 0.643 CB 1.336 15 residues pruned to eliminate duplicates Z: 44 32.766 2.006 0.656 0.565 0.977 0.581 CB 1.446 44 residues pruned to eliminate duplicates Z: 17 9.474 1.778 0.424 0.399 0.812 0.375 CB 1.282 17 residues pruned to eliminate duplicates Z: 11 5.682 1.876 0.409 0.364 0.700 0.400 CB 1.124 11 residues pruned to eliminate duplicates Z: 10 7.609 1.884 0.391 0.418 0.889 0.333 CB 1.186 10 residues pruned to eliminate duplicates Z: 47 26.944 1.954 0.512 0.545 0.957 0.543 CB 1.344 47 residues pruned to eliminate duplicates Z: 11 7.637 1.787 0.272 0.435 0.900 0.400 CB 1.263 11 residues pruned to eliminate duplicates Z: 46 28.912 1.986 0.586 0.576 0.933 0.667 CB 1.363 46 residues pruned to eliminate duplicates Z: 14 4.829 1.628 0.259 0.305 0.692 0.077 CB 1.173 14 residues pruned to eliminate duplicates Z: 44 31.135 1.980 0.737 0.544 0.953 0.558 CB 1.387 44 residues pruned to eliminate duplicates Z: 44 26.218 1.973 0.525 0.534 0.907 0.558 CB 1.416 44 residues pruned to eliminate duplicates Z: 44 29.823 2.008 0.572 0.560 0.930 0.581 CB 1.461 44 residues pruned to eliminate duplicates Z: 44 27.471 2.001 0.473 0.535 0.930 0.558 CB 1.476 44 residues pruned to eliminate duplicates Z: 31 30.721 2.048 0.671 0.562 1.000 0.600 CB 1.543 31 residues pruned to eliminate duplicates Z: 46 29.152 1.989 0.548 0.559 0.933 0.622 CB 1.428 46 residues pruned to eliminate duplicates Z: 41 29.952 2.044 0.702 0.553 0.950 0.500 CB 1.361 41 residues pruned to eliminate duplicates Z: 43 25.342 2.003 0.620 0.527 0.857 0.452 CB 1.369 43 residues pruned to eliminate duplicates Z: 45 27.085 1.968 0.610 0.524 0.886 0.455 CB 1.421 45 residues pruned to eliminate duplicates Z: 32 24.036 2.002 0.686 0.543 0.903 0.452 CB 1.357 32 residues pruned to eliminate duplicates Z: 44 28.086 1.985 0.545 0.548 0.907 0.628 CB 1.470 44 residues pruned to eliminate duplicates Z: 27 30.875 2.106 0.763 0.595 0.962 0.538 CB 1.550 27 residues pruned to eliminate duplicates Z: 45 26.918 1.979 0.543 0.514 0.909 0.500 CB 1.442 45 residues pruned to eliminate duplicates Z: 32 30.542 2.059 0.699 0.598 0.968 0.613 CB 1.476 32 residues pruned to eliminate duplicates Z: 32 29.700 2.048 0.727 0.564 0.968 0.581 CB 1.465 32 residues pruned to eliminate duplicates Z: 44 28.389 1.999 0.554 0.561 0.930 0.581 CB 1.412 44 residues pruned to eliminate duplicates Z: 42 27.742 2.022 0.610 0.519 0.927 0.512 CB 1.410 42 residues pruned to eliminate duplicates Z: 80 38.912 2.030 0.461 0.632 0.911 0.646 CB 1.430 80 residues pruned to eliminate duplicates Z: 29 29.447 2.079 0.635 0.640 1.000 0.679 CB 1.436 29 residues pruned to eliminate duplicates Z: 44 29.038 2.008 0.640 0.541 0.907 0.535 CB 1.425 44 residues pruned to eliminate duplicates Z: 31 25.801 2.047 0.571 0.601 0.900 0.500 CB 1.479 31 residues pruned to eliminate duplicates Z: 33 29.497 2.020 0.748 0.557 0.969 0.531 CB 1.443 33 residues pruned to eliminate duplicates Z: 12 8.764 1.972 0.639 0.286 0.818 0.455 CB 1.272 12 residues pruned to eliminate duplicates Z: 46 29.194 2.001 0.639 0.512 0.933 0.578 CB 1.405 46 residues pruned to eliminate duplicates Z: 30 30.603 2.074 0.797 0.642 0.931 0.586 CB 1.434 30 residues pruned to eliminate duplicates Z: 47 28.041 1.958 0.577 0.532 0.957 0.435 CB 1.356 47 residues pruned to eliminate duplicates Z: 33 26.070 2.012 0.677 0.536 0.938 0.531 CB 1.407 33 residues pruned to eliminate duplicates Z: 41 27.646 2.025 0.577 0.569 0.925 0.450 CB 1.384 41 residues pruned to eliminate duplicates Z: 17 6.792 1.760 0.439 0.280 0.938 0.562 CB 0.917 17 residues pruned to eliminate duplicates Z: 30 27.408 2.063 0.780 0.585 0.931 0.586 CB 1.371 30 residues pruned to eliminate duplicates Z: 87 43.661 1.999 0.550 0.613 0.942 0.581 CB 1.450 87 residues pruned to eliminate duplicates Z: 62 34.545 2.007 0.554 0.549 0.918 0.492 CB 1.472 62 residues pruned to eliminate duplicates Z: 97 53.822 2.052 0.570 0.667 0.979 0.625 CB 1.492 97 residues pruned to eliminate duplicates Z: 104 47.471 1.980 0.591 0.616 0.922 0.573 CB 1.443 104 residues pruned to eliminate duplicates Z: 41 34.514 2.033 0.587 0.703 0.975 0.800 CB 1.443 41 residues pruned to eliminate duplicates Z: 31 34.130 2.058 0.580 0.746 1.000 0.767 CB 1.538 31 residues pruned to eliminate duplicates Z: 85 47.685 2.005 0.684 0.603 0.964 0.643 CB 1.449 86 residues pruned to eliminate duplicates Z: 22 32.433 2.074 0.518 0.928 1.000 0.810 CB 1.575 22 residues pruned to eliminate duplicates Z: 54 43.389 2.110 0.519 0.738 0.943 0.755 CB 1.593 54 residues pruned to eliminate duplicates Z: 86 42.015 1.979 0.598 0.616 0.918 0.612 CB 1.406 86 residues pruned to eliminate duplicates Z: 52 38.221 2.045 0.666 0.636 0.941 0.647 CB 1.469 52 residues pruned to eliminate duplicates Z: 57 47.856 2.075 0.677 0.742 0.964 0.714 CB 1.534 58 residues pruned to eliminate duplicates Z: 22 34.400 2.060 0.677 0.928 0.952 0.714 CB 1.599 22 residues pruned to eliminate duplicates Z: 95 51.703 2.068 0.592 0.656 0.936 0.670 CB 1.497 95 residues pruned to eliminate duplicates Z: 34 34.786 2.049 0.672 0.711 0.939 0.636 CB 1.553 34 residues pruned to eliminate duplicates Z: 70 43.126 2.053 0.676 0.666 0.899 0.638 CB 1.440 70 residues pruned to eliminate duplicates Z: 42 34.244 2.015 0.644 0.703 0.902 0.585 CB 1.487 42 residues pruned to eliminate duplicates Z: 57 49.115 2.072 0.691 0.726 0.982 0.661 CB 1.556 57 residues pruned to eliminate duplicates Z: 64 43.944 2.058 0.613 0.669 0.952 0.683 CB 1.499 64 residues pruned to eliminate duplicates Z: 54 38.613 2.024 0.682 0.645 0.962 0.698 CB 1.414 54 residues pruned to eliminate duplicates Z: 40 37.014 2.030 0.592 0.731 0.974 0.538 CB 1.529 40 residues pruned to eliminate duplicates Z: 40 34.529 1.986 0.706 0.721 0.923 0.538 CB 1.448 40 residues pruned to eliminate duplicates Z: 35 36.302 2.097 0.705 0.778 0.941 0.647 CB 1.448 35 residues pruned to eliminate duplicates Z: 46 28.527 1.903 0.718 0.549 0.867 0.400 CB 1.431 46 residues pruned to eliminate duplicates Z: 36 33.571 2.010 0.694 0.751 0.914 0.600 CB 1.456 36 residues pruned to eliminate duplicates Z: 41 36.147 2.027 0.648 0.714 0.975 0.750 CB 1.445 41 residues pruned to eliminate duplicates Z: 85 44.835 2.013 0.641 0.626 0.952 0.488 CB 1.381 85 residues pruned to eliminate duplicates Z: 84 42.212 2.002 0.615 0.585 0.916 0.578 CB 1.442 84 residues pruned to eliminate duplicates Z: 56 47.883 2.066 0.685 0.731 0.982 0.673 CB 1.535 56 residues pruned to eliminate duplicates Z: 59 47.640 2.064 0.780 0.700 0.948 0.638 CB 1.496 59 residues pruned to eliminate duplicates Z: 102 52.145 2.030 0.668 0.641 0.931 0.574 CB 1.443 102 residues pruned to eliminate duplicates Z: 38 38.388 2.072 0.826 0.754 0.919 0.595 CB 1.448 38 residues pruned to eliminate duplicates Z: 59 37.175 2.030 0.600 0.689 0.862 0.690 CB 1.466 59 residues pruned to eliminate duplicates Z: 34 29.804 2.020 0.669 0.752 0.848 0.576 CB 1.449 34 residues pruned to eliminate duplicates Z: 34 29.059 2.019 0.663 0.737 0.879 0.545 CB 1.386 34 residues pruned to eliminate duplicates Z: 112 46.769 1.983 0.604 0.603 0.901 0.586 CB 1.404 112 residues pruned to eliminate duplicates Z: 42 34.002 2.029 0.709 0.705 0.854 0.537 CB 1.489 42 residues pruned to eliminate duplicates Z: 54 51.595 2.120 0.782 0.766 0.943 0.774 CB 1.572 54 residues pruned to eliminate duplicates Z: 7 4.730 1.617 0.431 0.536 0.833 0.500 CA 0.967 7 residues pruned to eliminate duplicates Z: 72 46.301 2.023 0.758 0.658 0.944 0.535 CB 1.415 72 residues pruned to eliminate duplicates Z: 78 47.100 2.063 0.685 0.624 0.922 0.584 CB 1.489 78 residues pruned to eliminate duplicates Z: 111 51.697 2.012 0.675 0.623 0.918 0.527 CB 1.418 111 residues pruned to eliminate duplicates Z: 95 57.124 2.084 0.710 0.665 0.926 0.638 CB 1.534 101 residues pruned to eliminate duplicates Z: 17 23.666 2.124 0.504 0.785 0.938 0.875 CA 1.538 17 residues pruned to eliminate duplicates Z: 17 29.606 2.140 0.635 0.811 1.000 0.875 CB 1.613 17 residues pruned to eliminate duplicates Z: 17 29.878 2.178 0.568 0.824 1.000 0.812 CB 1.653 17 residues pruned to eliminate duplicates Z: 18 23.862 2.132 0.576 0.777 0.882 0.706 CB 1.528 18 residues pruned to eliminate duplicates Z: 20 24.963 2.037 0.698 0.704 0.947 0.421 CB 1.451 20 residues pruned to eliminate duplicates Z: 50 41.344 2.056 0.683 0.725 0.959 0.694 CB 1.453 50 residues pruned to eliminate duplicates Z: 17 29.716 2.211 0.654 0.825 0.938 0.750 CB 1.635 17 residues pruned to eliminate duplicates Z: 17 27.404 2.178 0.721 0.757 0.938 0.812 CB 1.552 17 residues pruned to eliminate duplicates Z: 27 18.971 1.877 0.598 0.523 0.885 0.692 CA 1.371 27 residues pruned to eliminate duplicates Z: 18 22.100 2.094 0.615 0.775 0.882 0.706 CB 1.409 18 residues pruned to eliminate duplicates Z: 16 29.337 2.163 0.714 0.878 1.000 0.600 CB 1.483 16 residues pruned to eliminate duplicates Z: 20 17.070 1.924 0.676 0.715 0.737 0.421 CB 1.357 20 residues pruned to eliminate duplicates Z: 35 25.307 2.140 0.722 0.593 0.794 0.529 CB 1.356 35 residues pruned to eliminate duplicates Z: 18 14.394 1.939 0.573 0.409 0.882 0.529 CB 1.427 20 residues pruned to eliminate duplicates Z: 11 12.742 1.809 0.476 0.870 0.900 0.600 CB 1.224 11 residues pruned to eliminate duplicates Z: 106 71.101 2.228 0.976 0.591 0.905 0.638 CB 1.598 106 residues pruned to eliminate duplicates Z: 32 27.309 2.061 0.807 0.607 0.839 0.613 CB 1.418 32 residues pruned to eliminate duplicates Z: 24 17.977 1.898 0.644 0.534 0.913 0.565 CB 1.273 24 residues pruned to eliminate duplicates Z: 63 44.642 2.252 0.862 0.487 0.887 0.548 CB 1.544 63 residues pruned to eliminate duplicates Z: 64 38.742 2.228 0.718 0.485 0.841 0.508 CB 1.540 64 residues pruned to eliminate duplicates Z: 13 18.162 1.943 0.939 0.821 0.833 0.333 CB 1.264 13 residues pruned to eliminate duplicates Z: 47 34.189 2.194 0.676 0.553 0.870 0.522 CB 1.498 47 residues pruned to eliminate duplicates Z: 53 32.507 2.228 0.671 0.405 0.865 0.519 CB 1.546 53 residues pruned to eliminate duplicates Z: 18 24.669 2.224 0.634 0.564 0.941 0.353 CB 1.645 18 residues pruned to eliminate duplicates Z: 30 32.611 2.141 0.816 0.667 0.897 0.483 CB 1.489 30 residues pruned to eliminate duplicates Z: 53 41.599 2.269 0.758 0.419 0.942 0.596 CB 1.670 53 residues pruned to eliminate duplicates Z: 56 34.170 2.187 0.688 0.410 0.891 0.509 CB 1.540 56 residues pruned to eliminate duplicates Z: 61 40.847 2.200 0.796 0.475 0.883 0.500 CB 1.550 61 residues pruned to eliminate duplicates Z: 94 61.901 2.209 0.888 0.547 0.903 0.581 CB 1.627 94 residues pruned to eliminate duplicates Z: 92 69.617 2.299 0.892 0.591 0.901 0.604 CB 1.707 92 residues pruned to eliminate duplicates Z: 97 69.639 2.249 0.965 0.564 0.906 0.625 CB 1.668 97 residues pruned to eliminate duplicates Z: 61 48.035 2.263 0.916 0.462 0.900 0.550 CB 1.652 61 residues pruned to eliminate duplicates Z: 61 44.557 2.247 0.763 0.465 0.933 0.533 CB 1.613 61 residues pruned to eliminate duplicates Z: 139 69.516 2.139 0.754 0.598 0.949 0.623 CB 1.513 169 residues pruned to eliminate duplicates Z: 13 24.819 2.105 0.778 0.871 0.917 0.583 CB 1.524 13 residues pruned to eliminate duplicates Z: 27 33.320 2.255 0.735 0.702 0.885 0.731 CB 1.572 27 residues pruned to eliminate duplicates Z: 54 38.055 2.232 0.803 0.470 0.906 0.547 CB 1.477 54 residues pruned to eliminate duplicates Z: 93 69.367 2.286 0.827 0.587 0.946 0.707 CB 1.685 93 residues pruned to eliminate duplicates Z: 88 70.253 2.297 0.980 0.547 0.931 0.644 CB 1.699 88 residues pruned to eliminate duplicates Z: 34 29.898 2.132 0.738 0.578 0.818 0.667 CA 1.593 34 residues pruned to eliminate duplicates Z: 57 35.289 2.178 0.722 0.401 0.875 0.446 CB 1.596 57 residues pruned to eliminate duplicates Z: 61 46.425 2.243 0.932 0.460 0.883 0.583 CB 1.632 61 residues pruned to eliminate duplicates Z: 53 42.160 2.262 0.859 0.418 0.904 0.577 CB 1.675 53 residues pruned to eliminate duplicates Z: 100 76.292 2.263 0.942 0.607 0.939 0.667 CB 1.677 100 residues pruned to eliminate duplicates Z: 53 38.659 2.296 0.745 0.424 0.865 0.596 CB 1.673 53 residues pruned to eliminate duplicates Z: 88 61.259 2.265 0.835 0.567 0.931 0.678 CB 1.590 88 residues pruned to eliminate duplicates Z: 52 43.234 2.268 0.872 0.432 0.922 0.510 CB 1.661 52 residues pruned to eliminate duplicates Z: 38 29.766 2.181 0.808 0.342 0.919 0.541 CB 1.604 38 residues pruned to eliminate duplicates Z: 66 42.915 2.195 0.901 0.484 0.892 0.492 CB 1.453 66 residues pruned to eliminate duplicates Z: 38 29.195 2.205 0.945 0.328 0.838 0.514 CB 1.614 38 residues pruned to eliminate duplicates Z: 52 42.651 2.299 0.892 0.427 0.882 0.510 CB 1.678 52 residues pruned to eliminate duplicates Z: 76 66.042 2.278 1.032 0.592 0.920 0.680 CB 1.640 76 residues pruned to eliminate duplicates Z: 62 44.440 2.241 0.798 0.502 0.918 0.541 CB 1.536 62 residues pruned to eliminate duplicates Z: 61 42.676 2.245 0.811 0.448 0.883 0.617 CB 1.619 61 residues pruned to eliminate duplicates Z: 70 62.631 2.287 0.883 0.615 0.928 0.652 CB 1.694 70 residues pruned to eliminate duplicates Z: 96 69.275 2.262 0.916 0.588 0.947 0.695 CB 1.592 96 residues pruned to eliminate duplicates Z: 61 44.603 2.249 0.839 0.463 0.900 0.483 CB 1.607 61 residues pruned to eliminate duplicates Z: 40 23.845 2.144 0.712 0.281 0.821 0.462 CB 1.622 40 residues pruned to eliminate duplicates Z: 95 67.168 2.271 0.916 0.601 0.904 0.585 CB 1.599 95 residues pruned to eliminate duplicates Z: 52 44.284 2.283 0.841 0.444 0.941 0.588 CB 1.661 52 residues pruned to eliminate duplicates Z: 62 42.348 2.213 0.855 0.466 0.885 0.459 CB 1.545 62 residues pruned to eliminate duplicates Z: 60 42.745 2.242 0.779 0.457 0.898 0.525 CB 1.622 60 residues pruned to eliminate duplicates Z: 64 45.128 2.285 0.842 0.469 0.873 0.619 CB 1.597 64 residues pruned to eliminate duplicates Z: 53 41.143 2.247 0.864 0.420 0.885 0.538 CB 1.673 53 residues pruned to eliminate duplicates Z: 99 72.263 2.236 0.928 0.586 0.949 0.602 CB 1.643 99 residues pruned to eliminate duplicates Z: 18 16.460 2.016 1.114 0.281 0.824 0.529 CB 1.456 18 residues pruned to eliminate duplicates Z: 51 37.326 2.234 0.851 0.399 0.860 0.480 CB 1.651 51 residues pruned to eliminate duplicates Z: 43 59.808 2.301 1.181 0.704 0.952 0.833 CB 1.603 43 residues pruned to eliminate duplicates Z: 30 31.524 2.260 0.871 0.369 0.966 0.586 CA 1.650 30 residues pruned to eliminate duplicates Z: 15 10.705 2.075 0.409 0.204 0.929 0.571 CA 1.496 15 residues pruned to eliminate duplicates Z: 88 70.725 2.307 0.977 0.576 0.931 0.690 CB 1.659 88 residues pruned to eliminate duplicates Z: 15 14.671 1.963 1.255 0.349 0.857 0.643 CA 1.217 15 residues pruned to eliminate duplicates Z: 39 64.130 2.352 1.148 0.809 0.974 0.763 CA 1.616 39 residues pruned to eliminate duplicates Z: 101 75.707 2.270 0.969 0.613 0.920 0.640 CB 1.655 101 residues pruned to eliminate duplicates Z: 39 62.125 2.303 1.228 0.714 0.974 0.737 CB 1.662 39 residues pruned to eliminate duplicates Z: 108 69.325 2.212 0.849 0.608 0.916 0.645 CB 1.616 108 residues pruned to eliminate duplicates Z: 44 64.347 2.325 0.960 0.800 0.977 0.837 CB 1.695 44 residues pruned to eliminate duplicates Z: 55 59.664 2.247 1.021 0.676 0.963 0.815 CA 1.578 55 residues pruned to eliminate duplicates Z: 83 58.284 2.267 0.899 0.547 0.866 0.610 CB 1.649 83 residues pruned to eliminate duplicates Z: 46 59.273 2.232 0.890 0.787 1.000 0.800 CB 1.628 46 residues pruned to eliminate duplicates Z: 101 76.934 2.268 0.919 0.623 0.950 0.620 CB 1.656 101 residues pruned to eliminate duplicates Z: 51 54.709 2.205 0.996 0.694 0.920 0.700 CB 1.600 51 residues pruned to eliminate duplicates Z: 43 71.596 2.327 1.115 0.805 1.000 0.738 CA 1.721 43 residues pruned to eliminate duplicates Z: 99 70.331 2.251 0.957 0.602 0.888 0.673 CB 1.649 99 residues pruned to eliminate duplicates Z: 47 53.297 2.218 0.913 0.750 0.935 0.783 CA 1.585 47 residues pruned to eliminate duplicates Z: 44 66.876 2.299 1.065 0.808 1.000 0.791 CA 1.643 44 residues pruned to eliminate duplicates Z: 38 57.255 2.316 1.118 0.721 1.000 0.757 CA 1.572 38 residues pruned to eliminate duplicates Z: 43 65.733 2.276 1.059 0.806 0.976 0.762 CA 1.697 43 residues pruned to eliminate duplicates Z: 65 62.095 2.306 1.015 0.580 0.938 0.609 CA 1.650 65 residues pruned to eliminate duplicates Z: 44 60.232 2.252 0.986 0.803 0.977 0.767 CA 1.614 44 residues pruned to eliminate duplicates Z: 42 60.000 2.206 1.108 0.778 0.951 0.756 CB 1.658 42 residues pruned to eliminate duplicates Z: 95 70.862 2.252 0.965 0.578 0.926 0.553 CB 1.655 95 residues pruned to eliminate duplicates Z: 42 56.476 2.222 0.989 0.776 0.951 0.707 CA 1.644 42 residues pruned to eliminate duplicates Z: 34 39.381 2.132 0.806 0.751 0.939 0.758 CA 1.515 34 residues pruned to eliminate duplicates Z: 69 70.218 2.306 0.974 0.642 0.956 0.662 CA 1.714 69 residues pruned to eliminate duplicates Z: 46 54.191 2.212 1.113 0.691 0.933 0.711 CA 1.555 46 residues pruned to eliminate duplicates Z: 44 61.909 2.256 0.998 0.775 0.977 0.767 CA 1.681 44 residues pruned to eliminate duplicates Z: 93 75.570 2.284 0.930 0.601 0.957 0.620 CA 1.698 93 residues pruned to eliminate duplicates Z: 72 70.987 2.253 1.101 0.608 0.972 0.634 CB 1.653 72 residues pruned to eliminate duplicates Z: 84 70.403 2.240 0.988 0.632 0.952 0.602 CB 1.610 84 residues pruned to eliminate duplicates Z: 48 61.035 2.206 1.117 0.698 0.979 0.745 CB 1.626 48 residues pruned to eliminate duplicates Z: 92 78.513 2.300 1.114 0.594 0.923 0.626 CB 1.676 108 residues pruned to eliminate duplicates Z: 30 49.953 2.132 1.012 0.923 1.000 0.690 CB 1.519 30 residues pruned to eliminate duplicates Z: 48 66.253 2.240 1.204 0.737 0.957 0.681 CB 1.653 48 residues pruned to eliminate duplicates Z: 44 74.052 2.263 1.408 0.798 0.977 0.535 CB 1.634 44 residues pruned to eliminate duplicates Z: 95 74.969 2.269 1.092 0.595 0.904 0.500 CB 1.645 95 residues pruned to eliminate duplicates Z: 49 61.116 2.200 1.117 0.760 0.958 0.667 CB 1.569 49 residues pruned to eliminate duplicates Z: 45 56.920 2.229 1.234 0.785 0.932 0.500 CB 1.440 45 residues pruned to eliminate duplicates Z: 11 16.300 1.928 0.549 0.768 0.900 0.600 CA 1.512 11 residues pruned to eliminate duplicates Z: 43 54.666 2.246 1.089 0.807 0.929 0.548 CB 1.482 43 residues pruned to eliminate duplicates Z: 101 69.329 2.237 1.077 0.561 0.910 0.360 CB 1.546 101 residues pruned to eliminate duplicates Z: 71 62.064 2.214 1.138 0.580 0.929 0.457 CB 1.562 71 residues pruned to eliminate duplicates Z: 58 66.067 2.192 1.059 0.766 0.965 0.579 CB 1.588 58 residues pruned to eliminate duplicates Z: 57 62.692 2.181 1.084 0.777 0.946 0.536 CB 1.524 57 residues pruned to eliminate duplicates Z: 58 62.976 2.155 1.114 0.784 0.930 0.596 CB 1.533 42 residues pruned to eliminate duplicates Z: 16 13.952 1.736 0.314 0.769 0.933 0.667 CB 1.334 15 residues pruned to eliminate duplicates Z: 16 14.935 1.805 0.472 0.778 0.933 0.800 CB 1.216 15 residues pruned to eliminate duplicates Z: 14 11.956 1.875 0.278 0.800 0.923 0.769 CB 1.153 14 residues pruned to eliminate duplicates Z: 17 14.268 1.887 0.387 0.687 0.938 0.562 CB 1.225 17 residues pruned to eliminate duplicates Z: 35 35.702 2.007 0.819 0.762 0.941 0.471 CB 1.411 37 residues pruned to eliminate duplicates Z: 15 14.817 1.899 0.443 0.802 0.929 0.500 CB 1.195 13 residues pruned to eliminate duplicates Z: 14 15.544 1.964 0.343 0.801 0.923 0.462 CB 1.361 14 residues pruned to eliminate duplicates Z: 24 20.317 1.884 0.587 0.730 0.870 0.478 CB 1.325 24 residues pruned to eliminate duplicates Z: 42 50.610 2.104 0.955 0.877 0.951 0.634 CB 1.467 42 residues pruned to eliminate duplicates Z: 44 46.886 2.039 1.026 0.826 0.930 0.535 CB 1.403 44 residues pruned to eliminate duplicates Z: 15 16.110 1.849 0.419 0.794 0.929 0.571 CB 1.366 15 residues pruned to eliminate duplicates Z: 10 3.833 1.764 0.707 0.410 0.889 0.667 CB 0.525 Z: 7 5.400 1.349 0.940 0.505 0.833 0.500 CB 1.006 7 residues pruned to eliminate duplicates Z: 11 4.644 1.760 0.826 0.287 0.900 0.600 CB 0.645 11 residues pruned to eliminate duplicates Z: 7 4.912 1.871 0.899 0.413 1.000 0.667 CB 0.618 7 residues pruned to eliminate duplicates Z: 7 3.845 1.836 0.556 0.441 1.000 0.667 CB 0.584 7 residues pruned to eliminate duplicates Z: 33 21.209 1.981 0.439 0.591 0.906 0.656 CB 1.330 33 residues pruned to eliminate duplicates Z: 30 16.183 1.934 0.336 0.494 0.931 0.621 CB 1.257 30 residues pruned to eliminate duplicates Z: 32 25.796 2.050 0.551 0.606 0.935 0.613 CB 1.409 32 residues pruned to eliminate duplicates Z: 37 24.356 2.026 0.594 0.571 0.917 0.583 CB 1.280 47 residues pruned to eliminate duplicates Z: 30 30.616 2.058 0.626 0.674 0.931 0.724 CB 1.554 29 residues pruned to eliminate duplicates Z: 16 25.413 2.074 0.480 0.885 1.000 0.867 CA 1.543 16 residues pruned to eliminate duplicates Z: 29 24.034 2.047 0.490 0.630 0.893 0.643 CB 1.477 29 residues pruned to eliminate duplicates Z: 28 25.002 2.028 0.581 0.632 0.889 0.667 CB 1.491 28 residues pruned to eliminate duplicates Z: 35 24.789 2.022 0.585 0.582 0.941 0.647 CB 1.302 36 residues pruned to eliminate duplicates Z: 15 26.323 2.146 0.642 0.883 0.857 0.857 CA 1.684 15 residues pruned to eliminate duplicates Z: 28 26.890 2.050 0.586 0.698 0.926 0.889 CB 1.435 28 residues pruned to eliminate duplicates Z: 28 28.837 2.028 0.685 0.666 0.889 0.704 CA 1.567 28 residues pruned to eliminate duplicates Z: 17 25.739 2.072 0.640 0.884 0.938 0.812 CA 1.459 17 residues pruned to eliminate duplicates Z: 23 19.902 1.986 0.643 0.590 0.773 0.591 CA 1.544 23 residues pruned to eliminate duplicates Z: 28 34.522 2.080 0.753 0.708 0.963 0.741 CB 1.566 27 residues pruned to eliminate duplicates Z: 17 34.193 2.084 0.927 0.899 1.000 0.625 CA 1.521 18 residues pruned to eliminate duplicates Z: 16 30.965 2.145 0.830 0.858 0.933 0.600 CA 1.607 16 residues pruned to eliminate duplicates Z: 33 25.684 1.940 0.710 0.560 0.906 0.594 CB 1.424 33 residues pruned to eliminate duplicates Z: 29 25.805 1.983 0.723 0.616 0.893 0.679 CB 1.432 29 residues pruned to eliminate duplicates Z: 28 30.918 2.070 0.714 0.666 0.926 0.741 CB 1.554 28 residues pruned to eliminate duplicates Z: 28 36.085 2.094 0.765 0.722 0.963 0.741 CB 1.597 29 residues pruned to eliminate duplicates Z: 6 9.361 1.726 0.562 0.601 1.000 0.800 CA 1.410 6 residues pruned to eliminate duplicates Z: 26 28.370 2.074 0.572 0.719 0.880 0.760 CB 1.623 26 residues pruned to eliminate duplicates Z: 27 31.831 2.069 0.691 0.722 0.923 0.846 CB 1.581 27 residues pruned to eliminate duplicates Z: 32 31.724 2.057 0.636 0.653 0.935 0.677 CB 1.570 30 residues pruned to eliminate duplicates Z: 12 16.106 2.045 0.350 0.698 1.000 0.818 CA 1.468 12 residues pruned to eliminate duplicates Z: 85 49.651 2.162 0.660 0.624 0.940 0.738 CB 1.429 85 residues pruned to eliminate duplicates Z: 22 22.097 2.146 0.642 0.547 0.952 0.667 CB 1.373 22 residues pruned to eliminate duplicates Z: 12 20.689 2.241 0.995 0.523 0.909 0.636 CA 1.501 12 residues pruned to eliminate duplicates Z: 13 17.214 2.167 0.526 0.563 0.917 0.667 CB 1.542 13 residues pruned to eliminate duplicates Z: 12 14.842 2.198 0.718 0.545 0.818 0.545 CA 1.386 12 residues pruned to eliminate duplicates Z: 30 24.407 2.114 0.634 0.499 0.966 0.586 CB 1.360 30 residues pruned to eliminate duplicates Z: 30 25.570 2.126 0.856 0.497 0.897 0.517 CB 1.347 30 residues pruned to eliminate duplicates Z: 18 20.304 2.042 0.824 0.585 0.882 0.412 CB 1.380 18 residues pruned to eliminate duplicates Z: 53 29.166 2.029 0.737 0.442 0.846 0.442 CB 1.439 53 residues pruned to eliminate duplicates Z: 12 12.857 1.968 0.881 0.661 0.727 0.364 CB 1.240 12 residues pruned to eliminate duplicates Z: 13 13.104 1.899 0.854 0.562 0.833 0.500 CB 1.214 13 residues pruned to eliminate duplicates Z: 29 16.285 2.051 0.575 0.440 0.750 0.357 CB 1.352 29 residues pruned to eliminate duplicates Z: 26 20.903 2.089 0.722 0.536 0.880 0.400 CB 1.275 26 residues pruned to eliminate duplicates Z: 16 9.748 1.804 0.751 0.524 0.800 0.333 CB 0.973 27 residues pruned to eliminate duplicates Z: 12 7.050 1.669 0.079 0.441 0.909 0.636 CB 1.379 12 residues pruned to eliminate duplicates Z: 9 9.108 1.698 0.165 0.680 1.000 0.875 CB 1.380 10 residues pruned to eliminate duplicates Z: 14 21.601 1.935 0.477 0.939 1.000 0.923 CB 1.457 15 residues pruned to eliminate duplicates Z: 15 21.389 1.910 0.611 0.918 0.929 0.857 CB 1.411 15 residues pruned to eliminate duplicates Z: 15 21.864 1.894 0.714 0.857 1.000 0.786 CB 1.327 15 residues pruned to eliminate duplicates Z: 13 24.142 1.932 0.659 0.930 1.000 0.917 CB 1.520 13 residues pruned to eliminate duplicates Z: 12 18.137 1.834 0.800 0.795 1.000 0.455 CB 1.279 12 residues pruned to eliminate duplicates Z: 15 19.668 1.884 0.635 0.724 0.929 0.500 CA 1.501 14 residues pruned to eliminate duplicates Z: 15 24.260 1.886 0.696 0.894 1.000 0.429 CB 1.455 15 residues pruned to eliminate duplicates Z: 18 20.445 1.826 0.622 0.771 1.000 0.471 CB 1.316 18 residues pruned to eliminate duplicates Z: 14 13.708 1.818 0.707 0.822 0.846 0.385 CB 1.095 14 residues pruned to eliminate duplicates Z: 17 18.888 1.811 0.739 0.758 0.875 0.438 CB 1.362 17 residues pruned to eliminate duplicates Z: 56 29.593 1.889 0.601 0.605 0.909 0.491 CB 1.313 56 residues pruned to eliminate duplicates Z: 26 17.570 1.879 0.663 0.622 0.920 0.480 CB 1.089 26 residues pruned to eliminate duplicates Z: 139 62.190 2.124 0.720 0.554 0.920 0.558 CB 1.494 139 residues pruned to eliminate duplicates Z: 26 17.275 1.877 0.541 0.633 0.920 0.400 CB 1.146 26 residues pruned to eliminate duplicates Z: 26 16.468 1.899 0.566 0.620 0.880 0.400 CB 1.124 26 residues pruned to eliminate duplicates Z: 23 15.262 1.842 0.642 0.568 0.864 0.773 CB 1.167 23 residues pruned to eliminate duplicates Z: 15 5.387 1.807 0.549 0.355 0.929 0.500 CB 0.648 15 residues pruned to eliminate duplicates Z: 10 5.887 1.838 0.523 0.492 0.889 0.667 CB 0.795 10 residues pruned to eliminate duplicates Z: 26 17.408 1.879 0.676 0.651 0.920 0.440 CB 1.044 26 residues pruned to eliminate duplicates Z: 26 16.300 1.882 0.600 0.641 0.840 0.440 CB 1.130 26 residues pruned to eliminate duplicates Z: 11 5.286 1.964 0.584 0.335 1.000 0.500 CB 0.644 11 residues pruned to eliminate duplicates Z: 54 28.037 1.892 0.542 0.617 0.943 0.623 CB 1.253 54 residues pruned to eliminate duplicates Z: 27 17.675 1.899 0.654 0.629 0.885 0.423 CB 1.105 27 residues pruned to eliminate duplicates Z: 41 20.789 1.929 0.342 0.545 0.925 0.750 CB 1.313 41 residues pruned to eliminate duplicates Z: 30 11.010 1.736 0.362 0.458 0.897 0.690 CB 1.008 30 residues pruned to eliminate duplicates Z: 25 11.494 1.775 0.410 0.410 0.917 0.542 CB 1.124 25 residues pruned to eliminate duplicates Z: 26 25.562 1.937 0.557 0.684 0.960 0.800 CA 1.493 26 residues pruned to eliminate duplicates Z: 30 19.200 1.870 0.304 0.615 0.897 0.655 CA 1.462 30 residues pruned to eliminate duplicates Z: 15 23.314 2.021 0.449 0.795 1.000 0.714 CA 1.643 15 residues pruned to eliminate duplicates Z: 114 74.328 2.193 0.826 0.632 0.956 0.664 CB 1.614 114 residues pruned to eliminate duplicates Z: 25 22.193 2.013 0.360 0.602 0.917 0.542 CB 1.638 25 residues pruned to eliminate duplicates Z: 16 21.071 2.023 0.422 0.724 0.933 0.667 CB 1.657 16 residues pruned to eliminate duplicates Z: 18 16.699 1.900 0.340 0.648 0.882 0.765 CA 1.571 18 residues pruned to eliminate duplicates Z: 29 27.540 1.956 0.504 0.635 0.964 0.571 CA 1.617 29 residues pruned to eliminate duplicates Z: 27 24.510 1.929 0.500 0.653 0.923 0.731 CA 1.561 27 residues pruned to eliminate duplicates Z: 27 30.767 1.988 0.607 0.716 1.000 0.654 CA 1.554 27 residues pruned to eliminate duplicates Z: 39 22.228 1.878 0.492 0.506 0.895 0.553 CB 1.430 39 residues pruned to eliminate duplicates Z: 25 28.429 1.982 0.587 0.683 0.958 0.750 CA 1.627 25 residues pruned to eliminate duplicates Z: 26 24.573 1.923 0.519 0.593 1.000 0.720 CB 1.539 26 residues pruned to eliminate duplicates Z: 29 28.078 1.945 0.618 0.638 0.929 0.679 CA 1.596 29 residues pruned to eliminate duplicates Z: 27 25.679 1.959 0.515 0.662 0.962 0.692 CB 1.519 27 residues pruned to eliminate duplicates Z: 26 27.248 1.973 0.520 0.708 0.960 0.720 CA 1.566 26 residues pruned to eliminate duplicates Z: 29 26.936 1.959 0.516 0.669 0.929 0.714 CA 1.579 29 residues pruned to eliminate duplicates Z: 28 24.992 1.947 0.379 0.675 0.963 0.630 CB 1.583 28 residues pruned to eliminate duplicates Z: 30 23.980 1.921 0.454 0.602 0.931 0.690 CB 1.555 30 residues pruned to eliminate duplicates Z: 31 22.887 1.956 0.407 0.630 0.900 0.600 CB 1.494 31 residues pruned to eliminate duplicates Z: 27 28.426 1.999 0.431 0.690 1.000 0.692 CA 1.637 27 residues pruned to eliminate duplicates Z: 28 25.674 1.948 0.445 0.662 0.963 0.815 CA 1.568 28 residues pruned to eliminate duplicates Z: 29 25.648 1.914 0.489 0.647 0.929 0.607 CB 1.597 29 residues pruned to eliminate duplicates Z: 25 21.620 1.844 0.376 0.827 0.958 0.667 CB 1.368 25 residues pruned to eliminate duplicates Z: 19 19.837 1.879 0.461 0.806 0.944 0.833 CA 1.381 17 residues pruned to eliminate duplicates Z: 22 24.132 1.888 0.373 0.921 1.000 0.810 CA 1.429 22 residues pruned to eliminate duplicates Z: 18 19.208 1.867 0.560 0.791 1.000 0.647 CA 1.239 18 residues pruned to eliminate duplicates Z: 26 21.858 1.859 0.414 0.792 0.920 0.680 CB 1.399 26 residues pruned to eliminate duplicates Z: 33 24.393 1.838 0.538 0.725 0.938 0.656 CB 1.327 33 residues pruned to eliminate duplicates Z: 42 23.535 1.791 0.573 0.648 0.927 0.537 CB 1.227 42 residues pruned to eliminate duplicates Z: 29 20.793 1.831 0.460 0.737 0.893 0.714 CB 1.331 29 residues pruned to eliminate duplicates Z: 67 36.375 1.915 0.650 0.673 0.939 0.652 CB 1.286 64 residues pruned to eliminate duplicates Z: 22 15.877 1.799 0.518 0.901 0.857 0.667 CB 1.057 22 residues pruned to eliminate duplicates Z: 21 22.028 1.826 0.643 0.847 0.950 0.600 CB 1.283 21 residues pruned to eliminate duplicates Z: 33 23.915 1.813 0.637 0.718 0.969 0.438 CB 1.207 33 residues pruned to eliminate duplicates Z: 29 22.346 1.878 0.611 0.697 0.893 0.464 CB 1.307 29 residues pruned to eliminate duplicates Z: 28 22.081 1.873 0.534 0.707 0.889 0.481 CB 1.379 28 residues pruned to eliminate duplicates Z: 25 24.030 1.879 0.780 0.831 0.875 0.708 CB 1.259 25 residues pruned to eliminate duplicates Z: 48 24.971 1.829 0.563 0.623 0.936 0.468 CB 1.212 48 residues pruned to eliminate duplicates Z: 28 24.081 1.851 0.764 0.710 0.926 0.556 CB 1.267 28 residues pruned to eliminate duplicates Z: 39 19.054 1.780 0.515 0.654 0.895 0.632 CB 1.110 39 residues pruned to eliminate duplicates Z: 27 19.692 1.799 0.638 0.718 0.923 0.615 CB 1.165 27 residues pruned to eliminate duplicates Z: 36 24.128 1.809 0.575 0.687 0.971 0.629 CB 1.241 36 residues pruned to eliminate duplicates Z: 32 23.601 1.853 0.622 0.709 0.903 0.452 CB 1.292 32 residues pruned to eliminate duplicates Z: 33 26.509 1.880 0.620 0.749 0.969 0.531 CB 1.272 33 residues pruned to eliminate duplicates Z: 26 17.153 1.851 0.567 0.678 0.920 0.480 CB 1.092 26 residues pruned to eliminate duplicates Z: 34 22.896 1.869 0.705 0.711 0.879 0.515 CB 1.175 34 residues pruned to eliminate duplicates Z: 32 26.454 1.850 0.695 0.760 0.968 0.323 CB 1.242 32 residues pruned to eliminate duplicates Z: 42 24.383 1.864 0.578 0.653 0.976 0.659 CB 1.152 42 residues pruned to eliminate duplicates Z: 23 22.533 1.838 0.793 0.715 1.000 0.500 CB 1.199 23 residues pruned to eliminate duplicates Z: 9 4.413 1.742 0.197 0.460 0.875 0.625 CB 0.890 9 residues pruned to eliminate duplicates Z: 32 26.276 1.868 0.685 0.729 0.968 0.419 CB 1.260 32 residues pruned to eliminate duplicates Z: 35 21.363 1.851 0.637 0.639 0.882 0.559 CB 1.203 35 residues pruned to eliminate duplicates Z: 6 5.917 1.760 0.813 0.655 1.000 0.800 CB 0.718 6 residues pruned to eliminate duplicates Z: 40 25.024 1.804 0.589 0.719 0.949 0.538 CB 1.210 40 residues pruned to eliminate duplicates Z: 10 9.172 1.707 0.788 0.563 0.889 0.778 CB 1.060 10 residues pruned to eliminate duplicates Z: 11 5.489 1.652 0.236 0.651 0.900 0.800 CB 0.820 11 residues pruned to eliminate duplicates Z: 18 15.020 2.015 0.552 0.438 0.941 0.529 CB 1.320 17 residues pruned to eliminate duplicates Z: 6 15.814 2.276 0.991 0.710 1.000 0.800 CA 1.289 6 residues pruned to eliminate duplicates Z: 48 25.712 1.960 0.456 0.499 0.936 0.532 CB 1.406 48 residues pruned to eliminate duplicates Z: 50 30.306 1.963 0.594 0.552 0.939 0.531 CB 1.401 50 residues pruned to eliminate duplicates Z: 26 18.935 2.074 0.690 0.511 0.880 0.600 CB 1.215 26 residues pruned to eliminate duplicates Z: 48 23.786 1.897 0.654 0.488 0.787 0.596 CB 1.422 48 residues pruned to eliminate duplicates Z: 27 20.888 2.044 0.719 0.507 0.885 0.462 CB 1.309 27 residues pruned to eliminate duplicates Z: 7 6.617 1.463 0.487 0.722 1.000 0.667 CB 1.017 7 residues pruned to eliminate duplicates Z: 13 10.810 1.465 0.343 0.880 1.000 0.833 CB 1.150 13 residues pruned to eliminate duplicates Z: 14 10.507 1.481 0.756 0.668 0.846 0.538 CB 1.134 14 residues pruned to eliminate duplicates Z: 16 9.478 1.412 0.627 0.550 0.933 0.667 CB 1.087 16 residues pruned to eliminate duplicates Z: 13 9.692 1.486 0.434 0.768 0.917 0.833 CB 1.129 13 residues pruned to eliminate duplicates Z: 15 10.418 1.471 0.514 0.709 1.000 0.643 CB 1.034 15 residues pruned to eliminate duplicates Z: 16 11.041 1.491 0.392 0.759 0.933 0.733 CB 1.169 16 residues pruned to eliminate duplicates Z: 16 9.704 1.466 0.504 0.656 1.000 0.533 CB 0.982 16 residues pruned to eliminate duplicates Z: 10 6.041 1.386 0.647 0.643 0.778 0.556 CB 0.992 10 residues pruned to eliminate duplicates Z: 14 10.670 1.530 0.455 0.791 1.000 0.615 CB 1.030 14 residues pruned to eliminate duplicates Z: 38 32.926 1.967 0.530 0.736 0.973 0.649 CB 1.495 38 residues pruned to eliminate duplicates Z: 39 34.014 1.938 0.539 0.740 0.974 0.711 CB 1.533 39 residues pruned to eliminate duplicates Z: 35 33.866 2.016 0.533 0.789 1.000 0.676 CB 1.458 35 residues pruned to eliminate duplicates Z: 18 21.818 1.828 0.737 0.857 0.882 0.765 CB 1.391 18 residues pruned to eliminate duplicates Z: 35 32.534 2.034 0.518 0.787 0.941 0.706 CB 1.492 35 residues pruned to eliminate duplicates Z: 37 33.745 2.000 0.701 0.736 0.917 0.694 CB 1.459 37 residues pruned to eliminate duplicates Z: 37 33.162 1.980 0.587 0.762 0.944 0.611 CB 1.476 37 residues pruned to eliminate duplicates Z: 36 30.720 2.041 0.487 0.771 0.914 0.743 CB 1.472 36 residues pruned to eliminate duplicates Z: 38 31.557 1.968 0.629 0.755 0.919 0.622 CB 1.404 38 residues pruned to eliminate duplicates Z: 36 28.586 1.953 0.511 0.759 0.914 0.657 CB 1.422 36 residues pruned to eliminate duplicates Z: 36 29.616 1.983 0.580 0.758 0.886 0.600 CB 1.433 36 residues pruned to eliminate duplicates Z: 38 32.555 1.946 0.716 0.755 1.000 0.595 CB 1.277 38 residues pruned to eliminate duplicates Z: 57 35.789 1.950 0.570 0.731 0.911 0.696 CB 1.394 57 residues pruned to eliminate duplicates Z: 35 32.700 2.017 0.714 0.791 0.912 0.647 CB 1.378 35 residues pruned to eliminate duplicates Z: 35 34.595 2.018 0.699 0.771 0.941 0.676 CB 1.447 35 residues pruned to eliminate duplicates Z: 37 35.319 2.014 0.779 0.752 0.944 0.611 CB 1.390 37 residues pruned to eliminate duplicates Z: 36 37.382 2.034 0.679 0.770 1.000 0.714 CB 1.458 36 residues pruned to eliminate duplicates Z: 38 30.622 2.005 0.589 0.759 0.892 0.595 CB 1.407 38 residues pruned to eliminate duplicates Z: 39 31.941 1.945 0.635 0.747 0.947 0.605 CB 1.379 39 residues pruned to eliminate duplicates Z: 36 33.932 2.056 0.635 0.755 0.943 0.600 CB 1.442 36 residues pruned to eliminate duplicates Z: 30 25.482 1.915 0.673 0.629 0.897 0.690 CB 1.460 30 residues pruned to eliminate duplicates Z: 31 34.014 2.040 0.694 0.744 0.967 0.567 CB 1.494 31 residues pruned to eliminate duplicates Z: 37 28.747 1.972 0.524 0.768 0.944 0.611 CB 1.332 37 residues pruned to eliminate duplicates Z: 37 35.788 1.992 0.618 0.800 1.000 0.611 CB 1.424 37 residues pruned to eliminate duplicates Z: 36 33.406 1.987 0.676 0.757 0.971 0.543 CB 1.388 36 residues pruned to eliminate duplicates Z: 57 35.575 1.966 0.582 0.718 0.929 0.571 CB 1.352 55 residues pruned to eliminate duplicates Z: 6 9.416 1.554 0.674 0.671 1.000 0.600 CB 1.383 6 residues pruned to eliminate duplicates Z: 37 32.142 1.997 0.691 0.746 0.917 0.528 CB 1.388 37 residues pruned to eliminate duplicates Z: 61 36.555 2.023 0.556 0.667 0.917 0.650 CB 1.402 78 residues pruned to eliminate duplicates Z: 6 9.669 1.795 0.415 0.872 1.000 1.000 CB 1.241 6 residues pruned to eliminate duplicates Z: 8 5.013 1.466 0.656 0.708 0.857 0.571 CB 0.754 6 residues pruned to eliminate duplicates Z: 7 4.105 1.675 0.036 0.495 0.833 0.667 CB 1.165 7 residues pruned to eliminate duplicates Z: 9 4.843 1.749 0.237 0.525 0.750 0.375 CB 1.029 11 residues pruned to eliminate duplicates Z: 11 20.971 1.985 0.700 0.892 1.000 0.700 CB 1.411 11 residues pruned to eliminate duplicates Z: 40 36.390 2.014 0.783 0.743 0.923 0.795 CB 1.414 40 residues pruned to eliminate duplicates Z: 12 17.865 1.873 0.635 0.835 0.909 0.636 CB 1.450 12 residues pruned to eliminate duplicates Z: 17 13.901 1.806 0.638 0.663 0.875 0.625 CB 1.155 17 residues pruned to eliminate duplicates Z: 39 33.718 2.048 0.581 0.739 0.921 0.789 CB 1.480 39 residues pruned to eliminate duplicates Z: 29 42.486 2.134 0.875 0.810 0.964 0.714 CB 1.588 29 residues pruned to eliminate duplicates Z: 28 27.702 2.035 0.654 0.730 0.926 0.741 CB 1.391 28 residues pruned to eliminate duplicates Z: 37 33.997 1.958 0.625 0.760 0.972 0.778 CB 1.454 37 residues pruned to eliminate duplicates Z: 46 31.028 1.950 0.487 0.720 0.889 0.667 CB 1.472 46 residues pruned to eliminate duplicates Z: 36 35.812 2.011 0.807 0.704 0.971 0.657 CB 1.424 36 residues pruned to eliminate duplicates Z: 41 29.602 1.887 0.682 0.688 0.925 0.700 CB 1.342 41 residues pruned to eliminate duplicates Z: 40 40.064 1.983 0.789 0.801 0.974 0.769 CB 1.426 40 residues pruned to eliminate duplicates Z: 30 37.427 1.920 0.713 0.881 1.000 0.828 CA 1.530 28 residues pruned to eliminate duplicates Z: 30 27.100 1.878 0.377 0.902 0.966 0.793 CA 1.437 30 residues pruned to eliminate duplicates Z: 43 33.718 1.975 0.657 0.704 0.952 0.714 CB 1.387 43 residues pruned to eliminate duplicates Z: 36 38.702 2.008 0.638 0.791 1.000 0.657 CB 1.540 36 residues pruned to eliminate duplicates Z: 33 32.902 2.014 0.784 0.753 0.906 0.625 CB 1.425 33 residues pruned to eliminate duplicates Z: 62 35.895 1.897 0.524 0.741 0.934 0.738 CB 1.371 61 residues pruned to eliminate duplicates Z: 26 37.050 2.019 0.744 0.899 1.000 0.680 CA 1.505 26 residues pruned to eliminate duplicates Z: 42 32.176 2.003 0.655 0.689 0.927 0.732 CB 1.375 42 residues pruned to eliminate duplicates Z: 37 35.608 2.010 0.790 0.703 0.972 0.583 CB 1.411 37 residues pruned to eliminate duplicates Z: 44 44.139 2.004 0.817 0.774 1.000 0.674 CB 1.451 44 residues pruned to eliminate duplicates Z: 26 35.698 2.014 0.723 0.896 0.920 0.680 CA 1.601 26 residues pruned to eliminate duplicates Z: 45 36.067 1.965 0.556 0.760 1.000 0.614 CB 1.411 45 residues pruned to eliminate duplicates Z: 46 38.305 1.968 0.727 0.778 0.978 0.556 CB 1.345 46 residues pruned to eliminate duplicates Z: 31 40.983 2.090 0.852 0.769 1.000 0.567 CB 1.523 31 residues pruned to eliminate duplicates Z: 37 38.011 2.079 0.753 0.752 0.972 0.667 CB 1.429 37 residues pruned to eliminate duplicates Z: 41 43.094 1.993 0.878 0.778 1.000 0.525 CB 1.425 41 residues pruned to eliminate duplicates Z: 48 27.115 1.889 0.576 0.667 0.851 0.617 CB 1.337 48 residues pruned to eliminate duplicates Z: 50 34.727 1.942 0.717 0.757 0.898 0.531 CB 1.318 50 residues pruned to eliminate duplicates Z: 37 34.455 1.943 0.806 0.742 0.889 0.639 CB 1.482 37 residues pruned to eliminate duplicates Z: 48 38.880 1.963 0.708 0.802 0.957 0.617 CB 1.356 48 residues pruned to eliminate duplicates Z: 45 30.485 1.902 0.811 0.717 0.864 0.477 CB 1.270 45 residues pruned to eliminate duplicates Z: 39 41.247 1.996 0.940 0.843 0.895 0.447 CB 1.438 39 residues pruned to eliminate duplicates Z: 47 34.184 1.966 0.722 0.768 0.870 0.457 CB 1.351 47 residues pruned to eliminate duplicates Z: 10 10.889 1.746 0.784 0.860 0.667 0.333 CB 1.285 10 residues pruned to eliminate duplicates Z: 46 39.205 1.945 0.952 0.791 0.933 0.422 CB 1.278 46 residues pruned to eliminate duplicates Z: 53 38.413 1.923 0.761 0.800 0.942 0.500 CB 1.284 53 residues pruned to eliminate duplicates Z: 65 34.502 1.827 0.702 0.673 0.891 0.438 CB 1.328 65 residues pruned to eliminate duplicates Z: 54 33.481 1.910 0.683 0.738 0.943 0.660 CB 1.225 54 residues pruned to eliminate duplicates Z: 13 4.654 1.534 0.263 0.383 0.750 0.417 CB 1.047 13 residues pruned to eliminate duplicates Z: 14 13.988 1.715 0.273 0.762 1.000 0.846 CB 1.408 14 residues pruned to eliminate duplicates Z: 13 12.164 1.710 0.378 0.730 0.917 0.667 CB 1.322 13 residues pruned to eliminate duplicates Z: 50 33.403 1.859 0.793 0.721 0.878 0.490 CB 1.337 50 residues pruned to eliminate duplicates Z: 13 8.606 1.715 0.148 0.781 0.917 0.833 CB 1.074 13 residues pruned to eliminate duplicates Z: 12 12.570 1.607 0.773 0.691 0.909 0.636 CB 1.228 12 residues pruned to eliminate duplicates Z: 12 14.916 1.834 0.346 0.888 1.000 0.727 CB 1.312 12 residues pruned to eliminate duplicates Z: 14 9.919 1.669 0.404 0.616 0.846 0.538 CB 1.243 14 residues pruned to eliminate duplicates Z: 13 17.374 1.724 0.651 0.828 1.000 0.417 CB 1.327 12 residues pruned to eliminate duplicates Z: 12 18.762 1.780 0.732 0.904 1.000 0.545 CB 1.307 13 residues pruned to eliminate duplicates Z: 11 15.881 1.782 0.758 0.909 0.900 0.900 CB 1.265 11 residues pruned to eliminate duplicates Z: 15 13.871 1.708 0.681 0.753 0.857 0.571 CB 1.202 15 residues pruned to eliminate duplicates Z: 7 6.485 1.643 0.469 0.682 0.833 0.500 CB 1.114 7 residues pruned to eliminate duplicates Z: 8 5.255 1.501 0.520 0.725 0.857 0.571 CB 0.830 8 residues pruned to eliminate duplicates Z: 7 8.736 1.570 0.654 0.854 1.000 0.333 CA 1.015 7 residues pruned to eliminate duplicates Z: 8 8.627 1.531 0.509 0.852 1.000 0.857 CB 1.044 8 residues pruned to eliminate duplicates Z: 6 2.260 1.463 -0.005 0.279 0.800 0.400 CA 1.114 Z: 31 22.750 1.990 0.405 0.590 0.900 0.633 CB 1.515 37 residues pruned to eliminate duplicates Z: 30 24.801 2.010 0.370 0.611 0.966 0.759 CA 1.558 30 residues pruned to eliminate duplicates Z: 29 24.424 2.030 0.447 0.628 0.929 0.714 CB 1.501 29 residues pruned to eliminate duplicates Z: 27 30.309 2.043 0.646 0.702 0.923 0.846 CB 1.593 27 residues pruned to eliminate duplicates Z: 32 24.548 2.002 0.446 0.593 0.903 0.710 CA 1.543 32 residues pruned to eliminate duplicates Z: 30 26.363 1.923 0.551 0.635 0.966 0.793 CB 1.498 28 residues pruned to eliminate duplicates Z: 18 27.978 1.999 0.636 0.899 1.000 0.941 CA 1.483 18 residues pruned to eliminate duplicates Z: 28 27.145 2.024 0.549 0.630 0.926 0.741 CB 1.592 28 residues pruned to eliminate duplicates Z: 18 28.250 1.933 0.660 0.854 1.000 0.824 CB 1.577 18 residues pruned to eliminate duplicates Z: 34 21.129 1.900 0.436 0.610 0.879 0.758 CB 1.382 34 residues pruned to eliminate duplicates Z: 47 26.213 1.930 0.458 0.570 0.913 0.609 CB 1.406 56 residues pruned to eliminate duplicates Z: 17 27.859 2.101 0.655 0.869 0.938 0.875 CA 1.561 25 residues pruned to eliminate duplicates Z: 17 29.323 2.092 0.642 0.908 1.000 0.875 CA 1.516 17 residues pruned to eliminate duplicates Z: 33 22.646 1.895 0.485 0.575 0.906 0.719 CB 1.460 28 residues pruned to eliminate duplicates Z: 17 29.559 2.092 0.680 0.881 1.000 0.812 CA 1.522 22 residues pruned to eliminate duplicates Z: 18 25.485 2.124 0.413 0.776 1.000 0.824 CA 1.615 18 residues pruned to eliminate duplicates Z: 30 23.235 1.971 0.546 0.559 0.897 0.552 CB 1.491 30 residues pruned to eliminate duplicates Z: 28 30.819 2.020 0.668 0.670 1.000 0.778 CB 1.504 28 residues pruned to eliminate duplicates Z: 29 28.158 2.007 0.585 0.658 0.929 0.821 CB 1.556 29 residues pruned to eliminate duplicates Z: 32 25.207 1.983 0.498 0.620 0.935 0.742 CB 1.455 32 residues pruned to eliminate duplicates Z: 30 31.049 2.045 0.626 0.653 0.966 0.690 CB 1.558 30 residues pruned to eliminate duplicates Z: 27 30.899 2.030 0.554 0.719 1.000 0.808 CA 1.576 27 residues pruned to eliminate duplicates Z: 27 30.142 2.060 0.560 0.711 0.962 0.846 CA 1.580 27 residues pruned to eliminate duplicates Z: 49 25.768 1.897 0.449 0.550 0.875 0.562 CA 1.472 49 residues pruned to eliminate duplicates Z: 29 26.888 2.013 0.581 0.672 0.893 0.821 CA 1.525 29 residues pruned to eliminate duplicates Z: 80 66.884 2.230 0.908 0.697 0.937 0.696 CB 1.577 80 residues pruned to eliminate duplicates Z: 87 60.826 2.293 0.794 0.595 0.942 0.686 CB 1.546 87 residues pruned to eliminate duplicates Z: 58 59.021 2.232 0.887 0.795 0.930 0.772 CB 1.541 58 residues pruned to eliminate duplicates Z: 47 55.004 2.250 0.882 0.785 0.935 0.761 CB 1.595 47 residues pruned to eliminate duplicates Z: 49 62.044 2.304 0.819 0.831 0.958 0.792 CA 1.675 49 residues pruned to eliminate duplicates Z: 62 59.643 2.226 0.731 0.758 0.967 0.672 CB 1.629 62 residues pruned to eliminate duplicates Z: 117 68.219 2.221 0.815 0.627 0.914 0.621 CB 1.527 117 residues pruned to eliminate duplicates Z: 63 57.532 2.240 0.772 0.769 0.919 0.790 CB 1.578 63 residues pruned to eliminate duplicates Z: 64 59.192 2.196 0.826 0.757 0.952 0.683 CB 1.553 64 residues pruned to eliminate duplicates Z: 56 49.487 2.147 0.785 0.709 0.927 0.764 CB 1.553 56 residues pruned to eliminate duplicates Z: 105 62.214 2.245 0.711 0.590 0.933 0.587 CB 1.561 105 residues pruned to eliminate duplicates Z: 60 61.665 2.230 1.018 0.757 0.915 0.661 CB 1.550 60 residues pruned to eliminate duplicates Z: 105 56.214 2.190 0.770 0.578 0.904 0.635 CB 1.459 105 residues pruned to eliminate duplicates Z: 115 58.096 2.163 0.750 0.594 0.912 0.649 CB 1.441 115 residues pruned to eliminate duplicates Z: 116 65.692 2.180 0.818 0.607 0.957 0.591 CB 1.460 116 residues pruned to eliminate duplicates Z: 48 66.353 2.266 1.068 0.788 0.957 0.745 CB 1.674 48 residues pruned to eliminate duplicates Z: 95 62.189 2.189 0.825 0.602 0.936 0.638 CB 1.557 92 residues pruned to eliminate duplicates Z: 32 42.968 2.159 0.659 0.932 1.000 0.839 CA 1.505 32 residues pruned to eliminate duplicates Z: 118 69.753 2.207 0.833 0.620 0.940 0.590 CB 1.514 118 residues pruned to eliminate duplicates Z: 46 61.736 2.290 0.872 0.798 0.978 0.756 CB 1.691 46 residues pruned to eliminate duplicates Z: 27 32.188 2.208 0.628 0.727 0.923 0.769 CA 1.551 27 residues pruned to eliminate duplicates Z: 59 60.488 2.262 0.774 0.793 0.966 0.759 CB 1.586 61 residues pruned to eliminate duplicates Z: 32 38.613 2.152 0.464 0.930 1.000 0.903 CA 1.539 32 residues pruned to eliminate duplicates Z: 64 67.679 2.204 0.952 0.781 0.952 0.714 CB 1.625 62 residues pruned to eliminate duplicates Z: 30 38.864 2.239 0.502 0.934 0.966 0.897 CA 1.550 30 residues pruned to eliminate duplicates Z: 64 61.264 2.216 0.952 0.751 0.921 0.635 CB 1.550 64 residues pruned to eliminate duplicates Z: 34 42.746 2.221 0.702 0.797 0.939 0.879 CA 1.616 34 residues pruned to eliminate duplicates Z: 42 48.563 2.253 1.006 0.709 0.902 0.659 CB 1.538 42 residues pruned to eliminate duplicates Z: 84 65.386 2.234 0.805 0.665 0.964 0.675 CB 1.586 84 residues pruned to eliminate duplicates Z: 63 71.248 2.239 1.020 0.777 0.984 0.677 CB 1.592 64 residues pruned to eliminate duplicates Z: 32 53.625 2.192 0.848 0.944 1.000 0.871 CA 1.646 32 residues pruned to eliminate duplicates Z: 77 64.532 2.160 0.978 0.716 0.947 0.605 CB 1.504 62 residues pruned to eliminate duplicates Z: 30 49.164 2.250 0.783 0.939 1.000 0.828 CA 1.581 30 residues pruned to eliminate duplicates Z: 117 66.391 2.226 0.851 0.631 0.905 0.621 CB 1.462 117 residues pruned to eliminate duplicates Z: 63 61.170 2.236 0.938 0.780 0.935 0.710 CB 1.498 63 residues pruned to eliminate duplicates Z: 59 60.835 2.197 1.083 0.774 0.948 0.638 CB 1.445 59 residues pruned to eliminate duplicates Z: 103 69.167 2.246 0.863 0.616 0.941 0.598 CB 1.558 103 residues pruned to eliminate duplicates Z: 31 50.545 2.242 0.885 0.876 1.000 0.667 CB 1.587 31 residues pruned to eliminate duplicates Z: 46 58.746 2.238 1.099 0.796 0.956 0.511 CB 1.506 46 residues pruned to eliminate duplicates Z: 118 64.303 2.200 0.851 0.608 0.897 0.504 CB 1.468 118 residues pruned to eliminate duplicates Z: 33 45.741 2.230 0.933 0.823 0.906 0.469 CB 1.564 33 residues pruned to eliminate duplicates Z: 61 62.228 2.198 1.097 0.740 0.950 0.633 CB 1.479 61 residues pruned to eliminate duplicates Z: 102 66.854 2.213 0.910 0.588 0.950 0.594 CB 1.521 102 residues pruned to eliminate duplicates Z: 98 60.059 2.218 0.896 0.589 0.907 0.433 CB 1.468 98 residues pruned to eliminate duplicates Z: 17 16.612 1.968 0.502 0.723 0.875 0.438 CB 1.313 17 residues pruned to eliminate duplicates Z: 13 15.601 2.054 0.726 0.718 0.917 0.667 CB 1.137 13 residues pruned to eliminate duplicates Z: 16 14.861 2.018 0.583 0.660 0.867 0.667 CB 1.195 16 residues pruned to eliminate duplicates Z: 12 20.324 2.112 0.698 0.732 1.000 0.818 CB 1.386 12 residues pruned to eliminate duplicates Z: 13 15.177 2.057 0.775 0.652 0.833 0.833 CB 1.249 13 residues pruned to eliminate duplicates Z: 13 20.014 2.129 0.733 0.740 0.917 0.583 CB 1.378 13 residues pruned to eliminate duplicates Z: 58 57.265 2.211 1.038 0.760 0.895 0.509 CB 1.494 58 residues pruned to eliminate duplicates Z: 14 22.170 2.147 0.768 0.746 0.923 0.692 CB 1.409 14 residues pruned to eliminate duplicates Z: 13 26.153 2.133 1.035 0.738 0.917 0.417 CB 1.532 13 residues pruned to eliminate duplicates Z: 116 66.151 2.213 0.906 0.617 0.913 0.530 CB 1.434 116 residues pruned to eliminate duplicates Z: 16 20.352 2.073 0.759 0.674 0.867 0.533 CB 1.417 16 residues pruned to eliminate duplicates Z: 13 27.405 2.132 0.882 0.765 1.000 0.667 CB 1.558 13 residues pruned to eliminate duplicates Z: 25 27.460 2.048 0.752 0.720 0.875 0.542 CB 1.464 25 residues pruned to eliminate duplicates Z: 32 25.158 1.986 0.658 0.627 0.871 0.548 CB 1.398 33 residues pruned to eliminate duplicates Z: 12 14.017 1.991 0.273 0.882 0.909 0.727 CA 1.328 12 residues pruned to eliminate duplicates Z: 54 37.278 2.207 0.754 0.505 0.906 0.566 CB 1.454 13 residues pruned to eliminate duplicates Z: 10 20.530 2.081 0.676 0.865 1.000 0.778 CB 1.437 10 residues pruned to eliminate duplicates Z: 14 16.162 1.981 0.787 0.646 0.923 0.231 CB 1.197 14 residues pruned to eliminate duplicates Z: 16 17.225 2.046 0.804 0.577 0.867 0.200 CB 1.292 16 residues pruned to eliminate duplicates Z: 56 31.537 2.133 0.594 0.494 0.891 0.436 CB 1.413 56 residues pruned to eliminate duplicates Z: 16 14.305 2.051 0.617 0.608 0.933 0.200 CB 1.076 16 residues pruned to eliminate duplicates Z: 9 11.948 2.082 0.598 0.671 0.750 0.125 CB 1.446 9 residues pruned to eliminate duplicates Z: 50 28.695 2.121 0.604 0.468 0.878 0.367 CB 1.418 50 residues pruned to eliminate duplicates Z: 62 36.854 2.168 0.749 0.449 0.918 0.541 CB 1.428 62 residues pruned to eliminate duplicates Z: 53 31.758 2.143 0.674 0.470 0.865 0.462 CB 1.462 53 residues pruned to eliminate duplicates Z: 61 36.632 2.205 0.682 0.446 0.900 0.433 CB 1.498 61 residues pruned to eliminate duplicates Z: 28 26.093 2.171 0.691 0.583 0.815 0.519 CB 1.549 28 residues pruned to eliminate duplicates Z: 111 61.433 2.199 0.765 0.632 0.891 0.627 CB 1.497 111 residues pruned to eliminate duplicates Z: 23 23.684 2.157 0.832 0.525 0.864 0.500 CB 1.443 23 residues pruned to eliminate duplicates Z: 118 60.423 2.157 0.789 0.583 0.897 0.598 CB 1.491 39 residues pruned to eliminate duplicates Z: 12 22.126 2.242 0.595 0.726 1.000 0.727 CB 1.522 12 residues pruned to eliminate duplicates Z: 28 34.433 2.181 0.803 0.599 0.963 0.630 CB 1.592 28 residues pruned to eliminate duplicates Z: 62 38.428 2.172 0.792 0.449 0.902 0.541 CB 1.476 62 residues pruned to eliminate duplicates Z: 47 29.692 2.184 0.672 0.402 0.891 0.565 CB 1.492 47 residues pruned to eliminate duplicates Z: 55 32.852 2.201 0.650 0.446 0.870 0.556 CB 1.494 55 residues pruned to eliminate duplicates Z: 112 65.370 2.192 0.776 0.632 0.937 0.703 CB 1.502 112 residues pruned to eliminate duplicates Z: 86 61.736 2.257 0.779 0.622 0.941 0.682 CB 1.578 86 residues pruned to eliminate duplicates Z: 90 47.669 2.147 0.628 0.558 0.888 0.629 CB 1.539 90 residues pruned to eliminate duplicates Z: 61 36.231 2.158 0.762 0.433 0.917 0.467 CB 1.438 61 residues pruned to eliminate duplicates Z: 43 26.197 2.192 0.619 0.421 0.881 0.524 CB 1.404 43 residues pruned to eliminate duplicates Z: 55 32.130 2.202 0.664 0.453 0.870 0.500 CB 1.439 55 residues pruned to eliminate duplicates Z: 36 21.787 2.184 0.639 0.326 0.829 0.457 CB 1.503 36 residues pruned to eliminate duplicates Z: 119 67.476 2.215 0.755 0.624 0.949 0.610 CB 1.498 133 residues pruned to eliminate duplicates Z: 7 9.756 1.686 1.174 0.439 0.833 0.333 CA 1.390 7 residues pruned to eliminate duplicates Z: 53 31.515 2.199 0.716 0.443 0.865 0.481 CB 1.420 53 residues pruned to eliminate duplicates Z: 60 29.893 2.104 0.623 0.445 0.898 0.492 CB 1.343 60 residues pruned to eliminate duplicates Z: 53 31.569 2.195 0.616 0.453 0.885 0.423 CB 1.464 53 residues pruned to eliminate duplicates Z: 53 32.802 2.177 0.714 0.439 0.904 0.538 CB 1.436 53 residues pruned to eliminate duplicates Z: 43 28.028 2.240 0.633 0.444 0.881 0.548 CB 1.422 43 residues pruned to eliminate duplicates Z: 64 34.450 2.172 0.713 0.456 0.857 0.524 CB 1.423 64 residues pruned to eliminate duplicates Z: 107 55.294 2.190 0.634 0.581 0.887 0.613 CB 1.566 106 residues pruned to eliminate duplicates Z: 6 5.323 1.795 0.444 0.770 0.600 0.400 N 1.206 6 residues pruned to eliminate duplicates Z: 53 36.063 2.234 0.684 0.499 0.923 0.558 CB 1.442 53 residues pruned to eliminate duplicates Z: 52 36.634 2.220 0.764 0.485 0.902 0.471 CB 1.475 52 residues pruned to eliminate duplicates Z: 64 37.788 2.170 0.701 0.459 0.937 0.508 CB 1.436 64 residues pruned to eliminate duplicates Z: 53 32.925 2.209 0.725 0.427 0.904 0.654 CB 1.430 53 residues pruned to eliminate duplicates Z: 52 33.446 2.208 0.701 0.458 0.902 0.451 CB 1.444 52 residues pruned to eliminate duplicates Z: 64 31.356 2.071 0.702 0.425 0.873 0.508 CB 1.389 64 residues pruned to eliminate duplicates Z: 60 29.887 2.141 0.573 0.437 0.898 0.492 CB 1.373 60 residues pruned to eliminate duplicates Z: 61 35.179 2.204 0.682 0.454 0.867 0.500 CB 1.482 61 residues pruned to eliminate duplicates Z: 53 33.338 2.210 0.595 0.439 0.923 0.577 CB 1.513 53 residues pruned to eliminate duplicates Z: 61 39.726 2.188 0.704 0.500 0.900 0.667 CB 1.528 61 residues pruned to eliminate duplicates Z: 64 38.282 2.156 0.664 0.457 0.968 0.492 CB 1.451 64 residues pruned to eliminate duplicates Z: 65 50.948 2.223 0.697 0.646 0.938 0.750 CB 1.572 65 residues pruned to eliminate duplicates Z: 63 34.057 2.186 0.697 0.445 0.871 0.468 CB 1.417 63 residues pruned to eliminate duplicates Z: 78 51.251 2.228 0.681 0.580 0.935 0.623 CB 1.545 78 residues pruned to eliminate duplicates Z: 61 38.558 2.209 0.670 0.475 0.933 0.500 CB 1.483 61 residues pruned to eliminate duplicates Z: 31 21.229 2.113 0.595 0.312 0.933 0.400 CB 1.517 31 residues pruned to eliminate duplicates Z: 65 38.961 2.174 0.683 0.448 0.906 0.516 CB 1.548 65 residues pruned to eliminate duplicates Z: 116 68.690 2.232 0.802 0.630 0.939 0.635 CB 1.501 118 residues pruned to eliminate duplicates Z: 6 13.746 1.999 0.791 0.770 1.000 0.600 N 1.352 6 residues pruned to eliminate duplicates Z: 59 31.044 2.069 0.785 0.416 0.879 0.397 CB 1.370 59 residues pruned to eliminate duplicates 6 1.738 1.915 0.486 0.100 0.800 0.200 CB 0.569 ? Z: 29 13.609 1.833 0.459 0.503 0.821 0.571 CB 1.167 Z: 7 3.591 1.366 0.733 0.314 0.833 0.500 CB 0.913 7 residues pruned to eliminate duplicates Z: 27 16.985 1.890 0.496 0.567 0.923 0.500 CB 1.196 28 residues pruned to eliminate duplicates Z: 18 21.380 1.851 0.467 0.848 1.000 0.765 CB 1.417 21 residues pruned to eliminate duplicates Z: 15 22.623 1.928 0.547 0.912 1.000 0.643 CB 1.436 24 residues pruned to eliminate duplicates Z: 17 19.579 1.784 0.445 0.882 1.000 0.688 CA 1.374 17 residues pruned to eliminate duplicates Z: 26 18.665 1.940 0.598 0.581 0.880 0.480 CB 1.266 16 residues pruned to eliminate duplicates Z: 18 23.377 1.816 0.589 0.895 1.000 0.706 CA 1.409 23 residues pruned to eliminate duplicates Z: 16 25.118 1.903 0.718 0.863 1.000 0.800 CA 1.456 16 residues pruned to eliminate duplicates Z: 26 19.957 1.962 0.578 0.578 0.960 0.520 CB 1.246 28 residues pruned to eliminate duplicates Z: 17 22.561 1.901 0.642 0.896 0.938 0.625 CA 1.380 17 residues pruned to eliminate duplicates Z: 21 19.611 1.954 0.645 0.655 0.900 0.600 CB 1.313 21 residues pruned to eliminate duplicates Z: 26 20.306 1.852 0.511 0.579 0.880 0.560 CA 1.529 23 residues pruned to eliminate duplicates Z: 16 26.545 1.926 0.680 0.893 1.000 0.667 CB 1.521 16 residues pruned to eliminate duplicates Z: 30 21.988 1.862 0.623 0.632 0.862 0.655 CB 1.384 28 residues pruned to eliminate duplicates Z: 7 9.215 1.861 0.366 0.801 0.833 0.667 CB 1.365 7 residues pruned to eliminate duplicates Z: 29 16.061 1.860 0.515 0.528 0.893 0.357 CB 1.173 29 residues pruned to eliminate duplicates Z: 24 19.472 1.954 0.563 0.580 0.913 0.391 CB 1.348 24 residues pruned to eliminate duplicates Z: 21 18.152 1.924 0.575 0.700 0.850 0.300 CB 1.313 21 residues pruned to eliminate duplicates Z: 25 19.868 1.955 0.524 0.605 0.917 0.250 CB 1.344 25 residues pruned to eliminate duplicates Z: 26 18.188 1.819 0.637 0.556 0.880 0.360 CB 1.314 26 residues pruned to eliminate duplicates Z: 28 24.327 1.860 0.679 0.675 0.926 0.481 CB 1.378 28 residues pruned to eliminate duplicates Z: 8 10.603 2.030 0.837 0.690 0.857 0.714 CB 1.054 8 residues pruned to eliminate duplicates Z: 10 7.118 1.988 0.683 0.546 0.778 0.667 CB 0.872 9 residues pruned to eliminate duplicates Z: 20 23.848 1.837 0.928 0.838 0.947 0.526 CB 1.219 20 residues pruned to eliminate duplicates Z: 45 21.146 1.928 0.652 0.453 0.886 0.568 CB 1.184 45 residues pruned to eliminate duplicates Z: 83 36.960 1.998 0.686 0.497 0.939 0.646 CB 1.294 80 residues pruned to eliminate duplicates Z: 7 11.165 1.797 0.565 0.866 1.000 1.000 CB 1.187 7 residues pruned to eliminate duplicates Z: 44 19.365 1.945 0.602 0.491 0.837 0.628 CB 1.142 44 residues pruned to eliminate duplicates Z: 35 14.535 1.911 0.463 0.446 0.824 0.559 CB 1.144 35 residues pruned to eliminate duplicates Z: 20 11.522 1.931 0.626 0.428 0.842 0.526 CB 1.078 20 residues pruned to eliminate duplicates Z: 35 13.806 1.835 0.384 0.418 0.882 0.529 CB 1.151 35 residues pruned to eliminate duplicates Z: 29 13.744 1.900 0.542 0.503 0.821 0.643 CB 1.076 29 residues pruned to eliminate duplicates Z: 26 9.810 1.690 0.315 0.368 0.840 0.480 CB 1.211 26 residues pruned to eliminate duplicates Z: 36 15.793 1.876 0.671 0.481 0.829 0.714 CB 1.048 36 residues pruned to eliminate duplicates Z: 25 13.610 1.872 0.581 0.533 0.875 0.708 CB 1.039 25 residues pruned to eliminate duplicates Z: 42 17.971 1.910 0.476 0.449 0.927 0.585 CB 1.131 42 residues pruned to eliminate duplicates Z: 21 11.884 1.929 0.355 0.509 0.900 0.600 CB 1.119 21 residues pruned to eliminate duplicates Z: 31 14.171 1.958 0.506 0.515 0.833 0.633 CB 1.037 31 residues pruned to eliminate duplicates Z: 23 13.550 1.893 0.521 0.472 0.864 0.727 CB 1.195 23 residues pruned to eliminate duplicates Z: 82 33.796 1.972 0.728 0.493 0.889 0.630 CB 1.249 82 residues pruned to eliminate duplicates Z: 20 11.911 1.940 0.461 0.490 0.895 0.737 CB 1.089 20 residues pruned to eliminate duplicates Z: 22 12.239 1.927 0.496 0.506 0.810 0.619 CB 1.137 22 residues pruned to eliminate duplicates Z: 25 11.491 1.911 0.297 0.430 0.833 0.583 CB 1.221 25 residues pruned to eliminate duplicates Z: 72 29.262 1.983 0.579 0.501 0.887 0.592 CB 1.249 72 residues pruned to eliminate duplicates Z: 54 30.341 1.988 0.660 0.530 0.925 0.566 CB 1.326 54 residues pruned to eliminate duplicates Z: 72 34.488 2.002 0.793 0.505 0.915 0.620 CB 1.240 72 residues pruned to eliminate duplicates Z: 43 21.037 1.933 0.716 0.473 0.857 0.548 CB 1.174 43 residues pruned to eliminate duplicates Z: 71 31.518 2.014 0.636 0.485 0.943 0.600 CB 1.231 71 residues pruned to eliminate duplicates Z: 64 27.955 1.971 0.539 0.449 0.937 0.524 CB 1.306 64 residues pruned to eliminate duplicates Z: 10 5.491 1.899 0.244 0.415 0.778 0.444 CB 1.089 10 residues pruned to eliminate duplicates Z: 72 33.898 2.005 0.640 0.520 0.958 0.577 CB 1.251 72 residues pruned to eliminate duplicates Z: 45 28.075 2.001 0.572 0.496 0.977 0.545 CB 1.382 45 residues pruned to eliminate duplicates Z: 54 35.730 2.022 0.784 0.540 0.981 0.585 CB 1.334 54 residues pruned to eliminate duplicates Z: 19 14.013 1.931 0.585 0.471 0.889 0.500 CB 1.250 19 residues pruned to eliminate duplicates Z: 31 16.993 1.880 0.554 0.440 0.900 0.467 CB 1.255 31 residues pruned to eliminate duplicates Z: 65 26.640 1.948 0.501 0.494 0.922 0.594 CB 1.243 65 residues pruned to eliminate duplicates Z: 77 28.727 1.957 0.509 0.495 0.882 0.632 CB 1.272 77 residues pruned to eliminate duplicates Z: 46 29.858 1.978 0.732 0.526 0.933 0.600 CB 1.357 46 residues pruned to eliminate duplicates Z: 50 25.687 1.929 0.748 0.442 0.898 0.592 CB 1.286 50 residues pruned to eliminate duplicates Z: 45 28.344 1.984 0.573 0.526 0.932 0.727 CB 1.432 45 residues pruned to eliminate duplicates Z: 59 26.185 1.967 0.553 0.485 0.897 0.552 CB 1.275 59 residues pruned to eliminate duplicates Z: 53 28.561 1.977 0.741 0.475 0.885 0.481 CB 1.334 53 residues pruned to eliminate duplicates Z: 45 28.602 2.028 0.577 0.501 0.955 0.568 CB 1.411 45 residues pruned to eliminate duplicates Z: 54 27.463 1.976 0.627 0.518 0.887 0.547 CB 1.300 54 residues pruned to eliminate duplicates Z: 54 35.018 2.006 0.696 0.540 0.962 0.604 CB 1.413 54 residues pruned to eliminate duplicates Z: 52 28.293 2.018 0.670 0.536 0.941 0.588 CB 1.207 52 residues pruned to eliminate duplicates Z: 71 33.517 2.007 0.578 0.511 0.957 0.629 CB 1.308 71 residues pruned to eliminate duplicates Z: 31 29.051 2.042 0.706 0.532 0.967 0.633 CB 1.525 31 residues pruned to eliminate duplicates Z: 54 31.594 2.012 0.544 0.537 0.943 0.698 CB 1.428 54 residues pruned to eliminate duplicates Z: 36 23.716 1.933 0.569 0.466 0.914 0.543 CB 1.496 36 residues pruned to eliminate duplicates Z: 33 29.350 2.040 0.748 0.554 0.906 0.562 CB 1.522 33 residues pruned to eliminate duplicates Z: 53 30.159 2.017 0.616 0.522 0.904 0.615 CB 1.389 53 residues pruned to eliminate duplicates Z: 45 32.574 2.027 0.785 0.508 0.932 0.591 CB 1.444 45 residues pruned to eliminate duplicates Z: 22 25.428 1.963 0.902 0.654 0.905 0.762 CB 1.423 22 residues pruned to eliminate duplicates Z: 30 31.713 2.008 0.838 0.562 0.966 0.655 CB 1.556 30 residues pruned to eliminate duplicates Z: 30 32.159 2.060 0.775 0.599 1.000 0.724 CB 1.486 30 residues pruned to eliminate duplicates Z: 31 31.565 2.043 0.781 0.539 0.967 0.733 CB 1.577 31 residues pruned to eliminate duplicates Z: 43 32.602 2.055 0.793 0.572 0.929 0.690 CB 1.371 43 residues pruned to eliminate duplicates Z: 54 33.794 2.027 0.702 0.517 0.962 0.623 CB 1.374 54 residues pruned to eliminate duplicates Z: 56 31.591 2.004 0.669 0.536 0.909 0.600 CB 1.353 56 residues pruned to eliminate duplicates Z: 44 30.437 2.045 0.676 0.536 0.907 0.674 CB 1.441 44 residues pruned to eliminate duplicates Z: 40 31.542 1.973 0.832 0.510 0.949 0.641 CB 1.459 40 residues pruned to eliminate duplicates Z: 53 31.895 2.030 0.713 0.509 0.904 0.673 CB 1.395 53 residues pruned to eliminate duplicates Z: 30 26.900 2.029 0.689 0.559 0.966 0.690 CB 1.425 30 residues pruned to eliminate duplicates Z: 36 32.321 2.095 0.834 0.587 0.886 0.686 CB 1.476 36 residues pruned to eliminate duplicates Z: 30 34.302 2.051 0.841 0.584 1.000 0.655 CB 1.557 30 residues pruned to eliminate duplicates Z: 33 28.520 1.947 0.782 0.574 0.906 0.656 CB 1.492 33 residues pruned to eliminate duplicates Z: 31 31.920 2.045 0.770 0.561 0.933 0.600 CB 1.626 31 residues pruned to eliminate duplicates Z: 10 12.904 1.967 0.588 0.350 1.000 0.444 CA 1.620 10 residues pruned to eliminate duplicates Z: 55 26.260 1.939 0.532 0.497 0.907 0.611 CB 1.329 55 residues pruned to eliminate duplicates Z: 21 9.591 1.783 0.288 0.340 0.900 0.550 CB 1.235 21 residues pruned to eliminate duplicates Z: 16 9.466 1.794 0.505 0.379 0.933 0.667 CB 1.103 18 residues pruned to eliminate duplicates Z: 6 2.756 1.376 0.218 0.359 1.000 0.800 N 0.856 6 residues pruned to eliminate duplicates Z: 13 7.684 1.784 0.244 0.350 0.833 0.500 CB 1.411 13 residues pruned to eliminate duplicates Z: 20 11.237 1.871 0.359 0.436 0.842 0.474 CB 1.287 20 residues pruned to eliminate duplicates Z: 9 5.319 1.747 0.244 0.381 0.875 0.375 CB 1.123 9 residues pruned to eliminate duplicates Z: 18 5.678 1.771 0.188 0.272 0.706 0.353 CB 1.200 18 residues pruned to eliminate duplicates Z: 20 7.293 1.636 0.442 0.283 0.789 0.368 CB 1.147 20 residues pruned to eliminate duplicates Z: 16 8.536 1.726 0.209 0.454 0.800 0.467 CB 1.384 16 residues pruned to eliminate duplicates Z: 23 9.838 1.802 0.365 0.375 0.818 0.500 CB 1.191 23 residues pruned to eliminate duplicates Z: 12 11.413 1.960 0.608 0.494 0.818 0.727 CB 1.341 12 residues pruned to eliminate duplicates Z: 18 8.284 1.852 0.152 0.513 0.706 0.706 CB 1.317 18 residues pruned to eliminate duplicates Z: 8 13.761 2.088 0.535 0.678 1.000 1.000 CB 1.377 8 residues pruned to eliminate duplicates Z: 14 10.708 1.972 0.356 0.538 0.923 0.769 CB 1.160 14 residues pruned to eliminate duplicates Z: 14 13.661 1.971 0.575 0.472 0.923 0.692 CB 1.359 14 residues pruned to eliminate duplicates Z: 9 13.453 2.129 0.379 0.682 1.000 0.875 CB 1.371 9 residues pruned to eliminate duplicates Z: 21 10.390 1.970 0.405 0.284 0.850 0.550 CB 1.260 21 residues pruned to eliminate duplicates Z: 10 9.522 2.007 0.379 0.536 1.000 0.667 CB 1.106 10 residues pruned to eliminate duplicates Z: 40 20.176 2.017 0.468 0.393 0.872 0.538 CB 1.402 38 residues pruned to eliminate duplicates Z: 6 3.516 1.580 0.418 0.137 1.000 0.200 O 1.101 6 residues pruned to eliminate duplicates Z: 40 29.327 2.146 0.689 0.493 0.897 0.462 CB 1.454 40 residues pruned to eliminate duplicates Z: 34 26.756 2.133 0.535 0.482 0.879 0.576 CB 1.648 34 residues pruned to eliminate duplicates Z: 39 26.398 2.031 0.659 0.467 0.868 0.632 CB 1.514 35 residues pruned to eliminate duplicates Z: 12 16.942 2.042 0.639 0.704 0.909 0.636 CA 1.395 12 residues pruned to eliminate duplicates Z: 12 19.593 2.279 0.814 0.639 0.727 0.636 CA 1.724 12 residues pruned to eliminate duplicates Z: 14 20.720 2.264 0.745 0.565 0.923 0.538 CB 1.479 14 residues pruned to eliminate duplicates Z: 28 32.486 2.250 0.744 0.536 0.963 0.630 CB 1.597 28 residues pruned to eliminate duplicates Z: 27 31.089 2.229 0.647 0.560 0.962 0.654 CB 1.629 27 residues pruned to eliminate duplicates Z: 27 34.360 2.276 0.771 0.520 0.962 0.615 CB 1.704 27 residues pruned to eliminate duplicates Z: 29 23.680 2.110 0.405 0.512 0.929 0.714 CB 1.606 29 residues pruned to eliminate duplicates Z: 30 29.441 2.178 0.629 0.541 0.897 0.655 CB 1.650 30 residues pruned to eliminate duplicates Z: 29 31.610 2.204 0.830 0.548 0.893 0.607 CB 1.582 29 residues pruned to eliminate duplicates Z: 29 30.130 2.239 0.770 0.529 0.929 0.607 CB 1.504 29 residues pruned to eliminate duplicates Z: 17 18.490 2.157 0.579 0.456 0.938 0.750 CB 1.515 17 residues pruned to eliminate duplicates Z: 27 23.426 2.097 0.702 0.436 0.846 0.462 CB 1.625 27 residues pruned to eliminate duplicates Z: 29 28.306 2.183 0.765 0.510 0.893 0.393 CB 1.540 29 residues pruned to eliminate duplicates Z: 19 17.690 2.040 0.794 0.457 0.889 0.444 CB 1.339 19 residues pruned to eliminate duplicates Z: 29 30.749 2.213 0.796 0.551 0.964 0.714 CB 1.443 29 residues pruned to eliminate duplicates Z: 32 24.531 2.118 0.754 0.523 0.839 0.419 CB 1.383 32 residues pruned to eliminate duplicates Z: 30 27.374 2.175 0.801 0.536 0.828 0.586 CB 1.514 30 residues pruned to eliminate duplicates Z: 17 21.630 2.093 0.618 0.568 1.000 0.688 CB 1.496 17 residues pruned to eliminate duplicates Z: 31 32.198 2.169 0.899 0.510 0.933 0.400 CB 1.514 31 residues pruned to eliminate duplicates Z: 27 25.544 2.156 0.734 0.479 0.846 0.423 CB 1.619 27 residues pruned to eliminate duplicates Z: 19 23.729 2.119 0.737 0.487 0.944 0.667 CB 1.630 19 residues pruned to eliminate duplicates Z: 28 27.649 2.185 0.770 0.510 0.852 0.444 CB 1.599 28 residues pruned to eliminate duplicates Z: 28 36.985 2.243 0.927 0.584 0.963 0.667 CB 1.577 28 residues pruned to eliminate duplicates Z: 28 22.365 2.052 0.853 0.364 0.852 0.407 CB 1.539 28 residues pruned to eliminate duplicates Z: 10 10.922 1.966 0.200 0.681 0.778 0.778 O 1.679 10 residues pruned to eliminate duplicates Z: 11 7.341 1.987 0.162 0.611 0.700 0.600 CB 1.293 11 residues pruned to eliminate duplicates Z: 11 8.807 1.927 0.434 0.594 0.800 0.500 CB 1.151 11 residues pruned to eliminate duplicates Z: 10 13.419 1.995 0.360 0.666 0.889 0.778 CB 1.591 10 residues pruned to eliminate duplicates Z: 11 11.252 1.925 0.452 0.679 0.800 0.700 CB 1.349 11 residues pruned to eliminate duplicates Z: 11 11.186 2.022 0.471 0.621 0.800 0.400 CB 1.326 11 residues pruned to eliminate duplicates Z: 32 30.936 2.099 0.766 0.465 0.935 0.484 CB 1.660 32 residues pruned to eliminate duplicates Z: 7 4.442 1.487 0.306 0.528 0.833 0.333 CB 1.089 Z: 6 6.784 1.464 0.557 0.630 1.000 0.600 O 1.177 7 residues pruned to eliminate duplicates 1188 residues left after pruning, divided into chains as follows: A: 6 B: 7 C: 7 D: 9 E: 28 F: 7 G: 22 H: 7 I: 104 J: 24 K: 13 L: 16 M: 89 N: 17 O: 159 P: 60 Q: 8 R: 45 S: 120 T: 30 U: 122 V: 140 W: 31 X: 14 Y: 33 Z: 70 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 35.18 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.494, Connect. = 0.738 for dens.mod. cycle 1 = 0.300, Contrast = 0.562, Connect. = 0.756 for dens.mod. cycle 2 = 0.300, Contrast = 0.663, Connect. = 0.784 for dens.mod. cycle 3 = 0.300, Contrast = 0.668, Connect. = 0.783 for dens.mod. cycle 4 = 0.300, Contrast = 0.674, Connect. = 0.784 for dens.mod. cycle 5 = 0.300, Contrast = 0.676, Connect. = 0.785 for dens.mod. cycle 6 = 0.300, Contrast = 0.680, Connect. = 0.786 for dens.mod. cycle 7 = 0.300, Contrast = 0.681, Connect. = 0.786 for dens.mod. cycle 8 = 0.300, Contrast = 0.682, Connect. = 0.787 for dens.mod. cycle 9 = 0.300, Contrast = 0.683, Connect. = 0.787 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 7268 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1709 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 39.925 2.229 1.188 0.890 1.000 0.769 CA 1.634 B: 13 31.958 2.240 0.831 0.924 1.000 0.917 CA 1.579 C: 32 45.480 2.173 0.639 0.935 1.000 0.935 CA 1.599 D: 12 29.248 2.363 0.773 0.868 0.909 0.909 CA 1.693 12 residues pruned to eliminate duplicates E: 19 38.370 2.128 0.913 0.900 1.000 0.722 CA 1.587 F: 23 44.715 2.245 0.909 0.905 0.955 0.818 CA 1.660 G: 12 22.982 2.101 0.531 0.835 1.000 1.000 CB 1.614 H: 14 37.179 2.215 1.053 0.865 1.000 0.769 CB 1.662 14 residues pruned to eliminate duplicates I: 30 43.376 2.152 0.782 0.925 0.966 0.828 CA 1.526 23 residues pruned to eliminate duplicates J: 23 44.206 2.174 0.984 0.934 1.000 0.864 CB 1.524 18 residues pruned to eliminate duplicates K: 13 33.568 2.197 0.979 0.904 0.917 0.833 CA 1.731 14 residues pruned to eliminate duplicates L: 9 16.726 1.990 0.468 0.835 1.000 0.875 CB 1.516 M: 7 10.348 1.980 0.430 0.778 0.833 0.833 CA 1.401 N: 14 25.452 2.140 0.557 0.855 1.000 0.692 CA 1.563 13 residues pruned to eliminate duplicates O: 12 27.469 2.174 0.684 0.864 1.000 0.909 CA 1.658 12 residues pruned to eliminate duplicates P: 12 23.880 2.243 0.375 0.895 1.000 0.818 CB 1.674 Q: 13 35.286 2.265 1.073 0.900 0.917 0.667 CA 1.689 13 residues pruned to eliminate duplicates R: 12 32.744 2.254 0.954 0.899 1.000 0.818 CA 1.603 12 residues pruned to eliminate duplicates S: 12 41.754 2.411 1.070 0.866 1.000 0.545 CB 1.847 13 residues pruned to eliminate duplicates T: 14 35.005 2.151 1.330 0.905 1.000 0.462 CB 1.379 14 residues pruned to eliminate duplicates U: 91 62.784 2.234 0.775 0.597 0.933 0.644 CB 1.630 36 residues pruned to eliminate duplicates V: 13 23.587 2.131 0.813 0.884 1.000 0.833 CA 1.273 13 residues pruned to eliminate duplicates W: 12 25.457 2.213 0.493 0.879 1.000 0.818 CB 1.685 12 residues pruned to eliminate duplicates X: 12 31.542 2.263 0.803 0.832 1.000 0.818 CB 1.750 12 residues pruned to eliminate duplicates Y: 13 22.245 1.992 0.631 0.890 0.917 0.833 CA 1.552 Z: 27 37.586 2.009 0.561 0.913 1.000 0.808 CB 1.664 Z: 13 35.208 2.266 0.886 0.908 1.000 0.833 CA 1.689 13 residues pruned to eliminate duplicates Z: 15 18.053 1.997 0.622 0.806 0.857 0.500 CB 1.331 Z: 13 40.737 2.266 1.434 0.865 0.917 0.500 CB 1.704 13 residues pruned to eliminate duplicates Z: 14 33.165 2.181 0.862 0.888 1.000 0.769 CA 1.632 14 residues pruned to eliminate duplicates Z: 15 26.882 2.171 0.781 0.829 0.929 0.714 CB 1.506 15 residues pruned to eliminate duplicates Z: 30 49.021 2.155 0.830 0.930 1.000 0.931 CA 1.614 30 residues pruned to eliminate duplicates Z: 10 16.453 1.916 0.451 0.750 1.000 0.778 CB 1.578 Z: 10 29.761 2.516 0.571 0.907 1.000 1.000 CA 1.783 10 residues pruned to eliminate duplicates Z: 28 36.277 2.069 0.569 0.921 1.000 0.852 CB 1.513 28 residues pruned to eliminate duplicates Z: 12 21.284 2.046 0.413 0.849 1.000 0.636 CA 1.646 12 residues pruned to eliminate duplicates Z: 13 22.514 2.035 0.585 0.941 1.000 1.000 CB 1.398 Z: 9 8.527 1.622 0.541 0.646 0.875 0.750 CA 1.203 9 residues pruned to eliminate duplicates Z: 16 22.420 2.065 0.544 0.909 0.933 0.867 CB 1.381 Z: 10 18.043 1.931 0.657 0.749 1.000 0.667 CB 1.506 10 residues pruned to eliminate duplicates Z: 9 19.128 1.960 0.458 0.884 1.000 0.875 CA 1.710 9 residues pruned to eliminate duplicates Z: 29 17.034 1.891 0.548 0.403 0.857 0.464 CB 1.422 Z: 14 24.142 2.032 0.533 0.876 1.000 0.923 CA 1.562 13 residues pruned to eliminate duplicates Z: 9 19.394 2.101 0.426 0.898 1.000 0.875 CA 1.638 Z: 31 48.005 2.202 0.684 0.938 1.000 0.800 CB 1.643 32 residues pruned to eliminate duplicates Z: 18 20.378 1.867 0.348 0.852 0.941 0.824 CA 1.544 Z: 17 23.809 1.977 0.445 0.885 1.000 0.938 CA 1.504 Z: 16 25.669 2.059 0.413 0.932 1.000 0.867 CB 1.591 16 residues pruned to eliminate duplicates Z: 30 49.657 2.166 0.956 0.894 0.966 0.724 CA 1.617 31 residues pruned to eliminate duplicates Z: 30 41.439 2.264 0.380 0.947 1.000 0.862 CA 1.702 31 residues pruned to eliminate duplicates Z: 8 17.507 2.105 0.383 0.823 1.000 0.571 CA 1.717 8 residues pruned to eliminate duplicates Z: 15 23.652 2.054 0.545 0.836 0.857 0.786 CB 1.740 Z: 16 14.494 1.807 0.618 0.702 0.800 0.467 CB 1.331 16 residues pruned to eliminate duplicates Z: 21 32.616 2.036 0.740 0.859 0.950 0.750 CB 1.595 15 residues pruned to eliminate duplicates Z: 12 29.987 2.256 0.594 0.892 1.000 0.818 CB 1.806 12 residues pruned to eliminate duplicates Z: 15 27.344 2.176 0.522 0.924 1.000 0.857 CB 1.549 15 residues pruned to eliminate duplicates Z: 6 4.821 2.054 -0.120 0.752 0.800 0.600 CB 1.191 6 residues pruned to eliminate duplicates Z: 32 40.381 2.153 0.442 0.943 1.000 0.935 CA 1.619 32 residues pruned to eliminate duplicates Z: 12 30.370 2.287 0.556 0.863 1.000 0.818 CB 1.889 13 residues pruned to eliminate duplicates Z: 15 26.494 2.161 0.379 0.935 1.000 0.857 CA 1.655 15 residues pruned to eliminate duplicates Z: 29 33.249 1.994 0.632 0.938 0.964 0.857 CB 1.392 29 residues pruned to eliminate duplicates Z: 12 26.331 2.245 0.804 0.850 0.909 0.636 CA 1.597 Z: 31 21.192 2.084 0.549 0.506 0.800 0.600 CB 1.488 16 residues pruned to eliminate duplicates Z: 15 24.182 1.946 0.627 0.897 0.929 0.714 CA 1.574 14 residues pruned to eliminate duplicates Z: 22 27.477 1.918 0.754 0.812 1.000 0.714 CB 1.358 22 residues pruned to eliminate duplicates Z: 9 8.260 1.972 0.485 0.689 0.750 0.375 CB 1.119 Z: 25 36.858 2.044 0.769 0.907 0.917 0.792 CB 1.614 Z: 12 24.297 2.093 0.587 0.882 1.000 0.909 CB 1.596 12 residues pruned to eliminate duplicates Z: 26 35.174 1.992 0.535 0.902 0.960 0.840 CA 1.709 26 residues pruned to eliminate duplicates Z: 21 34.156 2.054 0.959 0.843 0.950 0.600 CB 1.488 20 residues pruned to eliminate duplicates Z: 12 14.268 1.950 0.472 0.759 0.909 0.636 CB 1.310 16 residues pruned to eliminate duplicates Z: 29 41.823 2.062 0.685 0.947 1.000 0.893 CA 1.572 29 residues pruned to eliminate duplicates Z: 31 42.804 2.225 0.524 0.920 1.000 0.867 CA 1.623 31 residues pruned to eliminate duplicates Z: 7 17.355 2.047 0.718 0.784 1.000 0.833 CB 1.569 7 residues pruned to eliminate duplicates Z: 14 22.137 1.940 0.759 0.847 0.923 0.769 CB 1.447 14 residues pruned to eliminate duplicates Z: 30 49.120 2.285 0.579 0.938 1.000 0.793 CA 1.758 30 residues pruned to eliminate duplicates Z: 12 19.785 2.089 0.440 0.909 1.000 1.000 CA 1.408 12 residues pruned to eliminate duplicates Z: 27 39.995 2.033 0.847 0.928 1.000 0.731 CB 1.463 27 residues pruned to eliminate duplicates Z: 27 17.464 1.993 0.727 0.494 0.846 0.577 CB 1.184 10 residues pruned to eliminate duplicates Z: 6 4.501 1.460 1.209 0.441 0.800 0.600 N 0.829 Z: 9 14.809 2.000 0.409 0.863 1.000 0.875 CA 1.363 9 residues pruned to eliminate duplicates Z: 28 43.674 2.090 0.911 0.929 0.963 0.778 CB 1.529 28 residues pruned to eliminate duplicates Z: 9 18.225 2.085 0.554 0.876 0.875 0.875 CB 1.651 Z: 15 21.497 2.084 0.681 0.786 0.857 0.786 CB 1.489 15 residues pruned to eliminate duplicates Z: 30 42.077 2.241 0.704 0.933 0.897 0.690 CB 1.593 30 residues pruned to eliminate duplicates Z: 13 27.819 2.117 0.744 0.902 0.917 0.833 CB 1.692 13 residues pruned to eliminate duplicates Z: 9 15.201 1.918 0.290 0.826 1.000 0.750 CB 1.639 9 residues pruned to eliminate duplicates Z: 45 29.848 2.256 0.637 0.404 0.864 0.545 CB 1.560 13 residues pruned to eliminate duplicates Z: 6 17.297 2.243 0.702 0.853 1.000 1.000 CB 1.498 6 residues pruned to eliminate duplicates Z: 14 24.274 2.031 0.443 0.908 1.000 0.923 CA 1.633 14 residues pruned to eliminate duplicates Z: 13 12.750 2.005 0.513 0.564 0.833 0.750 CB 1.367 13 residues pruned to eliminate duplicates Z: 13 14.833 2.127 0.907 0.495 0.750 0.500 CB 1.415 9 residues pruned to eliminate duplicates Z: 9 22.949 2.137 0.626 0.902 1.000 0.750 CB 1.665 13 residues pruned to eliminate duplicates Z: 6 13.037 2.216 0.436 0.869 1.000 1.000 CA 1.338 5 residues pruned to eliminate duplicates Z: 11 20.657 2.140 0.342 0.855 1.000 0.600 CB 1.679 11 residues pruned to eliminate duplicates Z: 16 26.886 2.038 0.667 0.909 1.000 0.867 CA 1.451 16 residues pruned to eliminate duplicates Z: 30 34.596 1.953 0.525 0.936 0.966 0.828 CA 1.556 29 residues pruned to eliminate duplicates Z: 6 22.502 2.336 1.242 0.792 1.000 0.800 CA 1.486 6 residues pruned to eliminate duplicates Z: 9 14.151 2.007 0.561 0.833 0.875 0.875 CB 1.370 9 residues pruned to eliminate duplicates Z: 16 24.013 2.089 0.473 0.923 1.000 0.800 CB 1.416 16 residues pruned to eliminate duplicates Z: 9 20.262 2.020 0.589 0.902 1.000 1.000 CA 1.592 Z: 29 54.017 2.228 1.014 0.941 0.964 0.857 CA 1.638 29 residues pruned to eliminate duplicates Z: 30 56.621 2.152 1.244 0.927 0.966 0.621 CB 1.580 30 residues pruned to eliminate duplicates Z: 12 31.751 2.208 0.854 0.920 1.000 0.727 CB 1.647 12 residues pruned to eliminate duplicates Z: 6 4.180 1.848 0.944 0.647 0.600 0.400 N 0.756 Z: 31 48.606 2.098 1.065 0.916 0.967 0.600 CB 1.497 31 residues pruned to eliminate duplicates Z: 29 46.045 2.186 0.943 0.908 0.964 0.786 CA 1.508 29 residues pruned to eliminate duplicates Z: 31 54.761 2.258 0.920 0.939 1.000 0.633 CB 1.603 30 residues pruned to eliminate duplicates Z: 14 24.088 1.979 0.736 0.905 0.923 0.846 CB 1.500 14 residues pruned to eliminate duplicates Z: 27 33.791 1.975 0.495 0.913 1.000 0.769 CA 1.588 28 residues pruned to eliminate duplicates Z: 11 29.410 2.395 0.787 0.843 1.000 0.600 CA 1.617 11 residues pruned to eliminate duplicates Z: 15 11.487 1.757 0.349 0.749 0.929 0.714 CB 1.116 15 residues pruned to eliminate duplicates Z: 9 13.330 1.989 0.248 0.711 1.000 0.625 CA 1.568 8 residues pruned to eliminate duplicates Z: 16 19.419 1.885 0.470 0.835 0.933 0.867 CB 1.453 16 residues pruned to eliminate duplicates Z: 21 21.908 2.005 0.481 0.865 0.900 0.750 CB 1.343 21 residues pruned to eliminate duplicates Z: 30 53.960 2.291 0.774 0.957 1.000 0.862 CB 1.692 30 residues pruned to eliminate duplicates Z: 20 27.781 2.019 0.774 0.821 0.947 0.684 CB 1.421 20 residues pruned to eliminate duplicates Z: 30 52.080 2.155 1.229 0.915 0.931 0.448 CB 1.529 31 residues pruned to eliminate duplicates Z: 12 19.763 2.100 0.649 0.825 0.909 0.727 CA 1.429 12 residues pruned to eliminate duplicates Z: 17 29.197 1.990 0.696 0.933 1.000 0.750 CB 1.509 16 residues pruned to eliminate duplicates Z: 15 19.267 1.849 0.284 0.892 1.000 0.857 CB 1.558 Z: 13 27.868 2.146 0.556 0.912 1.000 0.917 CB 1.705 13 residues pruned to eliminate duplicates Z: 13 28.445 2.179 0.833 0.835 0.917 0.583 CB 1.681 13 residues pruned to eliminate duplicates Z: 13 27.997 2.043 0.766 0.910 1.000 0.917 CB 1.588 13 residues pruned to eliminate duplicates Z: 8 15.583 2.021 0.385 0.890 1.000 0.857 O 1.513 8 residues pruned to eliminate duplicates Z: 12 22.694 2.004 0.581 0.891 1.000 0.818 CA 1.553 12 residues pruned to eliminate duplicates Z: 16 24.946 2.075 0.485 0.859 0.933 0.867 CA 1.647 Z: 29 18.664 2.058 0.570 0.431 0.857 0.321 CB 1.368 24 residues pruned to eliminate duplicates Z: 8 6.522 2.007 0.165 0.554 1.000 0.714 CB 1.001 Z: 13 23.959 2.098 0.677 0.832 1.000 0.833 CA 1.476 13 residues pruned to eliminate duplicates Z: 18 20.652 1.935 0.399 0.822 0.941 0.765 CB 1.487 17 residues pruned to eliminate duplicates Z: 23 23.745 1.894 0.506 0.811 0.955 0.864 CB 1.418 23 residues pruned to eliminate duplicates Z: 18 43.296 2.119 1.446 0.880 0.941 0.588 CB 1.560 18 residues pruned to eliminate duplicates Z: 14 28.678 2.012 0.752 0.837 1.000 0.615 CA 1.688 13 residues pruned to eliminate duplicates Z: 27 17.800 2.146 0.608 0.277 0.885 0.462 CB 1.472 27 residues pruned to eliminate duplicates Z: 32 42.045 2.153 0.509 0.936 1.000 0.968 CB 1.620 32 residues pruned to eliminate duplicates Z: 26 33.590 1.960 0.745 0.833 0.960 0.600 CB 1.535 26 residues pruned to eliminate duplicates Z: 15 30.529 2.141 0.810 0.929 1.000 0.786 CB 1.473 15 residues pruned to eliminate duplicates Z: 29 36.283 1.939 0.624 0.937 0.964 0.929 CA 1.571 28 residues pruned to eliminate duplicates Z: 28 33.257 1.985 0.434 0.907 0.963 0.778 CA 1.660 28 residues pruned to eliminate duplicates Z: 30 53.552 2.299 0.796 0.953 1.000 0.655 CB 1.658 31 residues pruned to eliminate duplicates Z: 6 13.587 2.086 0.433 0.694 1.000 1.000 CA 1.702 Z: 18 39.864 2.338 1.379 0.687 0.882 0.588 CB 1.659 18 residues pruned to eliminate duplicates Z: 12 26.701 2.270 0.888 0.883 0.818 0.455 CA 1.660 13 residues pruned to eliminate duplicates Z: 7 14.037 1.919 0.580 0.705 1.000 0.833 CA 1.569 Z: 31 41.283 2.171 0.798 0.930 0.900 0.700 CB 1.500 31 residues pruned to eliminate duplicates Z: 14 15.085 1.821 0.254 0.854 1.000 0.769 CA 1.354 Z: 31 46.158 2.121 0.957 0.898 0.900 0.533 CA 1.615 31 residues pruned to eliminate duplicates Z: 26 43.462 2.225 0.784 0.898 1.000 0.840 CA 1.566 26 residues pruned to eliminate duplicates Z: 16 27.069 2.093 0.627 0.854 0.933 0.867 CA 1.625 17 residues pruned to eliminate duplicates Z: 38 28.250 2.162 0.694 0.383 0.946 0.514 CB 1.518 36 residues pruned to eliminate duplicates Z: 31 18.145 1.863 0.665 0.432 0.833 0.567 CB 1.375 29 residues pruned to eliminate duplicates Z: 16 26.868 2.070 0.824 0.860 0.933 0.800 CB 1.448 16 residues pruned to eliminate duplicates Z: 15 24.335 2.132 0.801 0.816 0.786 0.643 CA 1.638 15 residues pruned to eliminate duplicates Z: 13 15.224 1.898 0.404 0.865 0.833 0.750 CB 1.450 12 residues pruned to eliminate duplicates Z: 29 18.343 2.145 0.721 0.324 0.893 0.571 CB 1.276 13 residues pruned to eliminate duplicates Z: 12 31.041 2.281 1.012 0.916 0.909 0.636 CB 1.585 12 residues pruned to eliminate duplicates Z: 20 32.318 2.107 0.719 0.904 0.947 0.737 CB 1.539 20 residues pruned to eliminate duplicates Z: 12 17.224 1.835 0.534 0.869 0.909 0.545 N 1.482 11 residues pruned to eliminate duplicates Z: 11 16.013 1.835 0.540 0.872 0.900 0.600 CA 1.451 11 residues pruned to eliminate duplicates Z: 14 12.933 1.867 0.278 0.797 0.923 0.615 CB 1.256 14 residues pruned to eliminate duplicates Z: 17 25.381 1.936 0.543 0.918 0.938 0.750 CB 1.598 18 residues pruned to eliminate duplicates Z: 13 30.971 2.140 0.896 0.874 1.000 0.750 CA 1.604 13 residues pruned to eliminate duplicates Z: 20 29.522 2.011 0.914 0.866 0.947 0.789 CB 1.360 20 residues pruned to eliminate duplicates Z: 61 35.407 2.199 0.737 0.452 0.900 0.517 CB 1.397 55 residues pruned to eliminate duplicates Z: 27 33.898 1.977 0.753 0.876 0.846 0.692 CB 1.647 27 residues pruned to eliminate duplicates Z: 32 46.272 2.153 0.717 0.926 1.000 0.903 CA 1.577 31 residues pruned to eliminate duplicates Z: 10 12.663 1.614 0.546 0.757 1.000 0.556 CB 1.346 10 residues pruned to eliminate duplicates Z: 55 31.290 2.011 0.636 0.528 0.926 0.630 CB 1.360 Z: 17 21.570 1.954 0.389 0.886 1.000 0.875 CA 1.433 17 residues pruned to eliminate duplicates Z: 25 30.194 2.011 0.436 0.881 0.958 0.875 CA 1.613 25 residues pruned to eliminate duplicates Z: 16 31.568 2.081 0.713 0.927 1.000 0.800 CB 1.603 16 residues pruned to eliminate duplicates Z: 9 21.397 2.064 0.492 0.885 1.000 0.750 CB 1.775 Z: 17 24.382 1.978 0.533 0.863 1.000 0.812 CA 1.475 17 residues pruned to eliminate duplicates Z: 15 18.703 2.013 0.616 0.773 0.929 0.571 CB 1.300 15 residues pruned to eliminate duplicates Z: 18 20.896 1.919 0.309 0.905 1.000 0.941 CA 1.437 17 residues pruned to eliminate duplicates Z: 23 27.885 1.986 0.451 0.908 0.955 0.818 CA 1.535 23 residues pruned to eliminate duplicates Z: 17 28.011 2.083 0.698 0.844 1.000 0.812 CA 1.473 17 residues pruned to eliminate duplicates Z: 28 42.839 2.024 0.775 0.932 0.963 0.778 CA 1.664 28 residues pruned to eliminate duplicates Z: 31 47.421 2.248 0.796 0.948 0.967 0.600 CB 1.533 31 residues pruned to eliminate duplicates Z: 11 18.051 2.146 0.150 0.893 1.000 0.800 CB 1.660 11 residues pruned to eliminate duplicates Z: 92 77.361 2.302 0.991 0.620 0.956 0.681 CB 1.652 94 residues pruned to eliminate duplicates Z: 23 43.458 2.084 0.938 0.952 1.000 0.500 CB 1.581 25 residues pruned to eliminate duplicates Z: 29 39.677 2.037 0.938 0.911 0.929 0.464 CB 1.449 28 residues pruned to eliminate duplicates Z: 14 24.121 1.909 0.581 0.882 1.000 0.615 CA 1.604 14 residues pruned to eliminate duplicates Z: 30 51.779 2.276 0.743 0.943 1.000 0.897 CB 1.679 31 residues pruned to eliminate duplicates Z: 8 12.588 1.945 0.445 0.849 0.857 0.714 CA 1.464 8 residues pruned to eliminate duplicates Z: 14 13.024 1.956 0.241 0.821 0.846 0.769 CB 1.332 14 residues pruned to eliminate duplicates Z: 7 12.243 1.903 0.576 0.701 1.000 0.667 CB 1.387 7 residues pruned to eliminate duplicates Z: 13 35.864 2.188 1.497 0.920 0.833 0.500 CB 1.601 13 residues pruned to eliminate duplicates Z: 17 26.875 2.079 0.670 0.822 0.938 0.688 CB 1.561 16 residues pruned to eliminate duplicates Z: 8 16.204 2.048 0.316 0.910 1.000 1.000 CB 1.611 8 residues pruned to eliminate duplicates Z: 16 23.329 1.981 0.535 0.891 0.933 0.933 CA 1.526 15 residues pruned to eliminate duplicates Z: 13 35.075 2.282 1.322 0.862 0.917 0.583 CA 1.530 13 residues pruned to eliminate duplicates Z: 31 53.196 2.196 0.908 0.916 1.000 0.600 CB 1.636 31 residues pruned to eliminate duplicates Z: 7 25.111 2.161 1.024 0.890 1.000 1.000 CB 1.687 7 residues pruned to eliminate duplicates Z: 22 24.964 1.925 0.473 0.852 0.952 0.857 CB 1.492 22 residues pruned to eliminate duplicates Z: 31 43.516 2.198 0.569 0.948 0.967 0.867 CA 1.645 31 residues pruned to eliminate duplicates Z: 16 22.881 1.911 0.571 0.885 0.933 0.867 CA 1.523 Z: 30 43.992 2.052 0.840 0.917 1.000 0.517 CB 1.527 30 residues pruned to eliminate duplicates Z: 8 15.826 2.186 0.177 0.911 1.000 1.000 CB 1.648 8 residues pruned to eliminate duplicates Z: 14 24.212 1.927 0.579 0.879 1.000 0.692 CB 1.601 14 residues pruned to eliminate duplicates Z: 11 28.761 2.232 0.685 0.875 1.000 0.800 CB 1.758 11 residues pruned to eliminate duplicates Z: 29 30.890 1.916 0.443 0.898 0.964 0.750 CA 1.566 29 residues pruned to eliminate duplicates Z: 8 7.884 1.649 0.425 0.793 0.714 0.143 O 1.373 8 residues pruned to eliminate duplicates Z: 50 29.838 2.201 0.473 0.444 0.878 0.551 CB 1.587 50 residues pruned to eliminate duplicates Z: 14 25.284 1.947 0.745 0.863 0.923 0.769 CB 1.641 14 residues pruned to eliminate duplicates Z: 11 25.879 2.013 0.996 0.923 1.000 0.900 CB 1.431 11 residues pruned to eliminate duplicates Z: 22 33.769 2.100 0.620 0.906 0.952 0.905 CB 1.618 22 residues pruned to eliminate duplicates Z: 13 35.391 2.171 1.207 0.917 1.000 0.750 CB 1.505 13 residues pruned to eliminate duplicates Z: 12 29.623 2.175 1.028 0.924 1.000 0.636 CA 1.422 12 residues pruned to eliminate duplicates Z: 31 50.501 2.227 0.728 0.943 1.000 0.800 CA 1.660 31 residues pruned to eliminate duplicates Z: 28 56.610 2.250 1.191 0.914 0.926 0.481 CB 1.688 28 residues pruned to eliminate duplicates Z: 12 23.890 2.037 0.685 0.901 1.000 0.818 CB 1.497 12 residues pruned to eliminate duplicates Z: 25 26.403 2.033 0.351 0.850 1.000 0.875 CA 1.454 23 residues pruned to eliminate duplicates Z: 10 20.025 2.304 0.318 0.817 1.000 0.778 CA 1.669 10 residues pruned to eliminate duplicates Z: 16 23.833 2.052 0.472 0.935 1.000 0.933 CB 1.420 16 residues pruned to eliminate duplicates Z: 13 33.198 2.175 0.861 0.913 1.000 0.750 CA 1.675 13 residues pruned to eliminate duplicates Z: 30 37.041 1.968 0.790 0.910 0.966 0.897 CA 1.435 30 residues pruned to eliminate duplicates Z: 15 27.356 2.130 0.671 0.854 0.929 0.714 CA 1.635 15 residues pruned to eliminate duplicates Z: 23 43.394 2.148 1.015 0.897 1.000 0.909 CA 1.530 23 residues pruned to eliminate duplicates Z: 12 17.139 1.890 0.247 0.870 1.000 1.000 CB 1.601 12 residues pruned to eliminate duplicates Z: 18 28.124 1.926 0.894 0.834 1.000 0.765 CA 1.402 18 residues pruned to eliminate duplicates Z: 12 20.266 2.115 0.295 0.911 1.000 1.000 CB 1.581 12 residues pruned to eliminate duplicates Z: 6 13.121 2.117 0.888 0.856 1.000 0.600 CB 1.083 Z: 23 27.641 2.063 0.371 0.916 0.955 0.909 CA 1.542 23 residues pruned to eliminate duplicates Z: 17 24.294 1.992 0.641 0.856 0.938 0.875 CA 1.461 17 residues pruned to eliminate duplicates Z: 9 20.952 2.092 0.885 0.888 0.875 0.875 CB 1.547 9 residues pruned to eliminate duplicates Z: 13 31.425 2.058 0.946 0.889 1.000 0.833 CB 1.631 14 residues pruned to eliminate duplicates Z: 8 22.258 2.254 0.895 0.867 1.000 0.429 CB 1.441 8 residues pruned to eliminate duplicates Z: 12 26.836 2.157 0.924 0.918 1.000 1.000 CB 1.375 12 residues pruned to eliminate duplicates Z: 12 6.692 1.834 0.256 0.360 0.818 0.273 CB 1.244 12 residues pruned to eliminate duplicates Z: 26 30.376 2.007 0.477 0.866 0.960 0.760 CB 1.562 26 residues pruned to eliminate duplicates Z: 22 21.975 2.165 0.864 0.413 0.952 0.476 CB 1.366 9 residues pruned to eliminate duplicates Z: 14 20.526 2.165 0.428 0.894 0.923 0.692 CB 1.432 14 residues pruned to eliminate duplicates Z: 14 26.838 2.016 0.577 0.896 1.000 0.692 CA 1.677 14 residues pruned to eliminate duplicates Z: 14 30.772 2.236 0.643 0.939 1.000 0.923 CB 1.614 14 residues pruned to eliminate duplicates Z: 13 19.042 1.941 0.715 0.879 0.833 0.750 CB 1.436 14 residues pruned to eliminate duplicates Z: 16 9.479 1.805 0.313 0.462 0.933 0.600 CB 1.150 Z: 22 27.477 1.868 0.767 0.922 0.952 0.571 CB 1.341 Z: 9 13.990 1.981 0.421 0.789 1.000 0.500 CB 1.363 9 residues pruned to eliminate duplicates Z: 17 24.429 1.976 0.613 0.875 0.938 0.875 CA 1.486 17 residues pruned to eliminate duplicates Z: 13 30.057 2.129 1.244 0.896 0.833 0.250 CA 1.561 13 residues pruned to eliminate duplicates Z: 8 13.833 2.133 -0.004 0.914 1.000 1.000 CB 1.739 8 residues pruned to eliminate duplicates Z: 31 51.912 2.127 1.182 0.912 0.933 0.567 CB 1.549 31 residues pruned to eliminate duplicates Z: 28 25.740 2.053 0.657 0.662 0.926 0.519 CB 1.353 22 residues pruned to eliminate duplicates Z: 12 20.738 2.154 0.583 0.780 0.909 0.636 CA 1.577 12 residues pruned to eliminate duplicates Z: 7 17.973 2.181 0.463 0.887 1.000 0.833 CB 1.658 7 residues pruned to eliminate duplicates Z: 9 20.551 2.039 0.605 0.881 1.000 0.875 CB 1.608 9 residues pruned to eliminate duplicates Z: 106 59.163 2.197 0.648 0.607 0.933 0.629 CB 1.543 106 residues pruned to eliminate duplicates Z: 14 25.584 2.051 0.575 0.846 0.923 0.769 CA 1.768 14 residues pruned to eliminate duplicates Z: 21 32.954 2.070 0.707 0.905 1.000 0.650 CB 1.484 21 residues pruned to eliminate duplicates Z: 12 12.843 1.753 0.242 0.884 1.000 0.727 CB 1.285 12 residues pruned to eliminate duplicates Z: 9 21.455 2.090 0.801 0.890 0.875 0.500 CB 1.658 17 residues pruned to eliminate duplicates Z: 13 33.085 2.136 1.315 0.870 0.917 0.750 CB 1.537 13 residues pruned to eliminate duplicates Z: 24 38.079 2.122 1.083 0.867 0.870 0.565 CB 1.512 24 residues pruned to eliminate duplicates Z: 52 29.632 2.033 0.608 0.564 0.902 0.667 CB 1.323 52 residues pruned to eliminate duplicates Z: 8 13.888 2.158 0.345 0.876 0.857 0.714 CA 1.534 8 residues pruned to eliminate duplicates Z: 53 31.403 2.014 0.599 0.542 0.923 0.577 CB 1.406 55 residues pruned to eliminate duplicates Z: 12 15.360 1.889 0.499 0.870 0.909 0.818 CA 1.313 Z: 27 26.838 2.074 0.598 0.648 0.923 0.654 CB 1.500 23 residues pruned to eliminate duplicates Z: 32 48.117 2.150 1.008 0.926 0.935 0.613 CB 1.500 32 residues pruned to eliminate duplicates Z: 9 11.502 2.002 0.365 0.879 0.750 0.750 CA 1.439 9 residues pruned to eliminate duplicates Z: 26 40.138 1.990 0.794 0.923 0.960 0.800 CB 1.647 26 residues pruned to eliminate duplicates Z: 22 35.649 1.998 0.850 0.891 1.000 0.524 CA 1.513 22 residues pruned to eliminate duplicates Z: 16 28.947 2.094 0.603 0.898 1.000 0.667 CB 1.594 16 residues pruned to eliminate duplicates Z: 16 19.535 1.883 0.568 0.834 0.933 0.733 CB 1.372 16 residues pruned to eliminate duplicates Z: 30 49.536 2.143 1.023 0.946 1.000 0.931 CA 1.467 30 residues pruned to eliminate duplicates Z: 9 8.420 1.978 0.286 0.561 1.000 0.750 CB 1.103 8 residues pruned to eliminate duplicates Z: 22 33.587 2.046 0.647 0.893 1.000 0.857 CB 1.562 22 residues pruned to eliminate duplicates Z: 14 30.598 2.150 1.345 0.874 0.923 0.615 CB 1.327 14 residues pruned to eliminate duplicates Z: 16 19.383 2.060 0.359 0.846 0.867 0.733 CA 1.531 16 residues pruned to eliminate duplicates Z: 11 20.906 2.151 0.299 0.836 1.000 0.800 CB 1.771 11 residues pruned to eliminate duplicates Z: 15 8.169 1.882 0.331 0.416 0.857 0.500 CB 1.110 16 residues pruned to eliminate duplicates Z: 9 18.846 1.816 0.686 0.841 1.000 0.625 CA 1.623 9 residues pruned to eliminate duplicates Z: 28 22.448 1.982 0.588 0.698 0.852 0.741 CB 1.344 18 residues pruned to eliminate duplicates Z: 7 15.715 2.102 0.429 0.828 1.000 0.667 CA 1.608 7 residues pruned to eliminate duplicates Z: 24 52.462 2.217 1.222 0.909 0.913 0.522 CB 1.726 24 residues pruned to eliminate duplicates Z: 13 26.689 2.069 0.742 0.874 0.917 0.667 N 1.697 13 residues pruned to eliminate duplicates Z: 30 31.922 1.896 0.722 0.922 0.931 0.448 CB 1.372 30 residues pruned to eliminate duplicates Z: 15 25.364 2.100 0.617 0.854 0.929 0.857 CA 1.588 15 residues pruned to eliminate duplicates Z: 29 25.766 2.069 0.870 0.518 0.893 0.500 CB 1.385 23 residues pruned to eliminate duplicates Z: 11 18.796 1.862 0.740 0.891 1.000 0.600 CB 1.319 Z: 10 12.291 1.861 0.458 0.811 0.889 0.667 CA 1.296 15 residues pruned to eliminate duplicates Z: 6 12.970 1.886 0.475 0.812 1.000 0.800 CA 1.590 5 residues pruned to eliminate duplicates Z: 9 16.714 1.845 0.693 0.731 1.000 0.500 CB 1.537 10 residues pruned to eliminate duplicates Z: 17 22.114 1.831 0.540 0.887 1.000 0.688 CA 1.413 17 residues pruned to eliminate duplicates Z: 15 10.759 1.783 0.461 0.687 0.786 0.429 CB 1.184 15 residues pruned to eliminate duplicates Z: 25 39.556 2.061 0.888 0.924 0.917 0.625 CB 1.589 25 residues pruned to eliminate duplicates Z: 69 65.461 2.298 0.892 0.628 0.971 0.662 CA 1.668 69 residues pruned to eliminate duplicates Z: 17 29.093 2.043 0.665 0.884 1.000 0.938 CA 1.544 18 residues pruned to eliminate duplicates Z: 33 13.789 1.952 0.469 0.465 0.844 0.719 CB 1.044 23 residues pruned to eliminate duplicates Z: 8 6.938 1.741 0.497 0.804 1.000 0.571 CB 0.772 Z: 16 20.971 1.884 0.469 0.873 0.933 0.667 CB 1.527 16 residues pruned to eliminate duplicates Z: 7 11.110 1.885 0.733 0.802 0.833 0.833 N 1.279 7 residues pruned to eliminate duplicates Z: 13 13.105 1.933 0.551 0.453 0.917 0.667 CB 1.444 13 residues pruned to eliminate duplicates Z: 32 52.529 2.168 0.994 0.946 1.000 0.516 CB 1.509 32 residues pruned to eliminate duplicates Z: 16 21.561 1.893 0.503 0.849 1.000 0.867 CA 1.449 16 residues pruned to eliminate duplicates Z: 6 3.360 1.849 0.249 0.377 0.600 0.400 CB 1.238 Z: 16 25.606 2.068 0.639 0.843 1.000 0.800 CA 1.453 16 residues pruned to eliminate duplicates Z: 19 15.327 2.040 0.835 0.495 0.778 0.333 CB 1.247 19 residues pruned to eliminate duplicates Z: 8 15.199 1.868 0.634 0.867 0.857 0.714 CB 1.606 8 residues pruned to eliminate duplicates Z: 16 19.348 2.022 0.191 0.889 1.000 0.933 CA 1.493 16 residues pruned to eliminate duplicates Z: 30 36.786 1.930 0.736 0.885 0.931 0.586 CB 1.582 30 residues pruned to eliminate duplicates Z: 40 27.290 2.091 0.605 0.529 0.897 0.590 CB 1.411 41 residues pruned to eliminate duplicates Z: 15 25.286 1.905 0.645 0.863 1.000 0.786 CA 1.583 15 residues pruned to eliminate duplicates Z: 10 7.906 1.822 0.834 0.367 0.889 0.333 CB 1.024 Z: 8 4.955 1.595 0.364 0.413 0.857 0.571 CB 1.100 Z: 39 36.036 2.070 0.650 0.715 0.947 0.684 CB 1.487 27 residues pruned to eliminate duplicates Z: 28 31.604 1.895 0.526 0.925 1.000 0.963 CA 1.477 28 residues pruned to eliminate duplicates Z: 15 26.803 2.122 0.666 0.882 0.929 0.714 CA 1.579 15 residues pruned to eliminate duplicates Z: 7 8.114 1.757 0.495 0.801 0.833 0.833 O 1.163 7 residues pruned to eliminate duplicates Z: 55 27.652 1.989 0.556 0.527 0.889 0.574 CB 1.332 55 residues pruned to eliminate duplicates Z: 17 29.122 2.004 0.763 0.876 1.000 0.688 CA 1.498 17 residues pruned to eliminate duplicates Z: 17 14.649 2.062 0.622 0.438 0.875 0.250 CB 1.335 17 residues pruned to eliminate duplicates Z: 30 13.446 1.949 0.446 0.446 0.931 0.586 CB 1.006 30 residues pruned to eliminate duplicates Z: 52 30.353 2.024 0.632 0.584 0.902 0.627 CB 1.317 54 residues pruned to eliminate duplicates Z: 19 15.990 1.995 0.497 0.459 0.889 0.667 CB 1.480 Z: 16 20.178 1.855 0.506 0.873 0.933 0.733 CB 1.456 16 residues pruned to eliminate duplicates Z: 19 20.688 1.806 0.443 0.910 1.000 0.667 CA 1.327 19 residues pruned to eliminate duplicates Z: 11 13.779 2.173 0.407 0.504 0.800 0.500 CB 1.775 11 residues pruned to eliminate duplicates Z: 17 21.090 1.775 0.483 0.899 1.000 0.812 CB 1.431 16 residues pruned to eliminate duplicates Z: 31 44.844 2.186 0.627 0.933 0.967 0.833 CB 1.662 31 residues pruned to eliminate duplicates Z: 15 19.090 1.967 0.611 0.756 1.000 0.500 CB 1.281 15 residues pruned to eliminate duplicates Z: 28 48.646 2.110 0.975 0.937 1.000 0.741 CB 1.563 28 residues pruned to eliminate duplicates Z: 8 16.112 2.138 0.512 0.895 0.857 0.857 CB 1.576 8 residues pruned to eliminate duplicates Z: 18 27.626 1.942 0.869 0.864 0.882 0.529 CA 1.534 18 residues pruned to eliminate duplicates Z: 17 14.597 1.894 0.576 0.421 0.875 0.625 CA 1.516 17 residues pruned to eliminate duplicates Z: 13 3.974 1.409 0.609 0.209 0.667 0.250 CB 1.070 Z: 31 44.924 2.137 0.800 0.899 0.967 0.867 CA 1.577 31 residues pruned to eliminate duplicates Z: 6 3.281 1.506 0.497 0.524 0.800 0.600 CB 0.795 Z: 8 10.891 1.790 0.379 0.858 1.000 0.857 CB 1.228 8 residues pruned to eliminate duplicates Z: 6 8.413 1.932 0.808 0.861 1.000 1.000 CA 0.792 6 residues pruned to eliminate duplicates Z: 12 19.609 1.893 0.667 0.873 0.909 0.818 CA 1.501 12 residues pruned to eliminate duplicates Z: 17 10.407 1.802 0.644 0.438 0.875 0.562 CB 1.069 Z: 13 20.158 1.976 0.456 0.782 1.000 0.667 CA 1.577 13 residues pruned to eliminate duplicates Z: 8 9.249 1.725 0.394 0.779 1.000 0.714 CB 1.136 8 residues pruned to eliminate duplicates Z: 9 16.578 2.053 0.457 0.899 1.000 0.875 CA 1.401 9 residues pruned to eliminate duplicates Z: 22 33.952 2.075 0.655 0.913 0.952 0.762 CB 1.604 21 residues pruned to eliminate duplicates Z: 7 7.029 2.207 0.421 0.499 0.500 0.333 CA 1.831 7 residues pruned to eliminate duplicates Z: 23 21.877 2.012 0.195 0.932 0.955 0.955 CA 1.420 23 residues pruned to eliminate duplicates Z: 11 20.342 1.976 0.635 0.809 1.000 0.700 CA 1.521 11 residues pruned to eliminate duplicates Z: 8 18.290 1.815 0.790 0.876 1.000 0.857 CB 1.546 8 residues pruned to eliminate duplicates Z: 10 9.202 1.869 0.043 0.816 1.000 0.556 CB 1.196 Z: 6 12.056 2.247 0.390 0.694 1.000 0.600 CB 1.447 6 residues pruned to eliminate duplicates Z: 41 31.816 2.131 0.756 0.579 0.875 0.550 CB 1.423 41 residues pruned to eliminate duplicates Z: 6 15.904 2.272 1.054 0.853 0.800 0.800 CB 1.409 6 residues pruned to eliminate duplicates Z: 36 24.214 1.922 0.674 0.524 0.886 0.657 CB 1.402 36 residues pruned to eliminate duplicates Z: 13 17.630 1.909 0.597 0.898 1.000 0.750 CB 1.195 13 residues pruned to eliminate duplicates Z: 44 28.673 2.153 0.664 0.525 0.860 0.512 CB 1.384 43 residues pruned to eliminate duplicates Z: 15 23.144 1.908 0.459 0.909 1.000 1.000 CB 1.577 15 residues pruned to eliminate duplicates Z: 15 28.545 2.170 0.486 0.925 1.000 0.929 CA 1.659 15 residues pruned to eliminate duplicates Z: 24 10.234 1.874 0.420 0.440 0.870 0.609 CB 0.981 24 residues pruned to eliminate duplicates Z: 15 20.905 1.909 0.495 0.897 1.000 0.929 CB 1.401 15 residues pruned to eliminate duplicates Z: 18 10.082 2.071 0.488 0.416 0.706 0.529 CB 1.227 7 residues pruned to eliminate duplicates Z: 11 24.272 2.069 0.768 0.924 1.000 0.500 CB 1.473 11 residues pruned to eliminate duplicates Z: 83 42.093 1.996 0.669 0.605 0.902 0.537 CB 1.399 74 residues pruned to eliminate duplicates Z: 24 44.619 2.158 1.118 0.880 1.000 0.783 CB 1.475 24 residues pruned to eliminate duplicates Z: 12 21.464 1.987 0.514 0.919 1.000 0.727 CB 1.517 12 residues pruned to eliminate duplicates Z: 17 23.228 1.846 0.541 0.864 1.000 0.688 CB 1.496 17 residues pruned to eliminate duplicates Z: 27 36.788 1.944 0.772 0.880 0.962 0.692 CB 1.579 27 residues pruned to eliminate duplicates Z: 16 16.320 1.756 0.594 0.877 0.933 0.600 CB 1.171 14 residues pruned to eliminate duplicates Z: 16 28.863 2.127 0.846 0.815 0.933 0.733 CB 1.547 16 residues pruned to eliminate duplicates Z: 9 13.050 1.664 0.681 0.707 1.000 0.500 O 1.367 9 residues pruned to eliminate duplicates Z: 8 13.548 1.894 0.604 0.852 1.000 0.857 CA 1.246 8 residues pruned to eliminate duplicates Z: 13 21.512 1.950 0.428 0.877 1.000 0.833 CB 1.619 13 residues pruned to eliminate duplicates Z: 29 26.883 2.021 0.560 0.631 0.964 0.679 CB 1.477 29 residues pruned to eliminate duplicates Z: 30 50.149 2.140 1.097 0.920 0.897 0.586 CB 1.629 30 residues pruned to eliminate duplicates Z: 24 22.488 1.817 0.474 0.909 0.957 0.826 CB 1.300 Z: 6 7.083 1.819 0.067 0.727 1.000 0.800 CB 1.331 Z: 12 39.634 2.232 1.434 0.930 1.000 0.455 CB 1.539 12 residues pruned to eliminate duplicates Z: 16 10.494 1.722 0.399 0.488 0.867 0.533 CB 1.314 14 residues pruned to eliminate duplicates Z: 101 73.122 2.255 0.856 0.641 0.950 0.650 CB 1.612 101 residues pruned to eliminate duplicates Z: 51 34.326 2.222 0.657 0.457 0.920 0.580 CB 1.497 51 residues pruned to eliminate duplicates Z: 12 26.588 2.056 0.846 0.931 1.000 0.636 CB 1.476 12 residues pruned to eliminate duplicates Z: 8 18.042 2.165 0.593 0.768 1.000 0.429 CB 1.559 8 residues pruned to eliminate duplicates Z: 32 49.715 2.160 0.798 0.943 1.000 0.871 CB 1.593 32 residues pruned to eliminate duplicates Z: 13 29.068 2.232 0.677 0.887 1.000 0.833 CA 1.616 13 residues pruned to eliminate duplicates Z: 13 22.185 1.961 0.631 0.898 1.000 0.833 CA 1.433 13 residues pruned to eliminate duplicates Z: 18 22.640 1.970 1.009 0.864 0.882 0.294 CB 1.153 18 residues pruned to eliminate duplicates Z: 12 16.169 1.744 0.671 0.879 0.909 0.545 CB 1.334 12 residues pruned to eliminate duplicates Z: 31 37.593 2.225 0.392 0.904 0.967 0.900 CA 1.632 31 residues pruned to eliminate duplicates Z: 11 18.550 1.804 0.760 0.896 1.000 0.600 CB 1.323 11 residues pruned to eliminate duplicates Z: 8 15.379 1.825 0.812 0.862 1.000 1.000 CB 1.290 8 residues pruned to eliminate duplicates Z: 8 4.121 1.944 0.241 0.301 0.714 0.429 CB 1.128 8 residues pruned to eliminate duplicates Z: 21 24.605 1.882 0.445 0.893 1.000 0.750 CA 1.452 21 residues pruned to eliminate duplicates Z: 13 19.898 2.068 0.203 0.922 1.000 0.833 CA 1.623 13 residues pruned to eliminate duplicates Z: 9 18.591 2.021 0.661 0.829 1.000 0.875 CA 1.473 9 residues pruned to eliminate duplicates Z: 11 20.514 2.113 0.402 0.876 1.000 0.900 CA 1.591 11 residues pruned to eliminate duplicates Z: 11 14.859 1.886 0.859 0.769 0.800 0.600 CB 1.320 Z: 12 25.656 2.155 0.616 0.917 1.000 0.727 CB 1.567 12 residues pruned to eliminate duplicates Z: 7 19.745 2.193 0.622 0.868 1.000 0.833 CB 1.657 7 residues pruned to eliminate duplicates Z: 8 12.408 2.077 0.162 0.809 1.000 0.714 CB 1.485 8 residues pruned to eliminate duplicates Z: 8 5.319 1.780 0.289 0.601 0.857 0.714 CB 0.929 Z: 9 15.624 1.841 0.739 0.891 0.875 0.750 CB 1.417 9 residues pruned to eliminate duplicates Z: 17 9.731 1.667 0.530 0.403 0.875 0.562 CB 1.207 Z: 39 20.322 1.799 0.584 0.583 0.868 0.474 CB 1.230 22 residues pruned to eliminate duplicates Z: 8 17.420 2.096 0.500 0.837 1.000 0.714 CB 1.566 8 residues pruned to eliminate duplicates Z: 35 19.528 2.036 0.655 0.397 0.824 0.382 CB 1.346 24 residues pruned to eliminate duplicates Z: 30 17.693 1.981 0.663 0.497 0.828 0.483 CB 1.208 15 residues pruned to eliminate duplicates Z: 28 48.321 2.105 1.052 0.932 1.000 0.667 CB 1.503 29 residues pruned to eliminate duplicates Z: 32 34.186 2.247 0.831 0.632 0.903 0.581 CB 1.460 32 residues pruned to eliminate duplicates Z: 13 26.873 2.074 1.024 0.890 1.000 0.833 CB 1.330 13 residues pruned to eliminate duplicates Z: 15 21.758 2.071 0.347 0.937 1.000 1.000 CA 1.451 15 residues pruned to eliminate duplicates Z: 16 18.253 1.716 0.754 0.890 1.000 0.867 CB 1.127 16 residues pruned to eliminate duplicates Z: 15 7.200 1.744 0.478 0.444 0.857 0.571 CB 0.923 Z: 8 21.071 2.081 1.066 0.625 1.000 0.571 CB 1.645 8 residues pruned to eliminate duplicates Z: 13 17.997 1.790 0.418 0.873 1.000 0.750 CB 1.491 13 residues pruned to eliminate duplicates Z: 10 21.411 2.062 0.735 0.862 1.000 0.556 CB 1.464 10 residues pruned to eliminate duplicates Z: 9 11.102 1.811 0.383 0.748 0.875 0.500 N 1.436 9 residues pruned to eliminate duplicates Z: 29 43.925 2.057 0.891 0.930 1.000 0.821 CB 1.492 29 residues pruned to eliminate duplicates Z: 14 25.859 2.001 0.695 0.874 1.000 0.692 CB 1.539 14 residues pruned to eliminate duplicates Z: 11 25.264 2.210 0.588 0.880 1.000 0.900 CA 1.650 11 residues pruned to eliminate duplicates Z: 14 22.881 1.896 0.455 0.933 1.000 0.923 CA 1.606 14 residues pruned to eliminate duplicates Z: 17 23.258 1.908 0.719 0.854 0.875 0.688 CA 1.496 17 residues pruned to eliminate duplicates Z: 9 10.463 1.674 0.363 0.803 0.875 0.750 CA 1.422 9 residues pruned to eliminate duplicates Z: 7 10.363 1.899 0.416 0.709 1.000 0.833 CB 1.301 7 residues pruned to eliminate duplicates Z: 26 28.651 2.041 0.318 0.922 0.920 0.760 CA 1.628 26 residues pruned to eliminate duplicates Z: 10 8.981 1.768 0.941 0.465 0.889 0.556 CB 1.017 10 residues pruned to eliminate duplicates Z: 18 8.975 1.729 0.271 0.431 0.882 0.471 CB 1.205 18 residues pruned to eliminate duplicates Z: 13 23.237 1.917 0.518 0.932 1.000 1.000 CB 1.610 13 residues pruned to eliminate duplicates Z: 6 3.270 1.446 0.113 0.519 0.800 0.600 CA 1.115 Z: 15 13.765 1.745 0.359 0.896 1.000 0.857 CB 1.111 10 residues pruned to eliminate duplicates Z: 6 3.974 1.766 0.071 0.452 0.800 0.600 CA 1.233 5 residues pruned to eliminate duplicates Z: 14 24.296 1.976 0.817 0.875 1.000 0.692 CB 1.365 14 residues pruned to eliminate duplicates Z: 28 26.838 1.959 0.705 0.681 0.926 0.630 CB 1.414 24 residues pruned to eliminate duplicates Z: 23 39.622 2.118 0.752 0.904 1.000 0.545 CB 1.621 23 residues pruned to eliminate duplicates Z: 15 11.940 1.695 0.394 0.736 0.857 0.643 CB 1.275 15 residues pruned to eliminate duplicates Z: 28 43.634 2.083 0.889 0.934 0.963 0.667 CB 1.545 28 residues pruned to eliminate duplicates Z: 9 12.610 1.875 0.578 0.623 0.875 0.375 CA 1.534 9 residues pruned to eliminate duplicates Z: 12 12.505 1.790 0.439 0.579 1.000 0.727 CB 1.358 12 residues pruned to eliminate duplicates Z: 13 19.981 2.084 0.246 0.871 1.000 0.917 CA 1.620 13 residues pruned to eliminate duplicates Z: 41 46.881 2.126 0.931 0.729 0.900 0.675 CA 1.633 41 residues pruned to eliminate duplicates Z: 10 9.440 1.696 0.334 0.821 0.778 0.556 CB 1.354 Z: 17 27.695 2.054 0.544 0.874 1.000 0.812 CB 1.588 17 residues pruned to eliminate duplicates Z: 30 43.347 1.987 0.933 0.901 1.000 0.793 CA 1.495 30 residues pruned to eliminate duplicates Z: 29 46.202 2.053 1.032 0.934 0.964 0.750 CB 1.514 29 residues pruned to eliminate duplicates Z: 8 15.122 1.907 0.656 0.821 1.000 0.857 CB 1.370 8 residues pruned to eliminate duplicates Z: 29 42.612 2.027 0.963 0.929 0.964 0.607 CA 1.469 29 residues pruned to eliminate duplicates Z: 25 27.986 2.047 0.405 0.843 0.958 0.792 CA 1.543 25 residues pruned to eliminate duplicates Z: 24 22.502 1.846 0.421 0.889 0.957 0.739 CB 1.346 24 residues pruned to eliminate duplicates Z: 28 18.555 2.137 0.458 0.376 0.889 0.444 CB 1.471 28 residues pruned to eliminate duplicates Z: 32 45.341 2.060 1.186 0.894 0.903 0.387 CB 1.437 32 residues pruned to eliminate duplicates Z: 17 23.036 1.827 0.778 0.819 0.938 0.625 CB 1.434 17 residues pruned to eliminate duplicates Z: 13 26.881 2.063 0.578 0.898 1.000 0.583 CB 1.705 13 residues pruned to eliminate duplicates Z: 18 22.469 1.838 0.558 0.879 0.941 0.706 CB 1.467 17 residues pruned to eliminate duplicates Z: 18 20.142 1.884 0.232 0.897 1.000 0.824 CB 1.506 18 residues pruned to eliminate duplicates Z: 8 5.566 2.002 0.330 0.344 0.714 0.286 CB 1.310 8 residues pruned to eliminate duplicates Z: 43 22.055 1.933 0.473 0.530 0.857 0.619 CB 1.354 43 residues pruned to eliminate duplicates Z: 8 13.500 1.987 0.664 0.865 0.857 0.857 CB 1.319 Z: 32 41.286 2.115 0.576 0.923 1.000 0.935 CA 1.563 32 residues pruned to eliminate duplicates Z: 14 26.223 2.117 0.625 0.897 1.000 0.923 CB 1.513 14 residues pruned to eliminate duplicates Z: 29 41.084 2.025 0.825 0.930 1.000 0.821 CB 1.469 29 residues pruned to eliminate duplicates 6 0.812 1.457 0.365 0.306 0.400 0.400 N 0.567 ? Z: 11 23.920 2.125 0.594 0.920 1.000 0.800 CB 1.572 11 residues pruned to eliminate duplicates Z: 29 36.647 1.951 0.628 0.904 0.964 0.750 CA 1.611 29 residues pruned to eliminate duplicates Z: 11 15.514 1.813 0.686 0.872 1.000 0.800 CB 1.170 11 residues pruned to eliminate duplicates Z: 15 28.003 2.071 0.763 0.920 1.000 0.929 CB 1.444 15 residues pruned to eliminate duplicates Z: 15 12.917 1.735 0.298 0.884 1.000 0.857 CB 1.108 15 residues pruned to eliminate duplicates Z: 13 13.894 1.835 0.596 0.798 0.917 0.583 CB 1.151 13 residues pruned to eliminate duplicates Z: 11 29.829 2.347 0.849 0.906 1.000 0.900 CB 1.546 11 residues pruned to eliminate duplicates Z: 8 8.021 1.839 0.152 0.670 1.000 0.857 CB 1.224 8 residues pruned to eliminate duplicates Z: 31 17.530 1.980 0.534 0.368 0.867 0.467 CB 1.402 31 residues pruned to eliminate duplicates Z: 45 63.143 2.238 0.954 0.816 1.000 0.841 CA 1.653 45 residues pruned to eliminate duplicates Z: 25 17.638 1.871 0.492 0.631 0.833 0.667 CB 1.369 22 residues pruned to eliminate duplicates Z: 23 29.444 2.043 0.410 0.922 0.955 0.864 CB 1.605 23 residues pruned to eliminate duplicates Z: 13 11.583 1.816 0.408 0.770 0.833 0.583 CB 1.236 13 residues pruned to eliminate duplicates Z: 31 31.194 1.958 0.838 0.725 0.900 0.633 CB 1.436 19 residues pruned to eliminate duplicates Z: 21 26.255 1.883 0.726 0.907 0.950 0.600 CB 1.351 21 residues pruned to eliminate duplicates Z: 11 12.256 1.913 0.438 0.829 0.900 0.800 CA 1.178 11 residues pruned to eliminate duplicates Z: 8 18.088 2.098 0.494 0.885 1.000 1.000 CB 1.574 8 residues pruned to eliminate duplicates Z: 28 24.694 2.027 0.717 0.608 0.889 0.630 CB 1.387 28 residues pruned to eliminate duplicates Z: 11 6.169 1.758 0.890 0.243 0.800 0.300 CB 0.988 11 residues pruned to eliminate duplicates Z: 27 28.312 2.046 0.671 0.644 0.962 0.692 CB 1.477 27 residues pruned to eliminate duplicates Z: 14 25.560 2.124 0.587 0.896 0.923 0.538 CA 1.633 14 residues pruned to eliminate duplicates Z: 6 16.726 2.121 0.897 0.809 1.000 0.800 CA 1.420 6 residues pruned to eliminate duplicates Z: 10 3.674 1.589 0.088 0.217 0.889 0.222 CB 1.111 Z: 11 6.677 1.671 0.603 0.625 1.000 0.600 CB 0.701 Z: 13 9.035 1.828 0.630 0.462 0.833 0.583 CB 1.092 13 residues pruned to eliminate duplicates Z: 69 58.459 2.237 1.104 0.581 0.897 0.544 CB 1.553 69 residues pruned to eliminate duplicates Z: 39 27.153 2.167 0.638 0.497 0.921 0.684 CB 1.351 39 residues pruned to eliminate duplicates Z: 12 6.763 1.653 0.081 0.830 0.818 0.545 CB 1.048 10 residues pruned to eliminate duplicates Z: 36 19.115 2.036 0.564 0.546 0.857 0.657 CB 1.132 36 residues pruned to eliminate duplicates Z: 17 25.143 1.965 0.603 0.860 0.938 0.625 CB 1.566 16 residues pruned to eliminate duplicates Z: 28 30.916 1.912 0.483 0.895 0.963 0.852 CA 1.562 28 residues pruned to eliminate duplicates Z: 20 22.948 1.846 0.550 0.865 1.000 0.737 CB 1.349 20 residues pruned to eliminate duplicates Z: 13 15.872 1.924 0.292 0.878 1.000 0.917 CB 1.337 13 residues pruned to eliminate duplicates Z: 8 8.295 1.848 0.413 0.806 0.714 0.429 CB 1.287 8 residues pruned to eliminate duplicates Z: 8 15.741 2.051 0.631 0.796 0.857 0.714 CA 1.601 8 residues pruned to eliminate duplicates Z: 29 50.727 2.097 0.991 0.946 1.000 0.786 CA 1.589 29 residues pruned to eliminate duplicates Z: 11 10.678 1.729 0.391 0.826 1.000 0.800 CB 1.059 10 residues pruned to eliminate duplicates Z: 17 20.766 1.954 0.196 0.888 1.000 0.938 CA 1.599 18 residues pruned to eliminate duplicates Z: 6 9.231 1.908 0.438 0.595 1.000 1.000 CB 1.374 6 residues pruned to eliminate duplicates Z: 13 12.021 1.775 0.306 0.872 0.917 0.833 CA 1.191 13 residues pruned to eliminate duplicates Z: 13 31.353 2.045 1.308 0.876 1.000 0.500 CB 1.393 13 residues pruned to eliminate duplicates Z: 11 11.509 1.747 0.155 0.914 1.000 0.800 CB 1.276 11 residues pruned to eliminate duplicates Z: 16 13.248 1.725 0.690 0.906 0.867 0.800 CB 0.963 16 residues pruned to eliminate duplicates Z: 48 27.864 2.137 0.639 0.481 0.851 0.553 CB 1.390 69 residues pruned to eliminate duplicates Z: 28 48.414 2.121 1.115 0.925 0.963 0.741 CB 1.513 37 residues pruned to eliminate duplicates Z: 15 18.601 1.887 0.545 0.852 0.929 0.500 CB 1.358 15 residues pruned to eliminate duplicates Z: 16 22.412 2.090 0.267 0.895 1.000 0.667 CA 1.566 16 residues pruned to eliminate duplicates Z: 9 24.035 2.102 0.848 0.872 1.000 0.750 CB 1.595 9 residues pruned to eliminate duplicates Z: 7 13.179 2.166 0.198 0.896 1.000 0.667 CB 1.485 7 residues pruned to eliminate duplicates Z: 17 14.081 2.098 0.566 0.456 0.938 0.625 CB 1.196 17 residues pruned to eliminate duplicates Z: 8 7.098 1.589 0.475 0.771 0.857 0.714 CA 1.050 8 residues pruned to eliminate duplicates Z: 15 19.774 1.869 0.403 0.829 1.000 0.857 CA 1.516 19 residues pruned to eliminate duplicates Z: 7 10.695 2.006 0.206 0.758 1.000 0.833 CA 1.434 7 residues pruned to eliminate duplicates Z: 22 18.131 1.824 0.129 0.949 1.000 0.952 CB 1.326 23 residues pruned to eliminate duplicates Z: 8 10.296 1.956 0.097 0.878 1.000 0.857 CB 1.316 8 residues pruned to eliminate duplicates Z: 30 51.374 2.285 0.900 0.918 1.000 0.483 CB 1.550 30 residues pruned to eliminate duplicates Z: 21 30.919 2.052 0.688 0.734 1.000 0.800 CA 1.618 Z: 14 18.280 1.829 0.392 0.902 1.000 0.923 CB 1.420 14 residues pruned to eliminate duplicates Z: 18 18.597 1.829 0.715 0.552 0.882 0.588 CB 1.550 18 residues pruned to eliminate duplicates Z: 18 25.867 1.926 0.705 0.877 0.941 0.765 CA 1.474 18 residues pruned to eliminate duplicates Z: 8 3.524 1.551 0.340 0.291 0.714 0.429 CB 1.134 Z: 31 28.340 2.062 0.637 0.741 0.867 0.633 CB 1.425 31 residues pruned to eliminate duplicates Z: 7 25.712 2.097 1.092 0.908 1.000 1.000 N 1.699 7 residues pruned to eliminate duplicates Z: 10 19.109 2.088 0.379 0.845 1.000 0.667 CA 1.645 10 residues pruned to eliminate duplicates Z: 21 18.417 1.662 0.456 0.922 0.950 0.650 CB 1.260 Z: 17 16.319 2.030 0.443 0.529 0.875 0.375 CB 1.547 17 residues pruned to eliminate duplicates Z: 14 13.069 1.817 0.064 0.840 1.000 0.923 CB 1.400 12 residues pruned to eliminate duplicates Z: 8 8.202 1.943 0.144 0.593 1.000 0.857 CB 1.276 8 residues pruned to eliminate duplicates Z: 86 41.944 2.127 0.820 0.465 0.871 0.553 CB 1.398 75 residues pruned to eliminate duplicates Z: 32 30.339 1.971 0.730 0.778 0.903 0.645 CB 1.385 32 residues pruned to eliminate duplicates Z: 19 21.431 2.109 0.639 0.519 0.889 0.556 CB 1.613 19 residues pruned to eliminate duplicates Z: 15 13.699 1.776 1.036 0.641 0.786 0.571 CB 1.129 13 residues pruned to eliminate duplicates Z: 29 47.203 2.072 0.949 0.945 1.000 0.571 CB 1.529 29 residues pruned to eliminate duplicates Z: 14 19.021 1.889 0.356 0.919 1.000 0.923 CB 1.452 14 residues pruned to eliminate duplicates Z: 12 13.417 1.807 0.422 0.862 0.909 0.636 CB 1.271 12 residues pruned to eliminate duplicates Z: 28 31.500 1.980 0.640 0.821 0.926 0.815 CA 1.526 28 residues pruned to eliminate duplicates Z: 32 47.503 2.052 1.140 0.934 0.935 0.452 CB 1.448 32 residues pruned to eliminate duplicates Z: 24 35.543 2.055 0.779 0.932 0.913 0.522 CB 1.551 24 residues pruned to eliminate duplicates Z: 28 34.762 2.013 0.725 0.836 0.963 0.815 CA 1.497 28 residues pruned to eliminate duplicates Z: 29 29.059 1.914 0.487 0.865 0.929 0.893 CA 1.523 29 residues pruned to eliminate duplicates Z: 20 21.678 1.757 0.619 0.885 0.947 0.632 CB 1.332 21 residues pruned to eliminate duplicates Z: 13 11.582 1.687 0.382 0.627 1.000 0.667 CB 1.272 10 residues pruned to eliminate duplicates Z: 17 20.462 1.860 0.291 0.886 1.000 0.938 CA 1.537 17 residues pruned to eliminate duplicates Z: 13 30.939 2.041 1.453 0.911 0.917 0.583 CB 1.379 13 residues pruned to eliminate duplicates Z: 16 28.389 2.047 0.597 0.896 1.000 0.800 CA 1.606 17 residues pruned to eliminate duplicates Z: 9 4.963 1.615 0.267 0.308 0.875 0.500 CB 1.212 Z: 12 17.439 1.911 0.681 0.872 0.909 0.818 CB 1.313 12 residues pruned to eliminate duplicates Z: 23 20.009 1.816 0.327 0.913 0.955 0.909 CB 1.312 22 residues pruned to eliminate duplicates Z: 16 28.227 2.040 0.779 0.907 0.933 0.800 CB 1.530 16 residues pruned to eliminate duplicates Z: 15 23.137 2.037 0.505 0.899 0.929 0.857 CB 1.553 15 residues pruned to eliminate duplicates Z: 7 6.741 1.594 0.462 0.649 0.833 0.667 CB 1.233 7 residues pruned to eliminate duplicates Z: 34 15.286 1.919 0.575 0.403 0.879 0.606 CB 1.110 34 residues pruned to eliminate duplicates Z: 17 12.810 1.674 0.213 0.832 0.938 0.875 CB 1.263 17 residues pruned to eliminate duplicates Z: 13 25.109 2.055 0.675 0.884 1.000 0.750 CA 1.522 13 residues pruned to eliminate duplicates Z: 13 26.678 2.094 1.017 0.863 1.000 0.750 CB 1.337 13 residues pruned to eliminate duplicates Z: 23 12.378 1.776 0.529 0.433 0.773 0.500 CB 1.349 23 residues pruned to eliminate duplicates Z: 29 22.134 1.964 0.705 0.517 0.821 0.536 CB 1.495 31 residues pruned to eliminate duplicates Z: 10 9.506 1.783 0.710 0.450 0.889 0.333 CB 1.230 10 residues pruned to eliminate duplicates Z: 16 23.734 1.894 0.530 0.894 1.000 0.800 CB 1.517 16 residues pruned to eliminate duplicates Z: 21 26.566 1.938 0.730 0.838 1.000 0.500 CB 1.324 21 residues pruned to eliminate duplicates Z: 17 20.961 1.962 0.424 0.793 1.000 0.812 CB 1.452 17 residues pruned to eliminate duplicates Z: 7 8.230 1.836 0.454 0.789 0.833 0.667 CA 1.171 7 residues pruned to eliminate duplicates Z: 15 20.207 2.056 0.406 0.749 0.929 0.714 CB 1.611 15 residues pruned to eliminate duplicates Z: 6 9.087 2.052 0.297 0.540 1.000 0.800 CA 1.469 6 residues pruned to eliminate duplicates Z: 62 38.587 2.211 0.790 0.501 0.934 0.508 CB 1.335 61 residues pruned to eliminate duplicates Z: 7 21.606 2.057 0.767 0.912 1.000 1.000 CB 1.718 7 residues pruned to eliminate duplicates Z: 8 9.348 1.860 0.522 0.712 0.857 0.857 CB 1.201 8 residues pruned to eliminate duplicates Z: 7 4.128 1.592 0.478 0.624 0.833 0.667 CB 0.765 Z: 21 19.762 1.711 0.513 0.941 1.000 0.850 CB 1.184 20 residues pruned to eliminate duplicates Z: 8 14.393 2.036 0.391 0.663 1.000 0.714 CB 1.653 8 residues pruned to eliminate duplicates Z: 29 31.822 2.037 0.651 0.641 1.000 0.750 CB 1.567 21 residues pruned to eliminate duplicates Z: 10 16.777 1.849 0.903 0.877 0.889 0.778 CA 1.299 10 residues pruned to eliminate duplicates Z: 9 7.596 1.879 0.149 0.782 1.000 0.750 CB 0.970 9 residues pruned to eliminate duplicates Z: 28 49.918 2.115 1.119 0.949 0.963 0.556 CB 1.536 28 residues pruned to eliminate duplicates Z: 23 28.883 2.004 0.594 0.895 0.955 0.818 CB 1.448 23 residues pruned to eliminate duplicates Z: 7 9.727 1.942 0.202 0.823 1.000 0.667 CB 1.286 7 residues pruned to eliminate duplicates Z: 16 23.826 2.022 0.345 0.940 1.000 0.933 CA 1.570 16 residues pruned to eliminate duplicates Z: 81 31.695 2.003 0.583 0.510 0.887 0.625 CB 1.246 78 residues pruned to eliminate duplicates Z: 27 37.154 2.055 0.697 0.943 1.000 0.808 CB 1.448 27 residues pruned to eliminate duplicates Z: 118 62.345 2.240 0.735 0.617 0.897 0.607 CB 1.480 144 residues pruned to eliminate duplicates Z: 23 32.146 2.058 0.481 0.888 1.000 0.818 CB 1.620 23 residues pruned to eliminate duplicates Z: 6 4.359 1.703 0.303 0.433 0.800 0.800 N 1.178 Z: 15 17.385 1.943 0.405 0.805 1.000 0.500 CB 1.305 Z: 29 40.804 2.041 0.684 0.939 1.000 0.857 CA 1.559 29 residues pruned to eliminate duplicates Z: 56 29.453 2.173 0.688 0.404 0.909 0.527 CB 1.318 56 residues pruned to eliminate duplicates 6 1.381 1.589 -0.108 0.294 0.600 0.400 CB 0.914 ? Z: 8 7.499 1.719 0.338 0.688 1.000 0.714 CB 1.038 Z: 15 20.815 1.858 0.602 0.925 1.000 0.857 CB 1.312 15 residues pruned to eliminate duplicates Z: 14 14.730 1.751 0.387 0.874 1.000 0.692 CB 1.224 Z: 10 14.404 1.856 0.444 0.876 1.000 0.667 CA 1.302 10 residues pruned to eliminate duplicates Z: 28 25.015 1.988 0.727 0.591 0.926 0.704 CB 1.387 28 residues pruned to eliminate duplicates Z: 12 8.493 1.919 0.356 0.521 0.727 0.364 CB 1.325 12 residues pruned to eliminate duplicates Z: 30 28.281 1.988 0.852 0.583 0.931 0.621 CB 1.414 30 residues pruned to eliminate duplicates Z: 16 20.340 1.887 0.532 0.891 0.933 0.667 CB 1.400 16 residues pruned to eliminate duplicates Z: 6 10.962 2.023 0.459 0.754 0.800 0.800 CA 1.656 6 residues pruned to eliminate duplicates Z: 15 10.336 1.814 0.265 0.771 0.929 0.500 CB 1.020 15 residues pruned to eliminate duplicates Z: 43 64.143 2.335 1.053 0.774 0.952 0.833 CA 1.702 43 residues pruned to eliminate duplicates Z: 13 28.157 2.156 0.850 0.831 1.000 0.583 CA 1.530 13 residues pruned to eliminate duplicates Z: 12 32.068 2.271 1.054 0.885 1.000 0.727 CA 1.496 12 residues pruned to eliminate duplicates Z: 11 16.308 1.921 0.562 0.893 0.900 0.900 CB 1.370 11 residues pruned to eliminate duplicates Z: 6 6.223 1.633 0.055 0.726 1.000 0.600 CA 1.318 9 residues pruned to eliminate duplicates Z: 28 32.382 2.224 0.977 0.553 0.852 0.519 CB 1.580 28 residues pruned to eliminate duplicates Z: 23 31.347 2.051 0.629 0.888 0.909 0.864 CB 1.585 23 residues pruned to eliminate duplicates Z: 24 20.008 1.919 0.562 0.614 0.870 0.435 CB 1.437 20 residues pruned to eliminate duplicates Z: 11 19.397 1.968 0.568 0.908 1.000 0.500 CB 1.411 11 residues pruned to eliminate duplicates Z: 15 27.329 2.061 0.669 0.913 1.000 0.857 CB 1.503 15 residues pruned to eliminate duplicates Z: 18 19.578 2.046 0.752 0.505 0.941 0.647 CB 1.400 18 residues pruned to eliminate duplicates Z: 42 38.764 2.080 0.936 0.672 0.854 0.707 CA 1.503 42 residues pruned to eliminate duplicates Z: 29 50.756 2.276 1.027 0.932 0.929 0.607 CB 1.564 29 residues pruned to eliminate duplicates Z: 59 24.569 2.035 0.513 0.416 0.845 0.414 CB 1.355 56 residues pruned to eliminate duplicates Z: 21 18.981 1.739 0.577 0.919 0.950 0.700 CB 1.148 21 residues pruned to eliminate duplicates Z: 14 12.818 1.760 0.218 0.901 1.000 1.000 CB 1.184 14 residues pruned to eliminate duplicates Z: 16 26.882 2.326 0.756 0.722 0.867 0.867 CB 1.605 16 residues pruned to eliminate duplicates Z: 6 4.385 1.823 0.126 0.663 0.800 0.600 CB 1.027 6 residues pruned to eliminate duplicates Z: 11 12.596 1.762 0.199 0.854 1.000 0.700 CB 1.393 11 residues pruned to eliminate duplicates Z: 13 25.186 2.185 0.689 0.892 1.000 0.833 CB 1.416 15 residues pruned to eliminate duplicates Z: 23 22.863 1.873 0.422 0.864 0.955 0.773 CB 1.406 23 residues pruned to eliminate duplicates Z: 17 18.883 1.809 0.390 0.902 1.000 0.938 CA 1.340 17 residues pruned to eliminate duplicates Z: 16 10.976 1.776 0.534 0.413 0.933 0.333 CB 1.221 16 residues pruned to eliminate duplicates Z: 15 19.664 1.855 0.333 0.877 1.000 0.786 CA 1.543 15 residues pruned to eliminate duplicates Z: 8 14.865 2.216 0.279 0.897 0.857 0.714 CA 1.656 8 residues pruned to eliminate duplicates Z: 22 21.241 1.984 0.477 0.700 0.905 0.810 CB 1.457 22 residues pruned to eliminate duplicates Z: 23 14.124 2.122 0.507 0.249 0.864 0.409 CB 1.456 23 residues pruned to eliminate duplicates Z: 27 23.837 1.909 0.238 0.925 0.962 0.885 CA 1.443 27 residues pruned to eliminate duplicates Z: 22 21.577 1.867 0.556 0.874 0.905 0.667 CB 1.303 22 residues pruned to eliminate duplicates Z: 7 5.666 1.381 0.346 0.765 1.000 0.667 O 0.984 7 residues pruned to eliminate duplicates Z: 7 3.837 1.555 0.438 0.446 0.667 0.500 CB 1.111 Z: 18 21.961 1.907 0.690 0.803 0.882 0.647 CB 1.438 18 residues pruned to eliminate duplicates Z: 28 44.654 2.102 0.968 0.938 0.963 0.778 CB 1.500 28 residues pruned to eliminate duplicates Z: 29 24.854 1.961 0.482 0.686 0.893 0.714 CB 1.527 20 residues pruned to eliminate duplicates Z: 28 47.759 2.210 0.782 0.923 1.000 0.889 CA 1.640 28 residues pruned to eliminate duplicates Z: 18 20.783 1.959 0.421 0.859 0.941 0.882 CA 1.416 18 residues pruned to eliminate duplicates Z: 44 29.023 2.026 0.422 0.589 0.907 0.651 CB 1.555 43 residues pruned to eliminate duplicates Z: 12 5.645 1.841 0.446 0.358 0.636 0.455 CB 1.172 12 residues pruned to eliminate duplicates Z: 54 31.443 1.975 0.502 0.597 0.887 0.623 CB 1.497 54 residues pruned to eliminate duplicates Z: 17 24.510 2.020 0.391 0.869 1.000 0.875 CA 1.593 17 residues pruned to eliminate duplicates Z: 10 16.885 1.913 0.790 0.864 0.889 0.889 CB 1.356 10 residues pruned to eliminate duplicates Z: 14 14.476 1.848 0.486 0.841 1.000 0.615 CB 1.090 16 residues pruned to eliminate duplicates Z: 28 37.295 1.945 0.754 0.908 0.963 0.667 CB 1.552 28 residues pruned to eliminate duplicates Z: 11 16.359 1.811 0.537 0.871 1.000 0.800 CB 1.355 11 residues pruned to eliminate duplicates Z: 50 48.177 2.273 0.612 0.763 0.939 0.816 CB 1.585 50 residues pruned to eliminate duplicates Z: 8 8.909 1.909 0.136 0.842 1.000 0.571 CB 1.157 8 residues pruned to eliminate duplicates Z: 29 33.991 1.937 0.920 0.898 0.893 0.500 CB 1.384 29 residues pruned to eliminate duplicates Z: 21 24.692 1.985 0.705 0.671 0.950 0.550 CB 1.466 21 residues pruned to eliminate duplicates Z: 9 15.398 1.866 0.622 0.811 1.000 0.750 CA 1.372 9 residues pruned to eliminate duplicates Z: 8 8.196 1.816 0.361 0.811 0.857 0.857 CB 1.115 8 residues pruned to eliminate duplicates Z: 14 16.536 1.930 0.474 0.842 1.000 0.462 CB 1.201 14 residues pruned to eliminate duplicates Z: 8 18.336 2.265 0.727 0.890 1.000 0.571 CB 1.274 8 residues pruned to eliminate duplicates Z: 18 21.006 1.907 0.448 0.859 1.000 0.882 CA 1.358 18 residues pruned to eliminate duplicates Z: 20 20.602 2.120 0.698 0.459 0.947 0.474 CB 1.445 20 residues pruned to eliminate duplicates Z: 8 6.125 1.799 0.125 0.482 0.857 0.286 C 1.360 Z: 7 10.655 1.934 0.430 0.673 1.000 0.667 CB 1.341 7 residues pruned to eliminate duplicates Z: 10 16.581 1.917 0.520 0.878 1.000 0.889 CB 1.377 10 residues pruned to eliminate duplicates Z: 7 6.139 1.867 0.069 0.497 1.000 0.667 CB 1.260 Z: 15 21.075 1.789 0.507 0.924 1.000 0.714 N 1.467 15 residues pruned to eliminate duplicates Z: 6 3.602 1.258 0.461 0.853 0.800 0.600 C 0.810 Z: 27 38.572 2.028 0.821 0.941 0.923 0.615 CB 1.540 27 residues pruned to eliminate duplicates Z: 14 17.279 1.834 0.734 0.926 1.000 0.769 CB 1.057 14 residues pruned to eliminate duplicates Z: 13 11.443 1.655 0.195 0.831 1.000 0.750 CB 1.255 12 residues pruned to eliminate duplicates Z: 13 25.231 2.103 0.579 0.903 1.000 0.917 CB 1.563 13 residues pruned to eliminate duplicates Z: 9 17.561 2.031 0.300 0.908 1.000 1.000 CB 1.672 9 residues pruned to eliminate duplicates Z: 8 8.449 2.025 0.258 0.704 0.714 0.571 CA 1.457 8 residues pruned to eliminate duplicates Z: 11 10.762 2.109 0.288 0.630 0.800 0.700 CA 1.386 11 residues pruned to eliminate duplicates Z: 19 11.776 1.925 0.719 0.352 0.944 0.611 CB 1.043 19 residues pruned to eliminate duplicates Z: 24 17.191 1.833 0.595 0.548 0.870 0.696 CA 1.344 24 residues pruned to eliminate duplicates Z: 16 28.340 1.890 0.736 0.902 1.000 0.867 CB 1.590 20 residues pruned to eliminate duplicates Z: 15 35.679 2.221 0.843 0.864 0.929 0.786 CA 1.840 15 residues pruned to eliminate duplicates Z: 28 19.570 1.919 0.576 0.586 0.926 0.593 CB 1.239 28 residues pruned to eliminate duplicates Z: 10 16.164 1.990 0.581 0.903 1.000 0.889 CB 1.221 11 residues pruned to eliminate duplicates Z: 6 2.006 1.288 0.319 0.415 0.600 0.400 N 0.962 Z: 31 19.768 2.076 0.435 0.512 0.833 0.500 CB 1.437 31 residues pruned to eliminate duplicates Z: 8 18.755 1.871 0.928 0.905 1.000 0.857 CB 1.399 8 residues pruned to eliminate duplicates Z: 56 56.004 2.205 0.817 0.699 0.945 0.745 CA 1.663 56 residues pruned to eliminate duplicates Z: 12 13.654 1.711 0.694 0.842 0.909 0.818 CB 1.164 12 residues pruned to eliminate duplicates Z: 31 23.480 2.101 0.520 0.558 0.800 0.600 CB 1.585 31 residues pruned to eliminate duplicates Z: 17 16.843 1.952 0.535 0.743 0.875 0.625 CB 1.292 14 residues pruned to eliminate duplicates Z: 16 24.777 2.043 0.585 0.844 0.933 0.733 CB 1.574 16 residues pruned to eliminate duplicates Z: 60 30.041 2.074 0.509 0.456 0.898 0.610 CB 1.455 60 residues pruned to eliminate duplicates Z: 62 39.062 2.236 0.703 0.514 0.902 0.623 CB 1.437 62 residues pruned to eliminate duplicates Z: 11 15.300 1.718 0.788 0.888 1.000 0.800 CA 1.134 Z: 27 21.220 1.916 0.376 0.604 0.923 0.692 CB 1.549 27 residues pruned to eliminate duplicates Z: 28 37.421 1.972 0.787 0.916 0.926 0.630 CB 1.559 28 residues pruned to eliminate duplicates Z: 17 30.679 2.017 0.851 0.834 1.000 0.562 CA 1.540 17 residues pruned to eliminate duplicates Z: 28 31.110 1.884 0.631 0.888 0.963 0.630 CB 1.458 28 residues pruned to eliminate duplicates Z: 8 9.192 1.639 0.727 0.745 0.857 0.857 CA 1.150 8 residues pruned to eliminate duplicates Z: 17 22.779 2.108 0.786 0.735 0.938 0.625 CB 1.306 17 residues pruned to eliminate duplicates Z: 16 16.116 1.784 0.512 0.834 0.933 0.800 CB 1.238 16 residues pruned to eliminate duplicates Z: 27 31.468 2.062 0.689 0.717 0.962 0.538 CB 1.514 28 residues pruned to eliminate duplicates Z: 21 18.007 1.999 0.648 0.504 0.850 0.600 CB 1.432 21 residues pruned to eliminate duplicates Z: 15 21.744 2.030 0.685 0.807 0.929 0.786 CB 1.399 17 residues pruned to eliminate duplicates Z: 28 47.701 2.099 0.939 0.941 1.000 0.778 CB 1.565 28 residues pruned to eliminate duplicates Z: 19 21.056 1.693 0.797 0.930 0.889 0.667 CB 1.284 19 residues pruned to eliminate duplicates Z: 14 30.728 1.950 0.926 0.908 1.000 0.692 CB 1.612 14 residues pruned to eliminate duplicates Z: 18 27.099 1.906 0.803 0.873 0.941 0.647 CA 1.480 18 residues pruned to eliminate duplicates Z: 30 27.908 2.181 0.706 0.499 0.931 0.621 CB 1.498 30 residues pruned to eliminate duplicates Z: 14 16.177 1.899 0.291 0.865 1.000 1.000 CB 1.341 14 residues pruned to eliminate duplicates Z: 21 14.205 2.005 0.733 0.445 0.750 0.550 CB 1.290 21 residues pruned to eliminate duplicates Z: 8 9.781 1.935 0.499 0.697 0.857 0.714 CB 1.243 8 residues pruned to eliminate duplicates Z: 11 10.718 1.737 0.485 0.851 0.900 0.700 CA 1.080 11 residues pruned to eliminate duplicates Z: 18 12.619 1.901 0.274 0.616 0.765 0.706 CB 1.480 18 residues pruned to eliminate duplicates Z: 30 23.253 1.989 0.587 0.611 0.862 0.586 CB 1.428 30 residues pruned to eliminate duplicates Z: 7 12.314 1.861 0.429 0.830 1.000 0.833 CB 1.421 7 residues pruned to eliminate duplicates Z: 15 19.868 1.880 0.318 0.923 1.000 0.857 CB 1.506 15 residues pruned to eliminate duplicates Z: 42 29.116 2.141 0.699 0.543 0.854 0.610 CB 1.404 42 residues pruned to eliminate duplicates Z: 22 24.313 1.820 0.792 0.938 1.000 0.810 CB 1.131 22 residues pruned to eliminate duplicates Z: 118 69.443 2.193 0.751 0.613 0.932 0.658 CB 1.612 118 residues pruned to eliminate duplicates Z: 14 28.604 2.087 0.600 0.881 1.000 0.923 CA 1.721 14 residues pruned to eliminate duplicates Z: 15 10.070 1.905 0.210 0.358 1.000 0.714 N 1.361 15 residues pruned to eliminate duplicates Z: 13 20.436 1.948 0.332 0.924 1.000 0.750 CB 1.597 13 residues pruned to eliminate duplicates Z: 23 28.172 1.951 0.889 0.846 0.864 0.318 CB 1.403 23 residues pruned to eliminate duplicates Z: 6 19.376 2.231 1.100 0.843 1.000 1.000 CA 1.377 6 residues pruned to eliminate duplicates Z: 8 10.739 1.671 0.717 0.821 1.000 0.714 CA 1.071 8 residues pruned to eliminate duplicates Z: 21 22.951 1.930 0.838 0.797 1.000 0.750 CB 1.116 21 residues pruned to eliminate duplicates Z: 13 20.470 1.962 0.607 0.907 1.000 0.750 CB 1.332 13 residues pruned to eliminate duplicates Z: 17 18.566 1.827 0.570 0.698 1.000 0.500 CB 1.351 17 residues pruned to eliminate duplicates Z: 6 3.266 1.353 0.631 0.554 0.600 0.600 N 1.047 Z: 7 6.328 1.535 0.320 0.829 0.833 0.667 N 1.151 6 residues pruned to eliminate duplicates Z: 16 30.403 2.007 0.907 0.892 0.933 0.733 CB 1.579 16 residues pruned to eliminate duplicates Z: 46 27.518 2.166 0.594 0.437 0.867 0.511 CB 1.463 46 residues pruned to eliminate duplicates Z: 25 26.148 1.979 0.242 0.922 0.958 0.917 CA 1.594 25 residues pruned to eliminate duplicates Z: 27 31.528 2.045 0.663 0.703 0.962 0.654 CB 1.572 27 residues pruned to eliminate duplicates Z: 7 12.348 1.981 0.546 0.846 1.000 0.833 CA 1.223 7 residues pruned to eliminate duplicates Z: 36 20.799 1.810 0.700 0.592 0.857 0.600 CB 1.221 36 residues pruned to eliminate duplicates Z: 7 11.147 1.958 0.308 0.713 1.000 0.833 CB 1.464 7 residues pruned to eliminate duplicates Z: 45 23.038 2.057 0.608 0.428 0.841 0.477 CB 1.345 45 residues pruned to eliminate duplicates Z: 6 5.322 1.918 0.352 0.694 0.800 0.800 CB 0.960 Z: 29 36.219 1.943 0.761 0.932 0.964 0.571 CB 1.448 29 residues pruned to eliminate duplicates Z: 29 30.339 2.099 0.763 0.610 0.929 0.607 CB 1.503 27 residues pruned to eliminate duplicates Z: 14 19.875 1.882 0.446 0.913 0.923 0.846 CB 1.553 14 residues pruned to eliminate duplicates Z: 15 23.054 1.920 0.659 0.862 1.000 0.857 CA 1.420 15 residues pruned to eliminate duplicates Z: 9 7.023 1.747 0.437 0.584 0.750 0.750 CB 1.216 9 residues pruned to eliminate duplicates Z: 15 20.539 1.733 0.591 0.931 1.000 0.857 CB 1.392 Z: 27 23.115 2.121 0.667 0.544 0.808 0.462 CB 1.521 27 residues pruned to eliminate duplicates Z: 27 53.044 2.161 1.364 0.944 0.962 0.231 CB 1.468 27 residues pruned to eliminate duplicates Z: 11 15.439 1.822 0.589 0.859 0.900 0.600 CB 1.379 11 residues pruned to eliminate duplicates Z: 10 16.960 1.937 0.444 0.879 1.000 0.889 CA 1.466 10 residues pruned to eliminate duplicates Z: 30 35.326 1.877 0.766 0.893 0.931 0.517 CB 1.526 30 residues pruned to eliminate duplicates Z: 32 20.473 2.041 0.558 0.523 0.903 0.613 CB 1.252 30 residues pruned to eliminate duplicates Z: 15 21.087 1.920 0.642 0.717 1.000 0.643 CB 1.469 19 residues pruned to eliminate duplicates Z: 10 4.721 1.567 0.255 0.407 0.889 0.556 CB 0.992 Z: 36 33.286 2.041 0.704 0.726 0.943 0.686 CB 1.400 38 residues pruned to eliminate duplicates Z: 14 12.760 1.863 0.608 0.863 0.846 0.538 CB 1.024 15 residues pruned to eliminate duplicates Z: 9 8.820 1.920 0.081 0.782 0.875 0.625 CB 1.339 9 residues pruned to eliminate duplicates Z: 6 5.191 1.783 0.031 0.740 0.800 0.600 CB 1.272 6 residues pruned to eliminate duplicates Z: 6 2.622 1.516 0.560 0.455 0.800 0.600 CB 0.649 Z: 16 7.439 1.793 0.501 0.272 0.800 0.333 CB 1.155 16 residues pruned to eliminate duplicates Z: 80 42.653 2.020 0.671 0.640 0.924 0.544 CB 1.350 80 residues pruned to eliminate duplicates Z: 27 27.321 2.092 0.660 0.660 0.885 0.654 CB 1.504 27 residues pruned to eliminate duplicates Z: 30 19.908 2.038 0.470 0.506 0.897 0.655 CB 1.367 30 residues pruned to eliminate duplicates Z: 27 38.008 1.998 0.855 0.896 0.923 0.538 CB 1.561 27 residues pruned to eliminate duplicates Z: 17 23.246 1.827 0.687 0.916 0.875 0.562 CB 1.522 17 residues pruned to eliminate duplicates Z: 12 15.520 1.748 0.495 0.925 1.000 0.818 CB 1.257 12 residues pruned to eliminate duplicates Z: 11 7.115 1.964 0.212 0.565 0.900 0.800 CB 0.986 9 residues pruned to eliminate duplicates Z: 13 12.966 1.661 0.318 0.849 1.000 0.833 CB 1.267 13 residues pruned to eliminate duplicates Z: 19 42.874 2.374 1.298 0.626 1.000 0.556 CB 1.645 19 residues pruned to eliminate duplicates Z: 19 16.824 1.709 0.230 0.922 1.000 0.833 CB 1.326 19 residues pruned to eliminate duplicates Z: 17 22.351 1.999 0.374 0.861 1.000 0.875 CA 1.495 17 residues pruned to eliminate duplicates Z: 18 9.591 1.803 0.459 0.447 0.882 0.706 CB 1.058 18 residues pruned to eliminate duplicates Z: 23 25.121 1.820 0.581 0.917 1.000 0.864 CB 1.313 25 residues pruned to eliminate duplicates Z: 8 15.870 2.064 0.649 0.836 1.000 0.857 CB 1.319 8 residues pruned to eliminate duplicates Z: 20 17.513 2.194 0.519 0.399 0.895 0.579 CB 1.499 20 residues pruned to eliminate duplicates Z: 17 12.661 1.717 0.451 0.483 0.938 0.438 CB 1.379 15 residues pruned to eliminate duplicates Z: 15 7.878 1.785 0.681 0.314 0.714 0.429 CB 1.208 15 residues pruned to eliminate duplicates Z: 16 8.270 1.695 0.416 0.371 0.800 0.467 CB 1.278 16 residues pruned to eliminate duplicates Z: 54 30.726 1.841 0.695 0.756 0.868 0.585 CB 1.241 51 residues pruned to eliminate duplicates Z: 13 23.158 2.037 0.456 0.893 1.000 0.833 CB 1.618 13 residues pruned to eliminate duplicates Z: 6 2.910 1.583 0.001 0.319 1.000 0.600 N 1.003 Z: 30 40.320 2.199 0.599 0.920 0.966 0.793 CB 1.553 30 residues pruned to eliminate duplicates Z: 10 2.252 1.520 0.301 0.279 0.778 0.556 CB 0.626 Z: 29 33.097 2.093 0.504 0.908 1.000 0.893 CA 1.411 29 residues pruned to eliminate duplicates Z: 27 46.152 2.345 1.147 0.673 0.923 0.577 CB 1.660 27 residues pruned to eliminate duplicates Z: 12 9.623 1.803 0.520 0.437 0.818 0.545 CB 1.381 12 residues pruned to eliminate duplicates Z: 11 20.256 2.022 0.570 0.876 1.000 0.700 CB 1.466 11 residues pruned to eliminate duplicates Z: 11 13.956 1.748 0.642 0.783 1.000 0.400 CB 1.199 11 residues pruned to eliminate duplicates Z: 6 3.701 1.506 0.906 0.428 1.000 0.400 CB 0.622 Z: 29 42.208 2.027 0.943 0.913 1.000 0.500 CB 1.434 29 residues pruned to eliminate duplicates Z: 13 15.660 1.728 0.482 0.917 1.000 0.917 CB 1.246 13 residues pruned to eliminate duplicates Z: 28 40.392 1.969 0.920 0.933 0.963 0.370 CB 1.490 28 residues pruned to eliminate duplicates Z: 6 2.768 1.491 0.382 0.533 0.600 0.600 CB 0.969 Z: 11 21.096 1.892 0.820 0.880 1.000 0.900 CB 1.403 10 residues pruned to eliminate duplicates Z: 11 3.867 1.611 0.446 0.202 0.700 0.400 CB 1.068 Z: 15 17.428 1.890 0.489 0.797 1.000 0.643 CB 1.276 15 residues pruned to eliminate duplicates Z: 29 40.776 1.973 0.912 0.926 0.929 0.536 CB 1.543 29 residues pruned to eliminate duplicates Z: 6 4.856 1.574 0.625 0.751 0.800 0.600 CA 0.849 6 residues pruned to eliminate duplicates Z: 17 15.570 2.026 0.528 0.435 0.938 0.562 CB 1.433 15 residues pruned to eliminate duplicates Z: 8 10.016 1.922 0.332 0.881 1.000 1.000 CB 1.070 8 residues pruned to eliminate duplicates Z: 11 14.116 1.806 0.512 0.900 0.900 0.800 CB 1.298 14 residues pruned to eliminate duplicates Z: 21 16.059 1.883 0.727 0.575 0.850 0.550 CB 1.208 30 residues pruned to eliminate duplicates Z: 9 11.571 1.834 0.808 0.718 0.750 0.625 CB 1.351 9 residues pruned to eliminate duplicates Z: 15 9.090 1.829 0.691 0.362 0.786 0.357 CB 1.160 13 residues pruned to eliminate duplicates Z: 8 15.739 2.146 0.174 0.895 1.000 1.000 CB 1.693 8 residues pruned to eliminate duplicates Z: 7 8.348 1.642 0.882 0.753 1.000 0.667 CB 0.880 Z: 11 10.796 1.823 0.468 0.483 0.900 0.700 CB 1.441 11 residues pruned to eliminate duplicates Z: 14 20.733 2.056 0.691 0.573 1.000 0.692 CA 1.540 14 residues pruned to eliminate duplicates Z: 11 17.058 1.895 0.541 0.910 1.000 1.000 CB 1.310 11 residues pruned to eliminate duplicates Z: 7 2.130 1.528 0.402 0.264 0.500 0.500 CB 1.062 Z: 12 13.753 1.771 0.220 0.856 1.000 0.818 CB 1.416 12 residues pruned to eliminate duplicates Z: 45 38.330 2.213 0.949 0.428 0.909 0.636 CA 1.589 45 residues pruned to eliminate duplicates Z: 7 3.244 1.785 0.174 0.278 0.833 0.500 CB 0.974 Z: 11 9.939 1.782 0.070 0.876 0.900 0.800 CB 1.331 11 residues pruned to eliminate duplicates Z: 15 20.216 2.060 0.664 0.867 0.929 0.500 CB 1.242 15 residues pruned to eliminate duplicates Z: 9 13.863 1.844 0.584 0.885 0.875 0.625 CB 1.385 9 residues pruned to eliminate duplicates Z: 7 5.717 1.783 0.690 0.491 0.667 0.667 CB 1.173 6 residues pruned to eliminate duplicates Z: 12 30.877 2.207 0.690 0.890 1.000 0.818 CB 1.796 12 residues pruned to eliminate duplicates Z: 14 20.121 1.856 0.566 0.909 1.000 0.692 CB 1.363 14 residues pruned to eliminate duplicates Z: 7 3.343 1.501 0.345 0.415 0.833 0.500 CB 0.887 Z: 13 15.492 1.954 0.218 0.908 1.000 0.833 CA 1.335 13 residues pruned to eliminate duplicates Z: 13 13.708 1.878 0.256 0.892 0.917 0.917 CB 1.314 13 residues pruned to eliminate duplicates Z: 19 17.167 1.633 0.623 0.878 0.944 0.667 CB 1.174 19 residues pruned to eliminate duplicates Z: 31 19.149 1.901 0.444 0.566 0.800 0.667 CB 1.493 31 residues pruned to eliminate duplicates Z: 32 26.285 1.996 0.846 0.609 0.871 0.484 CB 1.326 32 residues pruned to eliminate duplicates Z: 9 19.917 1.961 0.898 0.817 0.875 0.625 CA 1.641 9 residues pruned to eliminate duplicates 7 1.858 1.521 0.454 0.504 0.500 0.333 CB 0.683 ? Z: 10 8.433 1.618 0.032 0.850 0.889 0.889 O 1.404 10 residues pruned to eliminate duplicates Z: 23 15.268 2.097 0.583 0.295 0.864 0.545 CB 1.428 23 residues pruned to eliminate duplicates Z: 9 3.114 1.532 0.571 0.244 0.625 0.250 N 0.984 Z: 8 6.377 1.501 0.392 0.486 1.000 0.714 CB 1.169 Z: 13 28.168 1.990 0.862 0.898 1.000 0.583 CB 1.570 13 residues pruned to eliminate duplicates Z: 17 22.997 1.996 0.682 0.922 0.938 0.500 CB 1.285 17 residues pruned to eliminate duplicates Z: 28 17.089 1.857 0.619 0.402 0.926 0.519 CB 1.310 28 residues pruned to eliminate duplicates Z: 17 25.367 1.903 0.652 0.891 1.000 0.688 CA 1.450 17 residues pruned to eliminate duplicates Z: 83 50.568 2.214 0.635 0.569 0.939 0.659 CB 1.537 83 residues pruned to eliminate duplicates Z: 8 8.461 1.869 0.594 0.599 0.857 0.714 CB 1.139 6 residues pruned to eliminate duplicates Z: 29 23.808 1.933 0.556 0.617 0.929 0.679 CB 1.443 29 residues pruned to eliminate duplicates Z: 6 2.718 1.704 -0.332 0.647 0.800 0.600 O 1.163 6 residues pruned to eliminate duplicates Z: 6 9.508 1.895 0.546 0.812 0.800 0.800 CA 1.383 6 residues pruned to eliminate duplicates Z: 8 4.043 1.566 0.201 0.533 1.000 0.429 CB 0.787 6 residues pruned to eliminate duplicates Z: 11 21.447 2.070 0.870 0.868 1.000 0.500 CB 1.281 11 residues pruned to eliminate duplicates Z: 9 11.355 1.902 0.391 0.835 1.000 0.750 CA 1.137 9 residues pruned to eliminate duplicates Z: 13 13.090 1.703 0.616 0.812 0.917 0.750 CB 1.142 13 residues pruned to eliminate duplicates Z: 6 10.252 1.786 0.594 0.846 1.000 0.800 CB 1.197 Z: 10 13.367 1.710 0.497 0.786 1.000 0.556 CA 1.354 10 residues pruned to eliminate duplicates Z: 10 13.197 1.783 0.608 0.881 1.000 1.000 CB 1.111 10 residues pruned to eliminate duplicates Z: 15 22.816 2.020 0.905 0.801 0.929 0.571 CB 1.311 14 residues pruned to eliminate duplicates Z: 56 33.278 1.985 0.690 0.567 0.964 0.564 CB 1.300 56 residues pruned to eliminate duplicates Z: 26 24.445 2.150 0.552 0.501 0.920 0.520 CB 1.591 26 residues pruned to eliminate duplicates Z: 12 19.048 1.965 0.724 0.916 1.000 0.909 CB 1.198 12 residues pruned to eliminate duplicates Z: 12 8.523 1.878 0.243 0.482 0.909 0.455 CB 1.233 14 residues pruned to eliminate duplicates 6 1.602 1.381 0.512 0.406 0.800 0.600 CB 0.473 ? Z: 28 24.901 2.015 0.563 0.648 0.926 0.556 CB 1.432 28 residues pruned to eliminate duplicates Z: 22 14.222 1.803 0.612 0.539 0.952 0.619 CB 1.080 22 residues pruned to eliminate duplicates Z: 28 15.960 1.751 0.526 0.610 0.852 0.630 CB 1.216 21 residues pruned to eliminate duplicates Z: 12 15.843 1.941 0.213 0.905 1.000 0.818 CB 1.444 12 residues pruned to eliminate duplicates Z: 14 7.868 1.534 0.469 0.634 0.769 0.462 CB 1.110 Z: 22 20.500 1.802 0.436 0.924 1.000 0.952 CB 1.214 22 residues pruned to eliminate duplicates Z: 7 13.618 2.156 0.496 0.882 0.833 0.833 CA 1.496 7 residues pruned to eliminate duplicates Z: 6 15.456 2.009 0.866 0.861 1.000 0.600 CA 1.355 6 residues pruned to eliminate duplicates Z: 16 13.645 2.110 0.764 0.328 0.867 0.600 CB 1.318 16 residues pruned to eliminate duplicates Z: 11 14.222 1.933 0.713 0.713 0.900 0.400 CA 1.244 9 residues pruned to eliminate duplicates Z: 20 14.856 1.606 0.592 0.860 0.895 0.579 CB 1.096 19 residues pruned to eliminate duplicates Z: 25 37.502 2.116 1.077 0.824 0.917 0.625 CB 1.435 25 residues pruned to eliminate duplicates Z: 7 2.390 1.518 0.018 0.349 0.667 0.333 CB 1.114 7 1.640 1.458 0.182 0.233 0.500 0.167 C 1.060 ? Z: 13 14.609 1.928 0.466 0.869 0.917 0.417 CB 1.189 13 residues pruned to eliminate duplicates Z: 15 14.319 1.693 0.494 0.820 0.929 0.786 CB 1.234 15 residues pruned to eliminate duplicates Z: 36 24.095 2.157 0.520 0.527 0.800 0.514 CB 1.511 36 residues pruned to eliminate duplicates Z: 27 22.335 1.882 0.746 0.621 0.846 0.615 CB 1.405 18 residues pruned to eliminate duplicates Z: 21 27.411 2.047 0.645 0.716 0.950 0.800 CB 1.575 21 residues pruned to eliminate duplicates Z: 18 19.679 1.927 0.290 0.906 1.000 0.882 CA 1.366 18 residues pruned to eliminate duplicates Z: 6 6.049 1.773 -0.041 0.610 1.000 0.600 N 1.433 Z: 12 17.436 1.735 0.682 0.912 1.000 0.636 N 1.276 12 residues pruned to eliminate duplicates Z: 18 23.585 1.863 0.652 0.871 1.000 0.706 CA 1.355 17 residues pruned to eliminate duplicates Z: 26 28.381 2.085 0.591 0.677 0.920 0.840 CB 1.581 26 residues pruned to eliminate duplicates Z: 13 13.766 1.769 0.283 0.944 1.000 0.833 CB 1.213 13 residues pruned to eliminate duplicates Z: 28 30.874 2.061 0.643 0.635 1.000 0.741 CB 1.546 27 residues pruned to eliminate duplicates Z: 29 24.521 1.954 0.491 0.615 0.893 0.679 CB 1.598 29 residues pruned to eliminate duplicates Z: 7 3.891 1.501 0.351 0.407 0.833 0.500 CB 1.037 Z: 7 8.680 1.861 0.338 0.522 1.000 0.667 CA 1.392 Z: 10 16.807 1.812 0.577 0.856 1.000 1.000 CB 1.446 10 residues pruned to eliminate duplicates Z: 29 43.190 2.166 1.170 0.662 0.964 0.786 CB 1.550 29 residues pruned to eliminate duplicates Z: 27 32.261 2.064 0.626 0.661 1.000 0.654 CB 1.624 27 residues pruned to eliminate duplicates Z: 6 5.715 1.698 0.615 0.469 0.800 0.600 CB 1.202 Z: 40 22.809 2.094 0.606 0.548 0.769 0.513 CB 1.347 40 residues pruned to eliminate duplicates Z: 7 3.034 1.273 0.645 0.622 0.833 0.333 CA 0.632 Z: 11 10.383 1.752 0.405 0.822 0.900 0.300 CB 1.121 12 residues pruned to eliminate duplicates Z: 11 12.899 1.784 0.498 0.920 1.000 0.700 CB 1.075 11 residues pruned to eliminate duplicates Z: 9 14.215 1.816 0.532 0.874 1.000 0.500 CB 1.314 9 residues pruned to eliminate duplicates Z: 13 22.744 1.826 0.833 0.826 0.917 0.667 CA 1.614 13 residues pruned to eliminate duplicates Z: 8 3.152 1.742 0.046 0.362 0.857 0.571 CB 0.885 7 residues pruned to eliminate duplicates Z: 32 45.749 2.160 0.709 0.939 1.000 0.774 CB 1.547 32 residues pruned to eliminate duplicates Z: 46 23.832 1.929 0.562 0.526 0.844 0.467 CB 1.362 46 residues pruned to eliminate duplicates Z: 14 10.493 1.978 0.420 0.532 0.846 0.615 CB 1.187 15 residues pruned to eliminate duplicates Z: 13 9.172 1.657 0.474 0.869 0.917 0.750 CB 0.864 12 residues pruned to eliminate duplicates Z: 13 28.465 2.064 0.905 0.900 1.000 0.833 CB 1.492 13 residues pruned to eliminate duplicates Z: 8 25.899 2.100 0.902 0.860 1.000 0.714 CA 1.803 8 residues pruned to eliminate duplicates Z: 8 10.106 1.986 0.530 0.576 0.857 0.714 CB 1.363 8 residues pruned to eliminate duplicates Z: 8 14.912 1.947 0.694 0.674 1.000 0.857 CB 1.456 8 residues pruned to eliminate duplicates Z: 10 15.888 2.091 0.214 0.896 1.000 1.000 CB 1.494 10 residues pruned to eliminate duplicates Z: 16 22.858 2.060 0.435 0.920 0.933 0.933 CA 1.506 16 residues pruned to eliminate duplicates Z: 49 24.489 2.083 0.641 0.465 0.833 0.458 CB 1.287 49 residues pruned to eliminate duplicates Z: 9 8.720 1.624 0.556 0.470 1.000 0.875 CB 1.258 Z: 13 29.206 2.105 0.770 0.895 1.000 0.917 CB 1.621 13 residues pruned to eliminate duplicates Z: 21 7.329 1.488 0.471 0.483 0.700 0.350 CB 1.088 14 residues pruned to eliminate duplicates Z: 7 6.086 1.525 0.192 0.737 0.833 0.500 CB 1.327 Z: 11 22.487 2.166 0.762 0.846 0.900 0.600 CB 1.538 11 residues pruned to eliminate duplicates Z: 6 2.583 1.487 0.227 0.536 0.600 0.400 O 1.018 Z: 9 9.641 1.903 0.381 0.624 0.875 0.500 CB 1.319 9 residues pruned to eliminate duplicates Z: 17 27.947 1.949 0.592 0.919 1.000 0.750 CB 1.586 17 residues pruned to eliminate duplicates Z: 16 7.760 1.656 0.178 0.434 0.867 0.533 CB 1.269 16 residues pruned to eliminate duplicates Z: 14 5.327 1.703 0.400 0.338 0.923 0.538 CB 0.801 Z: 12 15.486 1.693 0.652 0.916 1.000 0.545 CB 1.179 12 residues pruned to eliminate duplicates Z: 6 6.310 1.890 0.136 0.631 1.000 0.600 CA 1.162 6 residues pruned to eliminate duplicates Z: 11 10.894 1.913 0.554 0.835 0.800 0.400 CB 1.084 11 residues pruned to eliminate duplicates Z: 7 7.012 1.619 0.789 0.654 0.833 0.333 CB 1.028 7 residues pruned to eliminate duplicates Z: 17 19.879 2.091 0.584 0.538 0.938 0.688 CB 1.542 17 residues pruned to eliminate duplicates Z: 56 25.945 1.911 0.483 0.603 0.891 0.545 CB 1.256 57 residues pruned to eliminate duplicates Z: 9 9.705 1.828 0.960 0.311 1.000 0.500 CB 1.180 11 residues pruned to eliminate duplicates Z: 9 12.054 1.934 0.015 0.870 1.000 0.875 CB 1.585 9 residues pruned to eliminate duplicates Z: 57 33.438 1.923 0.622 0.670 0.911 0.536 CB 1.344 54 residues pruned to eliminate duplicates Z: 10 8.247 1.732 0.287 0.550 1.000 0.778 CB 1.175 Z: 15 16.609 1.741 0.589 0.896 0.929 0.857 CB 1.238 14 residues pruned to eliminate duplicates Z: 7 4.266 1.483 0.301 0.521 0.833 0.667 CB 1.061 7 residues pruned to eliminate duplicates Z: 33 19.248 1.955 0.617 0.496 0.875 0.344 CB 1.235 33 residues pruned to eliminate duplicates Z: 43 49.464 2.253 0.831 0.756 0.905 0.762 CB 1.628 43 residues pruned to eliminate duplicates Z: 9 11.671 1.648 0.466 0.764 1.000 0.750 CB 1.351 9 residues pruned to eliminate duplicates Z: 22 16.610 1.902 0.625 0.602 0.857 0.619 CB 1.241 22 residues pruned to eliminate duplicates Z: 12 16.428 1.724 0.555 0.936 1.000 0.909 CB 1.286 12 residues pruned to eliminate duplicates Z: 11 4.389 1.683 0.412 0.265 0.700 0.200 CB 1.090 Z: 23 25.854 2.196 0.772 0.582 0.909 0.636 CB 1.441 23 residues pruned to eliminate duplicates Z: 6 4.634 1.623 0.481 0.441 0.800 0.600 CB 1.145 6 residues pruned to eliminate duplicates Z: 15 9.081 1.822 0.238 0.490 0.929 0.643 CB 1.170 15 residues pruned to eliminate duplicates Z: 23 23.372 1.826 0.617 0.742 0.909 0.818 CA 1.495 23 residues pruned to eliminate duplicates Z: 13 7.341 1.434 0.527 0.638 0.833 0.583 CB 1.020 16 residues pruned to eliminate duplicates Z: 19 18.030 1.847 0.535 0.886 0.944 0.500 CB 1.145 19 residues pruned to eliminate duplicates Z: 8 20.380 2.257 0.819 0.901 1.000 0.429 CB 1.339 8 residues pruned to eliminate duplicates Z: 8 6.194 1.373 0.208 0.711 1.000 0.429 CB 1.165 7 residues pruned to eliminate duplicates 6 1.620 1.181 0.596 0.299 0.600 0.400 C 0.801 ? Z: 12 14.313 1.879 0.252 0.899 1.000 0.818 CB 1.311 12 residues pruned to eliminate duplicates Z: 22 14.504 2.039 0.480 0.374 0.905 0.524 CB 1.325 22 residues pruned to eliminate duplicates Z: 9 12.743 1.791 0.803 0.725 0.875 0.625 CB 1.301 9 residues pruned to eliminate duplicates Z: 18 28.468 1.881 0.832 0.919 1.000 0.706 CB 1.412 19 residues pruned to eliminate duplicates Z: 12 7.663 1.611 0.212 0.506 0.909 0.636 CB 1.295 11 residues pruned to eliminate duplicates Z: 15 20.556 1.774 0.665 0.908 0.929 0.929 CB 1.423 15 residues pruned to eliminate duplicates Z: 10 18.201 1.928 0.686 0.903 1.000 0.778 CB 1.330 9 residues pruned to eliminate duplicates Z: 14 20.452 1.714 0.791 0.898 1.000 0.692 CB 1.322 14 residues pruned to eliminate duplicates Z: 13 21.605 1.942 0.599 0.904 1.000 0.917 CA 1.431 13 residues pruned to eliminate duplicates Z: 9 13.912 1.855 0.432 0.884 1.000 0.625 CB 1.338 9 residues pruned to eliminate duplicates Z: 11 8.763 1.960 0.295 0.423 0.900 0.600 CB 1.313 11 residues pruned to eliminate duplicates Z: 12 9.429 1.817 0.688 0.423 0.909 0.636 CB 1.105 12 residues pruned to eliminate duplicates Z: 37 19.728 2.019 0.464 0.438 0.944 0.472 CB 1.257 37 residues pruned to eliminate duplicates Z: 30 25.265 2.029 0.610 0.596 0.931 0.621 CB 1.408 30 residues pruned to eliminate duplicates Z: 7 5.285 1.738 0.612 0.249 0.833 0.500 CB 1.234 Z: 11 12.060 1.693 0.578 0.831 1.000 0.600 CB 1.072 11 residues pruned to eliminate duplicates 6 1.539 1.689 0.228 0.100 0.600 0.400 CB 0.921 ? Z: 14 13.644 1.755 0.108 0.933 1.000 0.923 CB 1.358 14 residues pruned to eliminate duplicates Z: 12 14.456 1.750 0.670 0.825 1.000 0.818 CB 1.125 12 residues pruned to eliminate duplicates Z: 24 22.601 1.875 0.366 0.896 0.957 0.870 CB 1.378 24 residues pruned to eliminate duplicates Z: 21 26.111 1.927 0.587 0.924 0.950 0.750 CB 1.412 22 residues pruned to eliminate duplicates Z: 86 67.634 2.278 0.841 0.592 0.965 0.647 CB 1.660 86 residues pruned to eliminate duplicates Z: 12 12.653 1.808 0.150 0.855 0.909 0.818 CB 1.489 12 residues pruned to eliminate duplicates Z: 70 42.524 2.032 0.756 0.648 0.928 0.522 CB 1.348 72 residues pruned to eliminate duplicates Z: 9 4.085 1.573 0.352 0.324 0.750 0.500 CB 1.098 7 residues pruned to eliminate duplicates Z: 30 18.997 2.090 0.651 0.267 0.862 0.586 CA 1.546 30 residues pruned to eliminate duplicates Z: 61 33.674 2.184 0.669 0.446 0.883 0.450 CB 1.427 61 residues pruned to eliminate duplicates Z: 17 26.135 1.980 0.773 0.878 0.938 0.750 CB 1.441 17 residues pruned to eliminate duplicates Z: 8 6.496 1.685 0.069 0.631 1.000 1.000 O 1.206 7 residues pruned to eliminate duplicates Z: 12 13.983 1.629 0.624 0.871 1.000 0.455 CB 1.163 12 residues pruned to eliminate duplicates Z: 12 15.688 1.813 0.344 0.878 1.000 0.909 CB 1.408 12 residues pruned to eliminate duplicates Z: 9 22.145 1.953 0.860 0.857 1.000 0.500 CB 1.588 9 residues pruned to eliminate duplicates Z: 27 16.330 1.995 0.613 0.377 0.923 0.577 CB 1.230 19 residues pruned to eliminate duplicates Z: 6 8.934 1.698 0.677 0.552 1.000 0.600 CA 1.334 6 residues pruned to eliminate duplicates Z: 19 12.479 1.607 0.437 0.803 0.889 0.611 CB 1.100 19 residues pruned to eliminate duplicates Z: 9 15.846 2.053 0.629 0.617 1.000 0.750 CB 1.500 9 residues pruned to eliminate duplicates Z: 19 24.698 2.201 0.991 0.459 0.889 0.556 CB 1.558 23 residues pruned to eliminate duplicates Z: 16 16.217 1.684 0.485 0.884 1.000 0.533 CB 1.210 15 residues pruned to eliminate duplicates Z: 25 19.132 2.061 0.703 0.375 0.875 0.500 CB 1.453 25 residues pruned to eliminate duplicates Z: 7 10.272 1.667 0.874 0.586 1.000 1.000 N 1.236 Z: 17 11.022 1.973 0.537 0.420 0.875 0.688 CB 1.129 17 residues pruned to eliminate duplicates Z: 13 11.237 1.910 0.259 0.575 0.833 0.750 CB 1.505 13 residues pruned to eliminate duplicates Z: 19 9.822 1.820 0.363 0.394 0.889 0.667 CB 1.174 19 residues pruned to eliminate duplicates Z: 18 20.106 1.871 0.403 0.872 0.882 0.529 CB 1.535 18 residues pruned to eliminate duplicates Z: 36 17.347 1.916 0.371 0.524 0.943 0.743 CB 1.156 36 residues pruned to eliminate duplicates Z: 14 9.300 1.532 0.487 0.548 0.846 0.385 N 1.277 14 residues pruned to eliminate duplicates Z: 9 3.129 1.480 0.444 0.253 0.625 0.500 O 1.099 Z: 27 23.892 1.930 0.452 0.674 1.000 0.731 CB 1.425 27 residues pruned to eliminate duplicates Z: 11 15.583 2.020 0.307 0.862 1.000 0.700 CA 1.370 11 residues pruned to eliminate duplicates Z: 7 8.274 1.935 0.470 0.680 1.000 1.000 CB 1.007 7 residues pruned to eliminate duplicates Z: 14 16.866 1.735 0.532 0.919 1.000 0.846 CB 1.241 14 residues pruned to eliminate duplicates Z: 13 7.861 1.710 0.584 0.297 0.833 0.500 CB 1.261 13 residues pruned to eliminate duplicates Z: 16 26.938 2.063 0.563 0.881 1.000 0.733 CA 1.562 16 residues pruned to eliminate duplicates Z: 8 11.170 2.154 0.669 0.465 0.714 0.000 CB 1.704 8 residues pruned to eliminate duplicates Z: 8 2.945 1.680 0.428 0.172 0.714 0.429 CB 0.967 8 residues pruned to eliminate duplicates Z: 13 17.130 2.007 0.200 0.946 1.000 0.917 CA 1.420 13 residues pruned to eliminate duplicates Z: 15 17.023 2.009 0.730 0.762 0.857 0.643 CB 1.211 15 residues pruned to eliminate duplicates Z: 27 51.126 2.106 1.044 0.948 1.000 0.577 CB 1.609 27 residues pruned to eliminate duplicates Z: 23 42.316 2.064 0.940 0.945 1.000 0.682 CB 1.559 23 residues pruned to eliminate duplicates Z: 10 5.536 1.828 0.333 0.401 0.778 0.556 CB 1.082 6 residues pruned to eliminate duplicates Z: 9 9.828 1.409 0.651 0.799 1.000 0.500 CB 1.150 9 residues pruned to eliminate duplicates Z: 16 20.878 1.883 0.563 0.826 1.000 0.933 CA 1.382 16 residues pruned to eliminate duplicates Z: 8 3.925 1.575 0.069 0.466 0.714 0.714 CB 1.277 8 residues pruned to eliminate duplicates Z: 22 16.588 1.855 0.242 0.700 0.905 0.667 CB 1.446 22 residues pruned to eliminate duplicates Z: 14 5.260 1.624 0.304 0.274 0.769 0.385 CB 1.158 15 residues pruned to eliminate duplicates Z: 8 6.884 1.592 0.111 0.902 1.000 1.000 CB 1.049 Z: 10 11.408 1.780 0.701 0.868 0.778 0.667 CB 1.180 10 residues pruned to eliminate duplicates Z: 29 20.061 1.960 0.474 0.575 0.929 0.607 CB 1.315 29 residues pruned to eliminate duplicates Z: 44 27.860 1.984 0.538 0.587 0.930 0.674 CB 1.377 45 residues pruned to eliminate duplicates Z: 14 8.658 1.756 0.475 0.386 0.769 0.538 CB 1.360 15 residues pruned to eliminate duplicates Z: 11 7.686 1.778 0.121 0.503 1.000 0.600 CB 1.216 11 residues pruned to eliminate duplicates Z: 23 19.840 1.957 0.406 0.653 0.955 0.591 CB 1.397 23 residues pruned to eliminate duplicates Z: 16 30.170 2.038 0.918 0.865 0.933 0.600 CA 1.565 16 residues pruned to eliminate duplicates Z: 13 28.375 2.009 1.065 0.913 0.917 0.333 CA 1.524 14 residues pruned to eliminate duplicates Z: 9 17.774 1.913 0.654 0.914 1.000 0.875 CB 1.405 9 residues pruned to eliminate duplicates Z: 24 20.896 2.171 0.681 0.355 0.913 0.478 CA 1.529 24 residues pruned to eliminate duplicates Z: 7 2.479 1.312 0.130 0.248 0.833 0.333 C 1.096 7 residues pruned to eliminate duplicates Z: 11 7.173 1.613 0.547 0.325 0.800 0.400 C 1.378 11 residues pruned to eliminate duplicates Z: 23 16.764 2.013 0.477 0.401 0.955 0.545 CA 1.398 23 residues pruned to eliminate duplicates Z: 47 28.231 1.954 0.820 0.518 0.935 0.457 CB 1.229 47 residues pruned to eliminate duplicates Z: 11 12.884 1.804 0.234 0.898 1.000 1.000 CB 1.309 11 residues pruned to eliminate duplicates Z: 26 23.775 1.995 0.660 0.635 0.840 0.560 CB 1.506 26 residues pruned to eliminate duplicates Z: 17 18.678 1.883 0.278 0.895 1.000 0.938 CA 1.391 17 residues pruned to eliminate duplicates Z: 10 9.940 1.670 0.565 0.502 1.000 0.889 CB 1.266 10 residues pruned to eliminate duplicates Z: 16 7.770 1.709 0.182 0.372 0.867 0.533 CB 1.314 15 residues pruned to eliminate duplicates Z: 10 24.011 1.954 1.128 0.883 0.889 0.667 CB 1.566 9 residues pruned to eliminate duplicates Z: 15 14.295 1.665 0.511 0.894 0.929 0.929 CB 1.173 15 residues pruned to eliminate duplicates Z: 11 16.995 1.804 0.857 0.866 1.000 0.600 CB 1.174 11 residues pruned to eliminate duplicates Z: 20 19.552 1.718 0.611 0.892 0.947 0.684 CB 1.229 21 residues pruned to eliminate duplicates Z: 23 20.007 1.842 0.653 0.564 0.955 0.409 CA 1.379 19 residues pruned to eliminate duplicates Z: 6 2.391 1.466 0.401 0.469 0.800 0.200 CB 0.672 Z: 16 20.220 1.936 0.683 0.788 0.933 0.733 CB 1.333 16 residues pruned to eliminate duplicates Z: 8 5.672 1.512 0.600 0.569 0.714 0.571 N 1.160 8 residues pruned to eliminate duplicates Z: 7 3.108 1.322 0.586 0.341 0.833 0.667 N 0.863 Z: 13 17.008 1.835 0.292 0.892 1.000 0.750 CA 1.488 13 residues pruned to eliminate duplicates Z: 15 13.963 1.772 0.186 0.868 1.000 1.000 CB 1.298 15 residues pruned to eliminate duplicates Z: 9 5.777 1.667 0.400 0.808 0.875 0.750 CB 0.765 9 residues pruned to eliminate duplicates Z: 6 6.242 1.810 0.248 0.499 0.800 0.400 CB 1.547 6 residues pruned to eliminate duplicates Z: 7 6.538 1.964 0.688 0.540 0.833 0.667 CB 0.930 7 residues pruned to eliminate duplicates Z: 31 53.999 2.208 1.054 0.946 1.000 0.533 CB 1.503 31 residues pruned to eliminate duplicates Z: 22 15.518 1.951 0.763 0.294 0.905 0.571 CB 1.371 22 residues pruned to eliminate duplicates Z: 9 3.399 1.535 0.472 0.361 0.750 0.500 CB 0.824 Z: 31 54.865 2.251 0.885 0.929 1.000 0.933 CA 1.653 31 residues pruned to eliminate duplicates Z: 57 37.351 2.230 0.830 0.443 0.839 0.429 CB 1.545 57 residues pruned to eliminate duplicates Z: 7 12.758 2.052 0.473 0.744 0.833 0.667 CB 1.662 7 residues pruned to eliminate duplicates Z: 15 17.858 1.716 0.679 0.860 0.929 0.786 CB 1.312 12 residues pruned to eliminate duplicates Z: 6 3.454 1.883 0.255 0.288 0.800 0.400 CB 1.036 Z: 16 15.012 1.732 0.732 0.912 0.933 0.800 CB 0.981 16 residues pruned to eliminate duplicates Z: 23 19.836 1.817 0.743 0.802 0.864 0.409 CB 1.188 23 residues pruned to eliminate duplicates Z: 21 26.206 2.043 0.299 0.932 1.000 1.000 CB 1.542 21 residues pruned to eliminate duplicates Z: 9 3.242 1.674 0.674 0.392 0.500 0.250 CB 0.918 9 residues pruned to eliminate duplicates Z: 16 8.910 1.746 0.697 0.309 0.800 0.533 CB 1.199 16 residues pruned to eliminate duplicates Z: 47 41.394 2.088 0.551 0.772 0.957 0.848 CA 1.548 47 residues pruned to eliminate duplicates Z: 13 4.117 1.795 0.473 0.354 0.667 0.583 CB 0.789 13 residues pruned to eliminate duplicates Z: 11 3.224 1.578 0.564 0.211 0.600 0.400 CB 0.968 Z: 8 2.405 1.585 0.051 0.306 0.714 0.429 CB 0.949 Z: 11 12.487 1.781 0.201 0.891 1.000 0.800 CB 1.327 11 residues pruned to eliminate duplicates Z: 12 4.192 1.431 0.602 0.452 0.727 0.455 CB 0.796 Z: 46 26.646 2.142 0.609 0.408 0.844 0.511 CB 1.503 46 residues pruned to eliminate duplicates Z: 20 33.265 2.054 0.818 0.862 0.895 0.579 CB 1.676 20 residues pruned to eliminate duplicates Z: 16 5.208 1.657 0.416 0.416 0.800 0.400 CB 0.782 8 residues pruned to eliminate duplicates Z: 23 18.491 1.875 0.711 0.448 0.955 0.591 CB 1.358 23 residues pruned to eliminate duplicates Z: 22 22.835 1.809 0.497 0.944 0.952 0.952 CA 1.338 22 residues pruned to eliminate duplicates Z: 16 13.141 1.635 0.388 0.839 1.000 0.667 CB 1.116 16 residues pruned to eliminate duplicates Z: 11 12.517 1.604 0.710 0.861 0.900 0.700 CB 1.178 11 residues pruned to eliminate duplicates Z: 10 10.431 1.692 0.381 0.828 0.889 0.667 CA 1.260 10 residues pruned to eliminate duplicates Z: 14 9.857 1.923 0.653 0.554 0.692 0.538 CB 1.179 14 residues pruned to eliminate duplicates Z: 8 18.279 2.030 0.652 0.887 1.000 0.571 CB 1.486 8 residues pruned to eliminate duplicates Z: 14 12.667 1.728 0.228 0.902 0.923 0.846 CB 1.280 14 residues pruned to eliminate duplicates Z: 7 13.354 1.876 0.632 0.764 1.000 0.667 CA 1.409 7 residues pruned to eliminate duplicates Z: 21 12.590 1.607 0.700 0.836 0.800 0.450 CB 0.964 21 residues pruned to eliminate duplicates Z: 7 6.387 1.725 0.487 0.481 1.000 0.667 CB 1.036 7 residues pruned to eliminate duplicates Z: 14 13.604 1.795 0.380 0.886 1.000 0.692 CB 1.100 14 residues pruned to eliminate duplicates Z: 12 4.604 1.670 0.130 0.199 0.818 0.364 CB 1.286 12 residues pruned to eliminate duplicates Z: 13 13.816 1.769 0.395 0.920 1.000 0.750 CB 1.138 13 residues pruned to eliminate duplicates Z: 37 19.912 2.042 0.606 0.311 0.889 0.472 CB 1.404 37 residues pruned to eliminate duplicates Z: 10 3.943 1.753 0.543 0.395 0.556 0.222 CB 0.977 10 residues pruned to eliminate duplicates Z: 9 15.985 2.019 0.561 0.731 0.875 0.500 CB 1.665 9 residues pruned to eliminate duplicates Z: 41 35.690 2.220 0.751 0.497 0.925 0.550 CB 1.573 41 residues pruned to eliminate duplicates Z: 25 13.947 1.959 0.502 0.409 0.833 0.458 CB 1.277 25 residues pruned to eliminate duplicates Z: 23 21.492 1.804 0.323 0.939 1.000 0.727 CB 1.335 23 residues pruned to eliminate duplicates Z: 30 23.259 1.927 0.806 0.627 0.862 0.517 CB 1.278 30 residues pruned to eliminate duplicates Z: 13 20.175 1.981 0.439 0.845 1.000 0.667 CA 1.519 13 residues pruned to eliminate duplicates Z: 6 3.868 1.503 0.296 0.397 1.000 0.400 CA 0.990 6 residues pruned to eliminate duplicates Z: 12 9.988 1.437 0.378 0.863 1.000 0.818 CB 1.116 9 residues pruned to eliminate duplicates Z: 14 10.960 1.416 0.465 0.824 0.923 0.692 CB 1.199 12 residues pruned to eliminate duplicates Z: 6 11.217 2.019 0.652 0.851 1.000 0.800 CA 1.113 6 residues pruned to eliminate duplicates Z: 8 4.966 1.535 0.419 0.616 0.857 0.286 CA 0.901 8 residues pruned to eliminate duplicates Z: 22 15.855 1.972 0.624 0.519 0.905 0.524 CB 1.172 22 residues pruned to eliminate duplicates Z: 13 15.364 1.781 0.439 0.897 1.000 0.917 CB 1.239 13 residues pruned to eliminate duplicates Z: 9 4.274 1.361 0.517 0.332 0.875 0.625 O 1.006 Z: 17 8.343 1.711 0.634 0.363 0.750 0.625 CB 1.153 Z: 15 13.740 1.669 0.570 0.824 0.929 0.929 CB 1.140 15 residues pruned to eliminate duplicates Z: 22 22.433 1.783 0.701 0.891 1.000 0.619 CB 1.161 22 residues pruned to eliminate duplicates Z: 9 8.641 1.691 0.673 0.536 0.875 0.625 N 1.191 11 residues pruned to eliminate duplicates Z: 14 6.634 1.542 0.376 0.343 0.846 0.308 CB 1.216 Z: 38 32.259 2.021 0.840 0.575 0.973 0.541 CB 1.364 38 residues pruned to eliminate duplicates Z: 6 2.036 1.810 0.222 0.532 1.000 0.800 CB 0.399 6 residues pruned to eliminate duplicates Z: 13 20.841 1.760 0.697 0.941 1.000 0.750 CA 1.398 13 residues pruned to eliminate duplicates Z: 18 16.599 1.700 0.577 0.902 0.941 0.647 CB 1.137 18 residues pruned to eliminate duplicates Z: 30 37.857 2.079 0.897 0.776 0.931 0.379 CB 1.500 30 residues pruned to eliminate duplicates Z: 15 22.933 1.890 0.632 0.913 0.929 0.643 CB 1.515 15 residues pruned to eliminate duplicates Z: 15 10.949 1.678 0.471 0.511 0.929 0.643 CB 1.263 15 residues pruned to eliminate duplicates Z: 9 10.266 1.658 0.814 0.759 0.875 0.625 CA 1.095 8 residues pruned to eliminate duplicates Z: 11 16.682 1.819 0.841 0.876 1.000 0.700 CA 1.145 11 residues pruned to eliminate duplicates Z: 34 21.670 1.983 0.341 0.654 0.879 0.727 CB 1.398 31 residues pruned to eliminate duplicates Z: 7 9.159 1.739 0.682 0.853 0.833 0.667 CB 1.133 7 residues pruned to eliminate duplicates Z: 12 11.189 1.859 -0.070 0.930 1.000 1.000 CB 1.365 12 residues pruned to eliminate duplicates Z: 19 18.885 1.709 0.588 0.941 0.944 0.944 CB 1.206 19 residues pruned to eliminate duplicates 6 1.497 1.530 0.132 0.278 0.600 0.400 CB 0.828 ? Z: 6 6.969 1.934 0.080 0.762 1.000 0.600 CB 1.183 6 residues pruned to eliminate duplicates Z: 12 17.206 1.756 0.711 0.902 0.909 0.909 CA 1.355 12 residues pruned to eliminate duplicates Z: 7 8.141 1.867 0.220 0.683 1.000 0.833 CA 1.233 7 residues pruned to eliminate duplicates Z: 31 26.798 2.132 0.758 0.515 0.933 0.500 CB 1.378 27 residues pruned to eliminate duplicates Z: 9 15.257 2.017 0.600 0.790 0.875 0.500 CB 1.481 9 residues pruned to eliminate duplicates Z: 16 18.655 1.881 0.237 0.867 1.000 0.933 CA 1.515 16 residues pruned to eliminate duplicates Z: 9 10.351 1.535 0.594 0.791 1.000 0.625 O 1.159 9 residues pruned to eliminate duplicates Z: 16 13.143 1.753 0.351 0.879 0.933 0.667 CB 1.114 16 residues pruned to eliminate duplicates Z: 46 28.648 1.998 0.735 0.528 0.911 0.578 CB 1.315 46 residues pruned to eliminate duplicates Z: 10 7.304 1.766 0.310 0.743 0.778 0.667 CB 1.089 10 residues pruned to eliminate duplicates Z: 61 56.271 2.132 0.928 0.728 0.917 0.650 CA 1.570 61 residues pruned to eliminate duplicates Z: 6 4.356 1.465 0.325 0.537 1.000 0.600 CB 0.968 Z: 11 3.606 1.659 0.004 0.429 0.700 0.300 CB 1.053 11 residues pruned to eliminate duplicates Z: 7 6.049 1.813 0.145 0.445 0.833 0.500 CB 1.510 7 residues pruned to eliminate duplicates Z: 30 30.359 2.051 0.977 0.513 0.897 0.517 CB 1.531 30 residues pruned to eliminate duplicates Z: 7 7.805 1.956 0.250 0.698 1.000 0.833 CB 1.088 7 residues pruned to eliminate duplicates Z: 8 7.647 1.352 0.318 0.887 1.000 1.000 C 1.170 9 residues pruned to eliminate duplicates Z: 6 5.146 1.508 0.283 0.873 1.000 1.000 CB 0.867 6 residues pruned to eliminate duplicates Z: 6 3.625 1.322 0.259 0.581 1.000 0.800 N 0.900 6 0.636 1.414 0.506 0.271 0.800 0.400 CB 0.216 ? Z: 28 21.052 1.992 0.421 0.656 0.889 0.667 CB 1.394 28 residues pruned to eliminate duplicates Z: 16 14.990 1.723 0.424 0.904 1.000 0.733 CB 1.124 17 residues pruned to eliminate duplicates Z: 12 14.274 1.642 0.671 0.882 1.000 0.636 CB 1.135 12 residues pruned to eliminate duplicates Z: 20 20.420 1.720 0.900 0.919 0.895 0.579 CB 1.129 20 residues pruned to eliminate duplicates Z: 47 31.510 2.170 0.614 0.511 0.891 0.500 CB 1.473 47 residues pruned to eliminate duplicates Z: 12 17.886 1.724 0.822 0.928 1.000 0.727 CB 1.202 12 residues pruned to eliminate duplicates Z: 10 11.017 1.764 0.769 0.619 0.889 0.778 CB 1.183 14 residues pruned to eliminate duplicates Z: 27 20.537 1.795 0.777 0.634 0.846 0.577 CB 1.316 27 residues pruned to eliminate duplicates Z: 17 26.025 1.986 0.722 0.875 0.938 0.875 CB 1.476 17 residues pruned to eliminate duplicates Z: 8 6.650 1.729 0.321 0.490 1.000 0.714 CB 1.112 Z: 10 8.245 1.494 0.115 0.917 1.000 0.556 CB 1.164 10 residues pruned to eliminate duplicates Z: 8 7.375 1.620 0.158 0.868 1.000 0.857 CB 1.085 8 residues pruned to eliminate duplicates Z: 14 12.076 1.690 0.151 0.911 1.000 0.846 CB 1.220 14 residues pruned to eliminate duplicates Z: 21 18.704 1.610 0.846 0.887 0.950 0.700 CB 1.067 21 residues pruned to eliminate duplicates Z: 16 14.826 1.903 0.518 0.578 0.867 0.467 CB 1.418 16 residues pruned to eliminate duplicates Z: 30 51.734 2.160 1.199 0.909 0.966 0.517 CB 1.486 30 residues pruned to eliminate duplicates Z: 12 17.409 2.001 0.256 0.900 1.000 1.000 CA 1.492 12 residues pruned to eliminate duplicates Z: 19 13.384 1.937 0.684 0.315 0.833 0.444 CA 1.423 19 residues pruned to eliminate duplicates Z: 28 30.024 1.994 0.767 0.765 0.926 0.519 CB 1.401 28 residues pruned to eliminate duplicates Z: 8 11.024 1.784 0.512 0.871 0.857 0.714 O 1.315 8 residues pruned to eliminate duplicates Z: 7 9.075 1.434 0.503 0.855 1.000 0.667 CA 1.269 8 residues pruned to eliminate duplicates Z: 8 6.940 1.502 0.612 0.653 1.000 0.571 CA 0.939 8 residues pruned to eliminate duplicates Z: 6 12.271 1.925 0.886 0.745 0.800 0.800 CB 1.518 6 residues pruned to eliminate duplicates Z: 10 13.795 1.947 0.289 0.848 1.000 0.667 CA 1.359 10 residues pruned to eliminate duplicates Z: 33 21.423 1.928 0.516 0.559 0.906 0.688 CB 1.350 33 residues pruned to eliminate duplicates Z: 13 23.642 1.992 0.715 0.805 1.000 0.833 CA 1.531 13 residues pruned to eliminate duplicates Z: 43 21.007 1.930 0.472 0.518 0.929 0.643 CB 1.207 43 residues pruned to eliminate duplicates 6 1.445 1.358 0.327 0.239 0.600 0.200 CB 0.810 ? Z: 64 40.990 2.198 0.843 0.450 0.905 0.556 CB 1.484 64 residues pruned to eliminate duplicates Z: 21 23.991 1.913 0.617 0.835 0.950 0.700 CB 1.368 21 residues pruned to eliminate duplicates Z: 9 5.735 1.442 0.404 0.839 0.875 0.500 CB 0.855 8 residues pruned to eliminate duplicates Z: 43 25.375 2.110 0.514 0.421 0.881 0.548 CB 1.510 43 residues pruned to eliminate duplicates Z: 6 4.075 1.617 0.374 0.592 1.000 0.600 CB 0.751 Z: 6 5.014 1.258 0.537 0.725 1.000 0.800 CA 0.947 Z: 11 33.436 2.398 0.824 0.900 1.000 0.600 CB 1.726 11 residues pruned to eliminate duplicates Z: 8 5.058 1.519 0.926 0.330 0.857 0.571 CB 0.918 Z: 17 25.573 1.930 0.702 0.866 0.938 0.750 CA 1.520 17 residues pruned to eliminate duplicates Z: 27 25.041 1.860 0.817 0.839 0.846 0.462 CB 1.283 27 residues pruned to eliminate duplicates Z: 11 14.007 1.771 0.647 0.903 0.800 0.400 CB 1.353 11 residues pruned to eliminate duplicates Z: 46 26.201 2.206 0.495 0.430 0.911 0.600 CB 1.397 46 residues pruned to eliminate duplicates Z: 6 6.227 1.659 0.630 0.659 1.000 0.800 CB 0.888 Z: 31 25.094 1.969 0.591 0.638 0.933 0.600 CB 1.377 31 residues pruned to eliminate duplicates Z: 17 11.358 1.672 0.372 0.563 0.938 0.625 CB 1.242 18 residues pruned to eliminate duplicates Z: 26 30.867 2.092 0.620 0.664 0.920 0.720 CA 1.700 26 residues pruned to eliminate duplicates Z: 22 12.389 1.618 0.319 0.657 0.905 0.762 CB 1.210 22 residues pruned to eliminate duplicates Z: 9 15.697 1.847 0.551 0.831 1.000 0.750 CA 1.456 9 residues pruned to eliminate duplicates Z: 16 16.100 1.612 0.854 0.838 0.933 0.333 CB 1.114 16 residues pruned to eliminate duplicates Z: 19 14.598 1.993 0.573 0.423 0.889 0.444 CB 1.338 19 residues pruned to eliminate duplicates Z: 26 13.035 1.678 0.555 0.531 0.800 0.440 CB 1.211 26 residues pruned to eliminate duplicates Z: 6 5.213 1.791 0.202 0.870 1.000 1.000 CB 0.791 Z: 7 9.505 2.033 0.852 0.680 0.833 0.833 CB 1.048 Z: 41 26.089 1.980 0.677 0.568 0.875 0.525 CB 1.329 41 residues pruned to eliminate duplicates Z: 9 15.797 1.831 0.605 0.742 1.000 0.500 CB 1.530 9 residues pruned to eliminate duplicates Z: 8 10.339 2.127 0.515 0.673 1.000 0.571 CB 1.035 8 residues pruned to eliminate duplicates Z: 39 25.830 1.979 0.275 0.724 0.947 0.842 CB 1.433 39 residues pruned to eliminate duplicates Z: 10 2.311 1.206 0.209 0.230 1.000 0.111 N 0.724 Z: 10 4.623 1.651 0.360 0.282 0.889 0.556 CB 0.987 Z: 7 8.447 1.733 0.308 0.864 1.000 1.000 CB 1.115 6 residues pruned to eliminate duplicates Z: 21 14.328 1.913 0.531 0.524 0.800 0.550 CB 1.336 21 residues pruned to eliminate duplicates Z: 31 47.358 2.214 0.907 0.942 0.933 0.467 CB 1.522 31 residues pruned to eliminate duplicates Z: 15 16.733 1.806 0.482 0.904 0.929 0.857 CB 1.282 15 residues pruned to eliminate duplicates Z: 16 29.522 2.028 0.779 0.864 1.000 0.600 CA 1.549 16 residues pruned to eliminate duplicates Z: 25 22.156 1.864 0.667 0.811 0.917 0.583 CB 1.211 26 residues pruned to eliminate duplicates Z: 27 24.166 2.023 0.841 0.580 0.846 0.538 CB 1.393 27 residues pruned to eliminate duplicates Z: 11 7.794 1.724 0.395 0.390 0.900 0.600 CB 1.280 11 residues pruned to eliminate duplicates Z: 14 9.110 1.944 0.554 0.420 0.846 0.846 CB 1.075 14 residues pruned to eliminate duplicates Z: 19 13.646 1.638 0.871 0.826 0.889 0.389 CB 0.890 19 residues pruned to eliminate duplicates Z: 14 19.818 2.045 0.792 0.648 0.846 0.692 CB 1.544 14 residues pruned to eliminate duplicates Z: 42 41.289 2.013 1.084 0.704 0.902 0.463 CB 1.415 42 residues pruned to eliminate duplicates Z: 23 38.745 2.266 1.347 0.620 0.955 0.409 CB 1.453 23 residues pruned to eliminate duplicates Z: 76 55.454 2.245 0.921 0.536 0.893 0.627 CB 1.604 76 residues pruned to eliminate duplicates Z: 7 7.293 1.639 0.570 0.859 0.833 0.500 CB 1.022 8 residues pruned to eliminate duplicates Z: 13 17.098 1.791 0.597 0.901 1.000 0.750 CA 1.232 13 residues pruned to eliminate duplicates Z: 15 15.486 1.911 0.610 0.582 0.857 0.643 CB 1.451 15 residues pruned to eliminate duplicates 6 1.929 1.449 0.072 0.316 0.600 0.400 N 1.134 ? Z: 6 5.709 1.387 0.330 0.771 1.000 1.000 CB 1.089 5 residues pruned to eliminate duplicates Z: 6 7.080 1.774 0.508 0.625 1.000 0.800 CB 1.053 6 residues pruned to eliminate duplicates Z: 26 13.760 1.839 0.689 0.313 0.880 0.520 CA 1.239 26 residues pruned to eliminate duplicates Z: 98 60.368 2.187 0.817 0.567 0.897 0.691 CB 1.612 98 residues pruned to eliminate duplicates Z: 15 25.702 2.060 0.674 0.912 1.000 0.929 CA 1.410 15 residues pruned to eliminate duplicates Z: 7 13.882 2.203 0.669 0.534 0.833 0.333 CB 1.788 7 residues pruned to eliminate duplicates Z: 20 19.449 2.134 0.737 0.482 0.842 0.421 CB 1.455 20 residues pruned to eliminate duplicates Z: 13 10.715 1.818 0.611 0.358 0.917 0.417 CB 1.342 13 residues pruned to eliminate duplicates Z: 13 12.028 1.744 0.339 0.762 1.000 0.667 CB 1.178 13 residues pruned to eliminate duplicates Z: 9 9.328 1.723 0.817 0.883 0.750 0.500 CB 1.015 9 residues pruned to eliminate duplicates Z: 56 55.784 2.273 0.848 0.659 0.945 0.673 CA 1.635 56 residues pruned to eliminate duplicates Z: 16 18.635 1.794 0.473 0.872 1.000 0.867 CB 1.326 16 residues pruned to eliminate duplicates Z: 10 11.354 1.793 0.257 0.836 1.000 0.778 CB 1.257 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 4.396 1.742 0.712 0.445 0.600 0.400 CA 1.163 7 residues pruned to eliminate duplicates Z: 6 2.869 1.476 0.554 0.184 0.800 0.200 CB 1.022 Z: 6 2.469 1.276 -0.030 0.407 1.000 0.600 N 0.983 6 residues pruned to eliminate duplicates Z: 6 4.585 1.759 0.336 0.275 0.800 0.800 N 1.406 6 residues pruned to eliminate duplicates Z: 13 8.307 1.736 0.423 0.471 0.833 0.583 CB 1.200 13 residues pruned to eliminate duplicates Z: 14 10.374 1.715 0.400 0.386 1.000 0.308 CB 1.353 12 residues pruned to eliminate duplicates Z: 13 16.328 1.753 0.851 0.647 0.917 0.750 CA 1.381 13 residues pruned to eliminate duplicates Z: 12 19.194 2.073 0.604 0.488 1.000 0.273 CB 1.761 12 residues pruned to eliminate duplicates Z: 9 20.874 1.969 0.641 0.897 1.000 0.875 CB 1.635 9 residues pruned to eliminate duplicates Z: 29 18.069 1.947 0.525 0.503 0.821 0.536 CB 1.395 29 residues pruned to eliminate duplicates Z: 28 19.008 1.971 0.442 0.473 0.889 0.481 CB 1.489 28 residues pruned to eliminate duplicates Z: 27 17.654 1.984 0.453 0.476 0.846 0.538 CB 1.454 27 residues pruned to eliminate duplicates Z: 28 19.681 1.979 0.508 0.460 0.889 0.556 CB 1.487 28 residues pruned to eliminate duplicates Z: 22 22.098 2.066 0.637 0.496 0.905 0.619 CB 1.582 22 residues pruned to eliminate duplicates Z: 26 22.692 2.002 0.695 0.479 0.880 0.560 CB 1.552 26 residues pruned to eliminate duplicates Z: 28 25.118 2.013 0.694 0.533 0.889 0.556 CB 1.544 28 residues pruned to eliminate duplicates Z: 22 27.292 1.996 0.848 0.477 1.000 0.429 CB 1.652 22 residues pruned to eliminate duplicates Z: 30 19.360 1.923 0.649 0.466 0.828 0.310 CB 1.418 30 residues pruned to eliminate duplicates Z: 29 14.492 1.862 0.471 0.426 0.821 0.429 CB 1.314 29 residues pruned to eliminate duplicates Z: 24 22.887 2.021 0.669 0.488 0.913 0.565 CB 1.568 24 residues pruned to eliminate duplicates Z: 27 22.284 1.958 0.735 0.497 0.846 0.500 CB 1.526 27 residues pruned to eliminate duplicates Z: 23 22.642 1.971 0.744 0.481 0.909 0.591 CB 1.575 23 residues pruned to eliminate duplicates Z: 28 24.057 1.964 0.626 0.509 0.926 0.556 CB 1.551 28 residues pruned to eliminate duplicates Z: 16 11.661 1.751 0.561 0.408 0.933 0.533 CB 1.300 16 residues pruned to eliminate duplicates Z: 29 19.342 1.946 0.649 0.536 0.821 0.500 CB 1.339 29 residues pruned to eliminate duplicates Z: 23 18.256 1.919 0.730 0.486 0.864 0.500 CB 1.377 23 residues pruned to eliminate duplicates Z: 19 10.054 1.694 0.409 0.378 0.889 0.556 CB 1.272 19 residues pruned to eliminate duplicates Z: 6 4.660 1.716 0.186 0.648 1.000 0.400 CB 0.892 6 residues pruned to eliminate duplicates Z: 29 18.880 1.878 0.564 0.562 0.857 0.607 CB 1.335 29 residues pruned to eliminate duplicates Z: 11 3.796 1.344 0.184 0.602 0.800 0.400 CB 0.856 9 residues pruned to eliminate duplicates Z: 8 3.044 1.316 -0.068 0.687 0.857 0.143 CB 0.922 8 residues pruned to eliminate duplicates Z: 6 4.966 1.551 0.087 0.783 0.800 0.200 CA 1.284 6 residues pruned to eliminate duplicates Z: 6 3.527 1.454 0.396 0.590 0.600 0.400 CB 1.188 6 residues pruned to eliminate duplicates Z: 6 4.879 1.447 0.434 0.603 0.800 0.200 CB 1.192 6 residues pruned to eliminate duplicates Z: 17 14.481 1.715 0.281 0.794 1.000 0.750 CB 1.273 16 residues pruned to eliminate duplicates Z: 16 14.808 1.709 0.308 0.914 0.933 0.733 CB 1.296 16 residues pruned to eliminate duplicates Z: 20 18.138 1.694 0.579 0.736 1.000 0.737 CB 1.259 20 residues pruned to eliminate duplicates Z: 20 17.501 1.704 0.444 0.867 0.947 0.526 CB 1.259 20 residues pruned to eliminate duplicates Z: 22 19.235 1.710 0.544 0.891 0.905 0.619 CB 1.263 22 residues pruned to eliminate duplicates Z: 18 18.945 1.754 0.641 0.865 0.882 0.588 CB 1.326 18 residues pruned to eliminate duplicates Z: 18 16.614 1.724 0.655 0.850 0.882 0.706 CB 1.185 18 residues pruned to eliminate duplicates Z: 14 13.376 1.661 0.626 0.923 1.000 0.769 CB 0.965 14 residues pruned to eliminate duplicates Z: 19 16.389 1.698 0.592 0.867 0.944 0.611 CB 1.107 19 residues pruned to eliminate duplicates Z: 21 21.179 1.706 0.629 0.884 1.000 0.650 CB 1.231 22 residues pruned to eliminate duplicates Z: 22 22.483 1.697 0.727 0.918 1.000 0.667 CB 1.181 22 residues pruned to eliminate duplicates Z: 19 16.424 1.581 0.778 0.898 0.944 0.333 CB 1.043 19 residues pruned to eliminate duplicates Z: 20 21.139 1.706 0.794 0.875 0.895 0.579 CB 1.288 20 residues pruned to eliminate duplicates Z: 22 21.202 1.668 0.755 0.839 1.000 0.571 CB 1.181 22 residues pruned to eliminate duplicates Z: 13 13.869 1.667 0.917 0.796 0.917 0.750 CB 1.054 14 residues pruned to eliminate duplicates Z: 20 17.684 1.676 0.760 0.872 0.947 0.526 CB 1.058 20 residues pruned to eliminate duplicates Z: 12 13.931 1.677 0.628 0.854 1.000 0.636 CB 1.137 12 residues pruned to eliminate duplicates Z: 18 11.684 1.680 0.541 0.689 0.882 0.471 CB 1.043 18 residues pruned to eliminate duplicates Z: 14 13.155 1.656 0.511 0.842 0.923 0.846 CB 1.177 13 residues pruned to eliminate duplicates Z: 13 12.893 1.687 0.470 0.836 0.917 0.667 CB 1.226 13 residues pruned to eliminate duplicates Z: 10 8.796 1.726 0.467 0.576 0.778 0.556 CB 1.384 10 residues pruned to eliminate duplicates Z: 6 3.626 1.605 0.603 0.295 0.800 0.600 CB 0.991 6 residues pruned to eliminate duplicates Z: 11 6.954 1.714 0.671 0.409 0.700 0.500 CB 1.206 9 residues pruned to eliminate duplicates Z: 11 17.461 1.988 0.792 0.850 1.000 0.500 CB 1.148 11 residues pruned to eliminate duplicates Z: 34 25.785 2.050 0.601 0.625 0.909 0.485 CB 1.337 33 residues pruned to eliminate duplicates Z: 10 18.402 1.924 0.927 0.889 1.000 0.778 CB 1.192 11 residues pruned to eliminate duplicates Z: 10 19.230 1.958 0.777 0.866 1.000 0.444 CB 1.349 10 residues pruned to eliminate duplicates Z: 12 13.004 1.989 0.753 0.746 0.818 0.455 CB 1.103 12 residues pruned to eliminate duplicates Z: 12 15.268 1.976 0.598 0.707 0.909 0.364 CB 1.330 12 residues pruned to eliminate duplicates Z: 14 10.072 1.934 0.652 0.630 0.769 0.308 CB 1.006 14 residues pruned to eliminate duplicates Z: 12 15.816 1.978 0.645 0.734 0.909 0.182 CB 1.306 12 residues pruned to eliminate duplicates Z: 14 14.487 1.704 0.889 0.605 0.923 0.462 CB 1.224 12 residues pruned to eliminate duplicates Z: 11 15.331 1.975 0.712 0.812 0.900 0.600 CB 1.214 11 residues pruned to eliminate duplicates Z: 33 22.732 2.092 0.564 0.586 0.812 0.469 CB 1.392 33 residues pruned to eliminate duplicates Z: 92 54.584 2.188 0.748 0.570 0.901 0.681 CB 1.552 92 residues pruned to eliminate duplicates Z: 51 30.543 2.201 0.578 0.436 0.900 0.440 CB 1.476 51 residues pruned to eliminate duplicates Z: 51 29.586 2.222 0.521 0.422 0.880 0.560 CB 1.525 51 residues pruned to eliminate duplicates Z: 58 29.092 2.155 0.384 0.473 0.912 0.456 CB 1.455 65 residues pruned to eliminate duplicates Z: 83 54.120 2.232 0.733 0.558 0.890 0.622 CB 1.640 83 residues pruned to eliminate duplicates Z: 96 59.817 2.179 0.713 0.601 0.937 0.674 CB 1.594 96 residues pruned to eliminate duplicates Z: 92 56.766 2.206 0.703 0.595 0.923 0.615 CB 1.567 92 residues pruned to eliminate duplicates Z: 48 25.955 2.198 0.520 0.398 0.872 0.532 CB 1.447 48 residues pruned to eliminate duplicates Z: 96 57.037 2.176 0.777 0.560 0.926 0.505 CB 1.541 96 residues pruned to eliminate duplicates Z: 93 58.534 2.201 0.780 0.613 0.880 0.630 CB 1.590 93 residues pruned to eliminate duplicates Z: 21 17.674 2.154 0.457 0.541 0.850 0.450 CB 1.424 21 residues pruned to eliminate duplicates Z: 90 55.957 2.201 0.748 0.600 0.899 0.674 CB 1.558 90 residues pruned to eliminate duplicates Z: 50 31.209 2.234 0.542 0.431 0.898 0.510 CB 1.549 50 residues pruned to eliminate duplicates Z: 49 31.567 2.201 0.633 0.457 0.854 0.542 CB 1.551 49 residues pruned to eliminate duplicates Z: 24 16.752 2.088 0.429 0.530 0.870 0.435 CB 1.307 24 residues pruned to eliminate duplicates Z: 93 56.333 2.229 0.733 0.558 0.935 0.543 CB 1.537 93 residues pruned to eliminate duplicates Z: 79 49.465 2.179 0.743 0.559 0.910 0.667 CB 1.530 79 residues pruned to eliminate duplicates Z: 60 30.457 2.176 0.593 0.459 0.847 0.424 CB 1.407 60 residues pruned to eliminate duplicates Z: 99 49.644 2.132 0.578 0.567 0.908 0.561 CB 1.540 99 residues pruned to eliminate duplicates Z: 51 28.157 2.214 0.529 0.417 0.860 0.520 CB 1.491 51 residues pruned to eliminate duplicates Z: 87 49.468 2.167 0.776 0.529 0.860 0.581 CB 1.565 87 residues pruned to eliminate duplicates Z: 54 29.598 2.172 0.569 0.406 0.830 0.491 CB 1.587 54 residues pruned to eliminate duplicates Z: 86 57.090 2.219 0.777 0.585 0.882 0.659 CB 1.640 86 residues pruned to eliminate duplicates Z: 76 50.199 2.221 0.735 0.536 0.907 0.520 CB 1.601 76 residues pruned to eliminate duplicates Z: 72 62.113 2.210 0.887 0.625 0.944 0.704 CB 1.665 72 residues pruned to eliminate duplicates Z: 32 22.443 2.190 0.679 0.357 0.806 0.452 CA 1.585 32 residues pruned to eliminate duplicates Z: 30 27.753 2.253 0.766 0.359 0.897 0.621 CB 1.681 30 residues pruned to eliminate duplicates Z: 30 23.033 2.228 0.614 0.342 0.897 0.586 CB 1.576 30 residues pruned to eliminate duplicates Z: 68 58.224 2.242 0.912 0.566 0.925 0.657 CA 1.682 68 residues pruned to eliminate duplicates Z: 36 27.654 2.223 0.715 0.349 0.886 0.486 CA 1.631 36 residues pruned to eliminate duplicates Z: 29 21.988 2.214 0.625 0.331 0.857 0.536 CA 1.621 29 residues pruned to eliminate duplicates Z: 80 53.473 2.261 0.672 0.563 0.911 0.633 CB 1.643 80 residues pruned to eliminate duplicates Z: 28 19.428 2.234 0.827 0.262 0.778 0.370 CB 1.545 28 residues pruned to eliminate duplicates Z: 37 23.554 2.233 0.646 0.317 0.861 0.500 CB 1.518 37 residues pruned to eliminate duplicates Z: 30 27.169 2.256 0.719 0.349 0.931 0.621 CA 1.645 30 residues pruned to eliminate duplicates Z: 65 32.782 2.123 0.694 0.433 0.859 0.453 CB 1.420 65 residues pruned to eliminate duplicates Z: 47 32.853 2.213 0.696 0.427 0.891 0.478 CB 1.562 47 residues pruned to eliminate duplicates Z: 32 27.311 2.164 0.862 0.357 0.935 0.645 CA 1.519 32 residues pruned to eliminate duplicates Z: 92 57.257 2.208 0.673 0.598 0.934 0.659 CB 1.583 92 residues pruned to eliminate duplicates Z: 52 30.979 2.182 0.622 0.387 0.902 0.490 CB 1.532 52 residues pruned to eliminate duplicates Z: 89 52.476 2.190 0.732 0.521 0.909 0.580 CB 1.588 89 residues pruned to eliminate duplicates Z: 70 59.840 2.220 0.944 0.631 0.913 0.725 CA 1.616 70 residues pruned to eliminate duplicates Z: 68 55.070 2.239 0.834 0.618 0.925 0.687 CB 1.584 68 residues pruned to eliminate duplicates Z: 70 59.555 2.217 0.832 0.639 0.971 0.710 CA 1.597 70 residues pruned to eliminate duplicates Z: 69 59.329 2.261 0.766 0.622 0.971 0.691 CB 1.655 69 residues pruned to eliminate duplicates Z: 89 57.616 2.225 0.757 0.563 0.898 0.602 CB 1.647 89 residues pruned to eliminate duplicates Z: 61 51.635 2.276 0.929 0.535 0.867 0.567 CB 1.693 61 residues pruned to eliminate duplicates Z: 65 51.664 2.224 0.843 0.548 0.906 0.656 CA 1.660 65 residues pruned to eliminate duplicates Z: 68 54.912 2.215 0.966 0.560 0.896 0.567 CB 1.624 68 residues pruned to eliminate duplicates Z: 62 57.058 2.262 0.971 0.549 0.934 0.623 CA 1.672 62 residues pruned to eliminate duplicates Z: 60 51.215 2.264 0.888 0.544 0.915 0.559 CB 1.633 60 residues pruned to eliminate duplicates Z: 63 53.608 2.249 0.930 0.548 0.919 0.581 CB 1.627 63 residues pruned to eliminate duplicates Z: 70 56.168 2.215 0.788 0.624 0.942 0.739 CA 1.613 70 residues pruned to eliminate duplicates Z: 102 64.256 2.190 0.777 0.611 0.941 0.653 CB 1.572 102 residues pruned to eliminate duplicates Z: 84 51.877 2.234 0.746 0.512 0.880 0.614 CB 1.640 84 residues pruned to eliminate duplicates Z: 46 51.222 2.215 0.840 0.725 0.911 0.689 CA 1.678 46 residues pruned to eliminate duplicates Z: 37 55.236 2.281 1.002 0.740 0.944 0.694 CA 1.721 37 residues pruned to eliminate duplicates Z: 35 54.056 2.213 1.173 0.735 0.912 0.706 CB 1.712 35 residues pruned to eliminate duplicates Z: 46 63.088 2.217 1.048 0.815 0.978 0.733 CA 1.611 46 residues pruned to eliminate duplicates Z: 91 66.564 2.247 0.788 0.615 0.944 0.544 CB 1.658 91 residues pruned to eliminate duplicates Z: 41 53.441 2.169 1.018 0.758 0.925 0.750 CA 1.659 41 residues pruned to eliminate duplicates Z: 43 67.977 2.254 1.102 0.826 0.976 0.833 CB 1.711 43 residues pruned to eliminate duplicates Z: 97 54.953 2.176 0.818 0.576 0.885 0.604 CB 1.489 97 residues pruned to eliminate duplicates Z: 47 66.711 2.232 1.055 0.813 0.978 0.761 CB 1.670 49 residues pruned to eliminate duplicates Z: 28 42.751 2.089 0.823 0.918 1.000 0.815 CB 1.524 28 residues pruned to eliminate duplicates Z: 48 57.240 2.236 1.113 0.709 0.915 0.596 CB 1.598 48 residues pruned to eliminate duplicates Z: 69 67.231 2.260 1.038 0.630 0.926 0.618 CB 1.690 69 residues pruned to eliminate duplicates Z: 43 64.509 2.239 1.019 0.803 1.000 0.667 CB 1.689 43 residues pruned to eliminate duplicates Z: 69 63.612 2.231 1.003 0.626 0.956 0.632 CB 1.604 69 residues pruned to eliminate duplicates Z: 30 59.580 2.341 1.221 0.818 0.931 0.586 CB 1.733 30 residues pruned to eliminate duplicates Z: 43 65.542 2.240 1.096 0.806 0.976 0.738 CB 1.689 43 residues pruned to eliminate duplicates Z: 29 45.425 2.057 0.881 0.946 0.964 0.786 CB 1.591 29 residues pruned to eliminate duplicates Z: 45 55.725 2.187 1.005 0.791 0.955 0.636 CB 1.555 45 residues pruned to eliminate duplicates Z: 69 62.524 2.259 0.965 0.619 0.926 0.529 CB 1.648 69 residues pruned to eliminate duplicates Z: 44 67.083 2.215 1.146 0.815 0.977 0.674 CB 1.676 44 residues pruned to eliminate duplicates Z: 45 58.918 2.186 1.147 0.790 0.932 0.614 CB 1.574 44 residues pruned to eliminate duplicates Z: 29 44.285 2.042 0.887 0.939 1.000 0.571 CB 1.510 29 residues pruned to eliminate duplicates Z: 45 62.629 2.220 1.081 0.790 0.977 0.568 CB 1.620 45 residues pruned to eliminate duplicates Z: 45 65.233 2.200 1.203 0.789 0.977 0.568 CB 1.611 45 residues pruned to eliminate duplicates Z: 46 62.643 2.150 1.241 0.790 0.956 0.511 CB 1.573 46 residues pruned to eliminate duplicates Z: 91 68.468 2.227 0.886 0.622 0.956 0.589 CB 1.602 91 residues pruned to eliminate duplicates Z: 29 51.235 2.096 1.100 0.949 0.964 0.607 CB 1.574 29 residues pruned to eliminate duplicates Z: 29 46.614 2.074 1.061 0.918 1.000 0.464 CB 1.454 29 residues pruned to eliminate duplicates Z: 45 64.208 2.181 1.153 0.819 0.955 0.636 CB 1.637 45 residues pruned to eliminate duplicates Z: 43 66.081 2.240 1.152 0.803 0.976 0.595 CB 1.664 44 residues pruned to eliminate duplicates Z: 29 48.910 2.114 1.150 0.926 0.929 0.679 CB 1.537 29 residues pruned to eliminate duplicates Z: 43 68.078 2.241 1.255 0.806 1.000 0.500 CB 1.592 43 residues pruned to eliminate duplicates Z: 71 65.096 2.244 1.044 0.610 0.943 0.514 CB 1.621 71 residues pruned to eliminate duplicates Z: 91 63.276 2.219 0.863 0.584 0.900 0.478 CB 1.653 91 residues pruned to eliminate duplicates Z: 72 48.123 2.158 0.985 0.538 0.845 0.408 CB 1.520 72 residues pruned to eliminate duplicates Z: 48 63.495 2.144 1.262 0.771 0.957 0.617 CB 1.569 48 residues pruned to eliminate duplicates Z: 29 27.261 2.192 0.744 0.545 0.929 0.571 CB 1.389 31 residues pruned to eliminate duplicates Z: 6 4.342 1.873 0.708 0.132 0.800 0.400 CA 1.200 6 residues pruned to eliminate duplicates Z: 24 20.676 2.232 0.596 0.408 0.913 0.478 CB 1.459 24 residues pruned to eliminate duplicates Z: 32 26.042 2.097 0.729 0.505 0.903 0.516 CB 1.421 30 residues pruned to eliminate duplicates Z: 9 21.572 2.105 0.683 0.862 1.000 0.625 CB 1.581 9 residues pruned to eliminate duplicates Z: 30 26.474 2.165 0.826 0.547 0.862 0.483 CB 1.377 30 residues pruned to eliminate duplicates Z: 28 32.027 2.171 0.832 0.538 1.000 0.519 CB 1.493 30 residues pruned to eliminate duplicates Z: 8 19.497 2.091 0.687 0.882 1.000 0.571 CB 1.512 8 residues pruned to eliminate duplicates Z: 23 24.748 2.159 0.834 0.461 0.955 0.455 CB 1.452 23 residues pruned to eliminate duplicates Z: 24 29.439 2.295 0.954 0.523 0.913 0.565 CB 1.466 24 residues pruned to eliminate duplicates Z: 24 25.045 2.194 0.971 0.478 0.870 0.304 CB 1.419 24 residues pruned to eliminate duplicates Z: 28 30.676 2.185 0.855 0.570 0.963 0.556 CB 1.414 28 residues pruned to eliminate duplicates Z: 29 30.728 2.195 0.830 0.542 0.893 0.536 CB 1.554 29 residues pruned to eliminate duplicates Z: 30 24.793 2.100 0.938 0.512 0.862 0.448 CB 1.296 30 residues pruned to eliminate duplicates Z: 28 27.313 2.136 0.790 0.456 0.926 0.444 CB 1.552 28 residues pruned to eliminate duplicates Z: 13 13.328 2.059 0.877 0.301 0.833 0.667 CB 1.491 13 residues pruned to eliminate duplicates Z: 17 18.657 2.043 0.778 0.471 0.875 0.562 CB 1.510 17 residues pruned to eliminate duplicates Z: 16 21.387 2.124 0.829 0.517 0.933 0.600 CB 1.497 16 residues pruned to eliminate duplicates Z: 29 30.591 2.234 0.826 0.552 0.893 0.393 CB 1.508 29 residues pruned to eliminate duplicates Z: 18 19.089 2.067 0.749 0.501 0.882 0.588 CB 1.449 18 residues pruned to eliminate duplicates Z: 30 29.982 2.204 0.868 0.564 0.897 0.552 CB 1.418 30 residues pruned to eliminate duplicates Z: 11 10.970 1.771 0.010 0.881 1.000 0.900 CB 1.404 10 residues pruned to eliminate duplicates Z: 13 9.977 1.644 0.349 0.756 0.917 0.583 CB 1.128 13 residues pruned to eliminate duplicates Z: 15 10.573 1.711 0.559 0.703 0.786 0.643 CB 1.121 15 residues pruned to eliminate duplicates Z: 12 11.663 1.754 0.313 0.794 0.909 0.727 CB 1.298 12 residues pruned to eliminate duplicates Z: 26 13.533 1.747 0.372 0.601 0.920 0.640 CB 1.115 26 residues pruned to eliminate duplicates Z: 12 13.057 1.745 0.542 0.844 1.000 0.636 CB 1.089 12 residues pruned to eliminate duplicates Z: 13 11.024 1.615 0.367 0.710 0.917 0.667 CB 1.300 13 residues pruned to eliminate duplicates Z: 12 12.063 1.797 0.254 0.819 0.909 0.818 CB 1.346 12 residues pruned to eliminate duplicates Z: 15 10.286 1.714 0.573 0.693 0.786 0.714 CB 1.088 15 residues pruned to eliminate duplicates Z: 13 9.316 1.647 0.428 0.733 0.833 0.583 CB 1.113 13 residues pruned to eliminate duplicates Z: 11 15.065 1.800 0.711 0.883 0.900 0.500 CB 1.243 11 residues pruned to eliminate duplicates Z: 15 18.898 1.736 0.577 0.920 1.000 0.857 CB 1.299 15 residues pruned to eliminate duplicates Z: 17 16.182 1.793 0.408 0.764 1.000 0.750 CB 1.267 17 residues pruned to eliminate duplicates Z: 12 5.452 1.746 0.095 0.348 0.909 0.727 CB 1.116 12 residues pruned to eliminate duplicates Z: 18 15.128 1.730 0.423 0.693 1.000 0.588 CB 1.249 18 residues pruned to eliminate duplicates Z: 14 16.896 1.819 0.486 0.918 1.000 0.769 CB 1.223 14 residues pruned to eliminate duplicates Z: 18 13.867 1.739 0.493 0.765 0.941 0.706 CB 1.087 18 residues pruned to eliminate duplicates Z: 15 17.853 1.840 0.456 0.855 1.000 0.786 CB 1.314 15 residues pruned to eliminate duplicates Z: 16 14.085 1.782 0.249 0.807 0.933 0.867 CB 1.339 16 residues pruned to eliminate duplicates Z: 16 20.175 1.813 0.610 0.823 1.000 0.733 CB 1.349 16 residues pruned to eliminate duplicates Z: 14 15.569 1.831 0.551 0.884 0.923 0.615 CB 1.190 14 residues pruned to eliminate duplicates Z: 17 15.624 1.771 0.480 0.733 1.000 0.750 CB 1.209 17 residues pruned to eliminate duplicates Z: 15 17.485 1.828 0.391 0.850 1.000 0.857 CB 1.362 15 residues pruned to eliminate duplicates Z: 16 19.056 1.810 0.597 0.791 1.000 0.733 CB 1.319 16 residues pruned to eliminate duplicates Z: 16 19.096 1.812 0.491 0.858 1.000 0.933 CB 1.343 16 residues pruned to eliminate duplicates Z: 16 11.105 1.786 0.460 0.446 0.867 0.600 CB 1.342 16 residues pruned to eliminate duplicates Z: 43 24.309 1.959 0.584 0.522 0.857 0.571 CB 1.380 43 residues pruned to eliminate duplicates Z: 42 28.647 2.011 0.588 0.598 0.927 0.610 CB 1.376 43 residues pruned to eliminate duplicates Z: 7 4.688 1.779 0.388 0.371 0.833 0.500 CB 1.068 7 residues pruned to eliminate duplicates Z: 14 10.341 1.799 0.615 0.412 0.846 0.615 CB 1.278 14 residues pruned to eliminate duplicates Z: 42 28.052 1.980 0.613 0.534 0.951 0.561 CB 1.395 42 residues pruned to eliminate duplicates Z: 42 22.720 1.889 0.532 0.504 0.902 0.561 CB 1.353 42 residues pruned to eliminate duplicates Z: 12 4.564 1.709 0.174 0.291 0.909 0.182 CB 0.954 12 residues pruned to eliminate duplicates Z: 71 34.572 1.957 0.602 0.638 0.857 0.600 CB 1.352 71 residues pruned to eliminate duplicates Z: 44 25.978 1.950 0.596 0.524 0.907 0.535 CB 1.371 44 residues pruned to eliminate duplicates Z: 22 12.912 1.801 0.492 0.436 0.857 0.476 CB 1.307 22 residues pruned to eliminate duplicates Z: 44 24.429 1.955 0.460 0.512 0.930 0.535 CB 1.387 44 residues pruned to eliminate duplicates Z: 43 27.523 1.990 0.652 0.558 0.881 0.667 CB 1.385 43 residues pruned to eliminate duplicates Z: 43 25.818 1.942 0.536 0.537 0.929 0.548 CB 1.387 43 residues pruned to eliminate duplicates Z: 30 25.356 2.026 0.601 0.625 0.931 0.621 CB 1.386 30 residues pruned to eliminate duplicates Z: 41 27.568 1.989 0.653 0.556 0.950 0.525 CB 1.322 41 residues pruned to eliminate duplicates Z: 24 22.535 2.001 0.538 0.605 0.913 0.652 CB 1.513 24 residues pruned to eliminate duplicates Z: 43 25.249 1.964 0.570 0.533 0.881 0.619 CB 1.388 43 residues pruned to eliminate duplicates Z: 30 22.098 1.980 0.580 0.604 0.931 0.586 CB 1.276 30 residues pruned to eliminate duplicates Z: 29 28.000 2.039 0.605 0.614 1.000 0.607 CB 1.452 29 residues pruned to eliminate duplicates Z: 28 26.687 2.045 0.608 0.654 0.926 0.741 CB 1.461 28 residues pruned to eliminate duplicates Z: 29 25.978 2.049 0.639 0.572 0.964 0.679 CB 1.414 29 residues pruned to eliminate duplicates Z: 27 27.286 2.040 0.600 0.612 1.000 0.769 CB 1.474 27 residues pruned to eliminate duplicates Z: 28 28.952 2.039 0.686 0.648 0.963 0.704 CB 1.465 28 residues pruned to eliminate duplicates Z: 29 25.717 2.049 0.527 0.651 0.929 0.750 CB 1.453 29 residues pruned to eliminate duplicates Z: 27 26.992 2.049 0.639 0.602 0.962 0.731 CB 1.488 27 residues pruned to eliminate duplicates Z: 28 22.848 2.023 0.537 0.553 0.926 0.556 CB 1.450 28 residues pruned to eliminate duplicates Z: 30 26.661 1.991 0.698 0.541 0.966 0.724 CB 1.457 30 residues pruned to eliminate duplicates Z: 27 29.598 2.101 0.629 0.653 0.962 0.692 CB 1.530 27 residues pruned to eliminate duplicates Z: 41 26.771 2.007 0.530 0.507 0.950 0.575 CB 1.441 41 residues pruned to eliminate duplicates Z: 29 30.234 2.059 0.758 0.639 0.964 0.607 CB 1.437 29 residues pruned to eliminate duplicates Z: 43 27.454 1.964 0.612 0.554 0.929 0.571 CB 1.368 43 residues pruned to eliminate duplicates Z: 30 27.015 2.019 0.737 0.613 0.966 0.586 CB 1.332 30 residues pruned to eliminate duplicates Z: 31 28.294 2.028 0.718 0.619 0.967 0.700 CB 1.371 31 residues pruned to eliminate duplicates Z: 30 22.711 1.943 0.612 0.574 0.966 0.483 CB 1.298 30 residues pruned to eliminate duplicates Z: 31 26.999 1.983 0.741 0.602 0.900 0.600 CB 1.440 31 residues pruned to eliminate duplicates Z: 45 24.187 1.957 0.551 0.493 0.864 0.477 CB 1.401 45 residues pruned to eliminate duplicates Z: 31 21.022 1.948 0.587 0.576 0.900 0.433 CB 1.282 31 residues pruned to eliminate duplicates Z: 47 18.913 1.900 0.454 0.462 0.848 0.435 CB 1.237 47 residues pruned to eliminate duplicates Z: 32 18.683 1.925 0.444 0.527 0.903 0.516 CB 1.301 32 residues pruned to eliminate duplicates Z: 72 42.247 2.025 0.547 0.653 0.958 0.620 CB 1.449 72 residues pruned to eliminate duplicates Z: 71 37.302 1.992 0.551 0.620 0.929 0.614 CB 1.388 71 residues pruned to eliminate duplicates Z: 68 44.562 2.046 0.606 0.647 0.985 0.672 CB 1.466 68 residues pruned to eliminate duplicates Z: 61 41.576 2.026 0.492 0.641 0.983 0.650 CB 1.583 61 residues pruned to eliminate duplicates Z: 30 30.399 2.060 0.390 0.755 1.000 0.690 CB 1.570 30 residues pruned to eliminate duplicates Z: 43 29.912 2.014 0.404 0.687 0.929 0.667 CB 1.481 43 residues pruned to eliminate duplicates Z: 71 36.234 1.974 0.558 0.609 0.929 0.586 CB 1.368 71 residues pruned to eliminate duplicates Z: 61 39.711 2.034 0.657 0.662 0.917 0.633 CB 1.428 61 residues pruned to eliminate duplicates Z: 42 38.256 2.065 0.645 0.715 0.976 0.659 CB 1.484 42 residues pruned to eliminate duplicates Z: 88 50.466 2.048 0.616 0.654 0.966 0.632 CB 1.468 88 residues pruned to eliminate duplicates Z: 86 48.365 2.044 0.567 0.656 0.953 0.635 CB 1.487 86 residues pruned to eliminate duplicates Z: 66 39.277 2.051 0.546 0.673 0.969 0.692 CB 1.351 66 residues pruned to eliminate duplicates Z: 103 50.813 2.037 0.631 0.621 0.922 0.598 CB 1.466 102 residues pruned to eliminate duplicates Z: 23 21.279 1.981 0.323 0.755 0.909 0.591 CB 1.517 23 residues pruned to eliminate duplicates Z: 40 36.628 2.066 0.639 0.727 0.949 0.641 CB 1.488 40 residues pruned to eliminate duplicates Z: 75 40.415 2.016 0.639 0.618 0.919 0.541 CB 1.383 75 residues pruned to eliminate duplicates Z: 39 37.970 2.048 0.690 0.716 0.947 0.526 CB 1.544 39 residues pruned to eliminate duplicates Z: 83 37.130 1.976 0.509 0.586 0.902 0.561 CB 1.403 138 residues pruned to eliminate duplicates Z: 72 48.014 2.035 0.672 0.651 0.958 0.577 CB 1.519 72 residues pruned to eliminate duplicates Z: 75 46.331 2.015 0.796 0.616 0.932 0.595 CB 1.429 75 residues pruned to eliminate duplicates Z: 59 39.327 2.032 0.683 0.687 0.931 0.655 CB 1.367 59 residues pruned to eliminate duplicates Z: 69 41.693 2.039 0.745 0.646 0.868 0.515 CB 1.429 69 residues pruned to eliminate duplicates Z: 39 35.126 2.050 0.726 0.731 0.895 0.474 CB 1.462 39 residues pruned to eliminate duplicates Z: 45 37.243 2.032 0.689 0.657 0.932 0.432 CB 1.518 45 residues pruned to eliminate duplicates Z: 94 51.519 2.062 0.620 0.673 0.946 0.667 CB 1.441 94 residues pruned to eliminate duplicates Z: 73 44.306 2.029 0.760 0.622 0.917 0.500 CB 1.421 73 residues pruned to eliminate duplicates Z: 48 32.019 1.956 0.709 0.644 0.894 0.489 CB 1.366 48 residues pruned to eliminate duplicates Z: 57 43.962 2.062 0.616 0.738 0.929 0.589 CB 1.533 57 residues pruned to eliminate duplicates Z: 61 42.754 2.051 0.620 0.703 0.967 0.700 CB 1.429 61 residues pruned to eliminate duplicates Z: 70 43.202 2.014 0.725 0.627 0.942 0.580 CB 1.411 70 residues pruned to eliminate duplicates Z: 70 40.741 2.029 0.669 0.652 0.928 0.435 CB 1.356 70 residues pruned to eliminate duplicates Z: 43 36.378 2.048 0.762 0.700 0.905 0.571 CB 1.433 43 residues pruned to eliminate duplicates Z: 44 35.135 2.035 0.629 0.699 0.930 0.535 CB 1.449 44 residues pruned to eliminate duplicates Z: 87 43.474 1.994 0.652 0.611 0.895 0.523 CB 1.431 86 residues pruned to eliminate duplicates Z: 16 29.457 2.205 0.630 0.814 0.933 0.933 CB 1.726 16 residues pruned to eliminate duplicates Z: 16 11.823 1.962 0.366 0.505 0.867 0.733 CA 1.308 16 residues pruned to eliminate duplicates Z: 18 18.635 2.139 0.177 0.758 0.941 0.882 CA 1.516 18 residues pruned to eliminate duplicates Z: 56 37.456 1.997 0.632 0.714 0.909 0.600 CB 1.404 56 residues pruned to eliminate duplicates Z: 16 26.233 2.218 0.349 0.811 1.000 0.933 CB 1.726 16 residues pruned to eliminate duplicates Z: 16 26.314 2.176 0.468 0.788 1.000 0.800 CB 1.651 16 residues pruned to eliminate duplicates Z: 26 31.140 2.135 0.677 0.730 0.920 0.840 CB 1.538 26 residues pruned to eliminate duplicates Z: 19 26.394 2.067 0.633 0.740 0.889 0.778 CB 1.672 19 residues pruned to eliminate duplicates Z: 23 19.619 2.009 0.631 0.613 0.864 0.727 CB 1.328 23 residues pruned to eliminate duplicates Z: 19 24.777 2.126 0.535 0.731 0.944 0.667 CB 1.539 19 residues pruned to eliminate duplicates Z: 89 49.187 2.066 0.672 0.659 0.920 0.568 CB 1.422 89 residues pruned to eliminate duplicates Z: 26 18.966 2.068 0.261 0.574 0.880 0.800 CA 1.539 26 residues pruned to eliminate duplicates Z: 25 26.413 2.103 0.610 0.627 0.917 0.750 CB 1.542 18 residues pruned to eliminate duplicates Z: 15 15.608 1.832 0.152 0.813 1.000 0.714 CB 1.506 15 residues pruned to eliminate duplicates Z: 16 20.705 1.876 0.554 0.866 0.933 0.733 CB 1.439 16 residues pruned to eliminate duplicates Z: 17 20.360 1.887 0.473 0.781 1.000 0.688 CB 1.430 17 residues pruned to eliminate duplicates Z: 17 16.391 1.846 0.412 0.786 0.812 0.625 CB 1.505 17 residues pruned to eliminate duplicates Z: 17 23.685 1.850 0.609 0.806 1.000 0.375 CB 1.523 17 residues pruned to eliminate duplicates Z: 18 18.289 1.826 0.628 0.702 0.882 0.529 CB 1.407 18 residues pruned to eliminate duplicates Z: 10 18.756 1.933 0.778 0.814 0.889 0.333 CB 1.558 10 residues pruned to eliminate duplicates Z: 16 20.142 1.853 0.512 0.817 1.000 0.400 CB 1.410 16 residues pruned to eliminate duplicates Z: 16 18.286 1.855 0.695 0.706 0.867 0.333 CB 1.437 16 residues pruned to eliminate duplicates Z: 27 17.455 1.851 0.651 0.575 0.923 0.423 CB 1.129 27 residues pruned to eliminate duplicates Z: 23 17.678 1.839 0.701 0.695 0.909 0.500 CB 1.109 23 residues pruned to eliminate duplicates Z: 17 7.684 1.775 0.728 0.472 0.875 0.625 CB 0.737 17 residues pruned to eliminate duplicates Z: 20 8.523 1.667 0.650 0.438 0.895 0.526 CB 0.847 20 residues pruned to eliminate duplicates Z: 19 8.039 1.669 0.835 0.378 0.833 0.444 CB 0.845 19 residues pruned to eliminate duplicates Z: 27 16.587 1.891 0.520 0.603 0.962 0.308 CB 1.067 27 residues pruned to eliminate duplicates Z: 23 9.595 1.803 0.393 0.441 0.864 0.500 CB 1.002 23 residues pruned to eliminate duplicates Z: 11 6.942 1.894 0.601 0.431 0.900 0.600 CB 0.864 11 residues pruned to eliminate duplicates Z: 10 8.886 1.943 0.522 0.509 1.000 0.778 CB 0.993 10 residues pruned to eliminate duplicates Z: 14 6.151 1.753 0.546 0.334 0.923 0.615 CB 0.818 14 residues pruned to eliminate duplicates Z: 12 8.286 1.900 0.667 0.455 1.000 0.636 CB 0.826 12 residues pruned to eliminate duplicates Z: 18 8.488 1.822 0.506 0.468 0.941 0.647 CB 0.823 18 residues pruned to eliminate duplicates Z: 11 5.808 1.934 0.713 0.402 1.000 0.700 CB 0.615 11 residues pruned to eliminate duplicates Z: 11 7.345 1.968 0.799 0.445 1.000 0.800 CB 0.694 11 residues pruned to eliminate duplicates Z: 11 6.194 1.955 0.828 0.422 1.000 0.700 CB 0.594 11 residues pruned to eliminate duplicates Z: 31 19.749 1.967 0.289 0.576 0.967 0.600 CB 1.368 31 residues pruned to eliminate duplicates Z: 75 36.663 2.056 0.511 0.502 0.932 0.568 CB 1.468 75 residues pruned to eliminate duplicates Z: 75 41.345 2.144 0.534 0.516 0.932 0.635 CB 1.543 75 residues pruned to eliminate duplicates Z: 30 22.335 1.897 0.401 0.626 0.931 0.793 CB 1.488 30 residues pruned to eliminate duplicates Z: 13 16.299 2.024 0.112 0.839 1.000 0.917 CB 1.561 13 residues pruned to eliminate duplicates Z: 131 65.655 2.157 0.604 0.622 0.923 0.669 CB 1.607 131 residues pruned to eliminate duplicates Z: 26 24.380 1.995 0.398 0.637 1.000 0.720 CB 1.537 26 residues pruned to eliminate duplicates Z: 26 16.015 1.809 0.281 0.479 0.960 0.520 CB 1.470 26 residues pruned to eliminate duplicates Z: 31 20.466 1.885 0.296 0.629 0.933 0.767 CB 1.451 31 residues pruned to eliminate duplicates Z: 29 23.294 1.932 0.381 0.630 0.929 0.750 CB 1.574 29 residues pruned to eliminate duplicates Z: 32 22.710 1.903 0.687 0.557 0.871 0.677 CB 1.380 32 residues pruned to eliminate duplicates Z: 60 38.831 2.106 0.600 0.588 0.881 0.576 CB 1.564 60 residues pruned to eliminate duplicates Z: 117 67.646 2.205 0.708 0.614 0.914 0.647 CB 1.639 117 residues pruned to eliminate duplicates Z: 33 21.615 1.890 0.335 0.511 0.969 0.562 CB 1.547 33 residues pruned to eliminate duplicates Z: 45 30.397 2.027 0.487 0.603 0.932 0.682 CB 1.479 45 residues pruned to eliminate duplicates Z: 32 19.794 1.961 0.301 0.559 0.903 0.613 CB 1.457 32 residues pruned to eliminate duplicates Z: 137 61.507 2.130 0.701 0.550 0.919 0.603 CB 1.508 137 residues pruned to eliminate duplicates Z: 28 24.552 1.931 0.438 0.627 0.926 0.667 CB 1.630 28 residues pruned to eliminate duplicates Z: 26 23.227 1.956 0.386 0.590 1.000 0.520 CB 1.572 26 residues pruned to eliminate duplicates Z: 41 21.126 1.949 0.424 0.491 0.900 0.625 CB 1.351 41 residues pruned to eliminate duplicates Z: 114 71.213 2.206 0.724 0.625 0.947 0.681 CB 1.654 114 residues pruned to eliminate duplicates Z: 28 22.784 1.958 0.313 0.635 0.963 0.667 CB 1.560 28 residues pruned to eliminate duplicates Z: 32 19.955 1.965 0.335 0.552 0.871 0.581 CB 1.492 32 residues pruned to eliminate duplicates Z: 27 16.956 1.898 0.400 0.556 0.808 0.538 CB 1.468 27 residues pruned to eliminate duplicates Z: 28 24.060 1.918 0.522 0.632 0.963 0.704 CA 1.455 28 residues pruned to eliminate duplicates Z: 102 57.365 2.216 0.783 0.536 0.901 0.554 CB 1.549 102 residues pruned to eliminate duplicates Z: 75 43.595 2.146 0.630 0.504 0.919 0.554 CB 1.571 75 residues pruned to eliminate duplicates Z: 118 66.751 2.190 0.749 0.596 0.915 0.598 CB 1.606 118 residues pruned to eliminate duplicates Z: 125 69.249 2.192 0.792 0.572 0.952 0.605 CB 1.551 125 residues pruned to eliminate duplicates Z: 137 64.413 2.146 0.766 0.576 0.919 0.632 CB 1.475 137 residues pruned to eliminate duplicates Z: 46 35.454 2.252 0.662 0.465 0.933 0.556 CB 1.568 46 residues pruned to eliminate duplicates Z: 131 65.249 2.137 0.716 0.630 0.915 0.562 CB 1.509 131 residues pruned to eliminate duplicates Z: 17 18.990 2.100 0.493 0.571 0.875 0.562 CB 1.617 17 residues pruned to eliminate duplicates Z: 92 68.278 2.282 0.824 0.607 0.945 0.670 CB 1.644 92 residues pruned to eliminate duplicates Z: 87 59.280 2.283 0.865 0.544 0.872 0.581 CB 1.649 87 residues pruned to eliminate duplicates Z: 50 34.257 2.238 0.707 0.397 0.898 0.490 CB 1.590 50 residues pruned to eliminate duplicates Z: 24 29.463 2.189 0.720 0.573 0.957 0.609 CB 1.590 24 residues pruned to eliminate duplicates Z: 87 64.255 2.294 0.741 0.603 0.942 0.628 CB 1.670 87 residues pruned to eliminate duplicates Z: 86 65.578 2.324 0.798 0.596 0.929 0.659 CB 1.671 86 residues pruned to eliminate duplicates Z: 51 35.158 2.251 0.717 0.417 0.900 0.520 CB 1.560 51 residues pruned to eliminate duplicates Z: 62 47.364 2.290 0.735 0.506 0.902 0.672 CB 1.682 62 residues pruned to eliminate duplicates Z: 77 46.558 2.162 0.668 0.516 0.921 0.592 CB 1.583 77 residues pruned to eliminate duplicates Z: 53 35.161 2.196 0.658 0.431 0.942 0.596 CB 1.527 53 residues pruned to eliminate duplicates Z: 45 27.742 2.180 0.753 0.348 0.864 0.409 CB 1.494 45 residues pruned to eliminate duplicates Z: 103 71.104 2.235 0.873 0.621 0.931 0.716 CB 1.611 103 residues pruned to eliminate duplicates Z: 51 29.151 2.166 0.714 0.378 0.860 0.480 CB 1.470 51 residues pruned to eliminate duplicates Z: 95 70.362 2.255 0.873 0.610 0.957 0.638 CB 1.616 95 residues pruned to eliminate duplicates Z: 107 69.058 2.209 0.840 0.627 0.934 0.660 CB 1.569 107 residues pruned to eliminate duplicates Z: 53 38.750 2.247 0.735 0.434 0.942 0.558 CB 1.566 53 residues pruned to eliminate duplicates Z: 98 64.028 2.204 0.736 0.617 0.959 0.680 CB 1.586 98 residues pruned to eliminate duplicates Z: 51 37.196 2.257 0.749 0.451 0.880 0.520 CB 1.592 51 residues pruned to eliminate duplicates Z: 45 31.977 2.208 0.711 0.363 0.909 0.477 CB 1.625 45 residues pruned to eliminate duplicates Z: 26 22.044 2.214 0.747 0.279 0.920 0.440 CB 1.589 26 residues pruned to eliminate duplicates Z: 84 75.502 2.341 0.922 0.631 0.952 0.651 CB 1.712 84 residues pruned to eliminate duplicates Z: 70 63.123 2.269 0.943 0.615 0.928 0.710 CA 1.666 70 residues pruned to eliminate duplicates Z: 114 66.762 2.209 0.807 0.570 0.920 0.611 CB 1.597 114 residues pruned to eliminate duplicates Z: 46 36.404 2.269 0.639 0.463 0.956 0.489 CB 1.586 46 residues pruned to eliminate duplicates Z: 49 37.957 2.249 0.787 0.422 0.917 0.562 CB 1.612 49 residues pruned to eliminate duplicates Z: 80 52.300 2.245 0.840 0.492 0.911 0.595 CB 1.575 80 residues pruned to eliminate duplicates Z: 70 64.024 2.311 0.863 0.618 0.971 0.667 CA 1.648 70 residues pruned to eliminate duplicates Z: 84 72.975 2.351 0.850 0.633 0.952 0.735 CB 1.707 84 residues pruned to eliminate duplicates Z: 53 35.839 2.209 0.725 0.399 0.904 0.462 CB 1.606 53 residues pruned to eliminate duplicates Z: 83 66.054 2.309 0.840 0.604 0.951 0.646 CB 1.635 83 residues pruned to eliminate duplicates Z: 86 67.638 2.309 0.798 0.613 0.941 0.718 CB 1.686 86 residues pruned to eliminate duplicates Z: 87 68.109 2.277 0.885 0.614 0.942 0.640 CB 1.631 87 residues pruned to eliminate duplicates Z: 24 11.939 1.886 0.776 0.354 0.870 0.522 CB 1.000 24 residues pruned to eliminate duplicates Z: 15 12.265 1.965 0.939 0.346 0.929 0.429 CA 1.095 15 residues pruned to eliminate duplicates Z: 93 73.272 2.264 0.912 0.603 0.957 0.652 CB 1.672 93 residues pruned to eliminate duplicates Z: 84 62.811 2.231 0.849 0.635 0.916 0.639 CB 1.608 84 residues pruned to eliminate duplicates Z: 64 53.761 2.287 0.788 0.583 0.952 0.683 CB 1.607 64 residues pruned to eliminate duplicates Z: 103 71.387 2.206 0.844 0.642 0.971 0.667 CB 1.567 103 residues pruned to eliminate duplicates Z: 83 75.004 2.342 0.901 0.634 0.951 0.659 CB 1.725 83 residues pruned to eliminate duplicates Z: 63 64.224 2.343 1.004 0.579 0.952 0.581 CA 1.691 63 residues pruned to eliminate duplicates Z: 82 72.718 2.355 0.926 0.608 0.951 0.605 CB 1.691 82 residues pruned to eliminate duplicates Z: 63 46.330 2.263 0.874 0.454 0.903 0.532 CA 1.610 63 residues pruned to eliminate duplicates Z: 46 60.192 2.263 1.058 0.728 0.956 0.711 CB 1.642 46 residues pruned to eliminate duplicates Z: 48 66.546 2.259 1.094 0.754 1.000 0.745 CB 1.637 48 residues pruned to eliminate duplicates Z: 87 71.089 2.295 1.008 0.564 0.953 0.651 CB 1.640 87 residues pruned to eliminate duplicates Z: 89 75.593 2.291 0.968 0.613 0.966 0.670 CB 1.662 89 residues pruned to eliminate duplicates Z: 59 61.258 2.203 0.905 0.773 0.948 0.724 CB 1.587 59 residues pruned to eliminate duplicates Z: 74 53.846 2.210 0.954 0.551 0.918 0.548 CB 1.513 74 residues pruned to eliminate duplicates Z: 90 67.979 2.281 0.911 0.597 0.944 0.618 CB 1.597 90 residues pruned to eliminate duplicates Z: 40 62.593 2.322 1.066 0.766 0.974 0.821 CA 1.694 40 residues pruned to eliminate duplicates Z: 51 55.980 2.237 1.014 0.709 0.920 0.560 CB 1.580 51 residues pruned to eliminate duplicates Z: 92 71.418 2.272 0.916 0.609 0.934 0.615 CB 1.660 92 residues pruned to eliminate duplicates Z: 92 75.930 2.289 0.921 0.610 0.967 0.670 CA 1.686 92 residues pruned to eliminate duplicates Z: 79 64.794 2.311 0.947 0.579 0.910 0.615 CB 1.660 79 residues pruned to eliminate duplicates Z: 130 69.188 2.148 0.744 0.609 0.953 0.628 CB 1.537 130 residues pruned to eliminate duplicates Z: 28 34.266 2.189 0.779 0.690 0.926 0.704 CB 1.537 28 residues pruned to eliminate duplicates Z: 107 69.805 2.218 0.807 0.609 0.953 0.651 CB 1.602 107 residues pruned to eliminate duplicates Z: 32 40.185 2.157 0.818 0.826 0.935 0.806 CA 1.483 32 residues pruned to eliminate duplicates Z: 44 61.732 2.275 1.004 0.767 0.977 0.721 CA 1.669 44 residues pruned to eliminate duplicates Z: 40 69.011 2.345 1.203 0.751 1.000 0.718 CB 1.710 40 residues pruned to eliminate duplicates Z: 40 64.713 2.312 1.272 0.689 1.000 0.667 CB 1.659 40 residues pruned to eliminate duplicates Z: 36 47.585 2.257 1.068 0.665 0.886 0.657 CB 1.670 36 residues pruned to eliminate duplicates Z: 94 49.949 2.132 0.723 0.524 0.892 0.581 CB 1.543 94 residues pruned to eliminate duplicates Z: 83 74.418 2.329 0.994 0.611 0.963 0.585 CB 1.653 83 residues pruned to eliminate duplicates Z: 90 76.130 2.306 0.916 0.632 0.966 0.618 CB 1.671 90 residues pruned to eliminate duplicates Z: 59 67.315 2.228 0.991 0.796 0.966 0.724 CB 1.593 59 residues pruned to eliminate duplicates Z: 61 58.902 2.194 0.970 0.750 0.933 0.717 CB 1.509 61 residues pruned to eliminate duplicates Z: 115 65.777 2.179 0.802 0.615 0.895 0.535 CB 1.572 115 residues pruned to eliminate duplicates Z: 85 74.302 2.316 0.997 0.619 0.940 0.548 CB 1.666 85 residues pruned to eliminate duplicates Z: 101 72.225 2.240 0.886 0.644 0.940 0.600 CB 1.589 101 residues pruned to eliminate duplicates Z: 60 60.164 2.156 0.961 0.767 0.966 0.576 CB 1.513 60 residues pruned to eliminate duplicates Z: 46 59.649 2.225 1.141 0.780 0.933 0.489 CB 1.562 46 residues pruned to eliminate duplicates Z: 61 60.070 2.166 1.023 0.757 0.933 0.567 CB 1.509 61 residues pruned to eliminate duplicates Z: 103 71.465 2.240 0.844 0.637 0.951 0.598 CB 1.585 103 residues pruned to eliminate duplicates Z: 47 47.963 2.152 0.796 0.785 0.978 0.522 CB 1.455 46 residues pruned to eliminate duplicates Z: 29 48.723 2.135 1.145 0.893 0.929 0.429 CB 1.554 29 residues pruned to eliminate duplicates Z: 33 51.923 2.205 1.161 0.841 0.938 0.594 CB 1.532 33 residues pruned to eliminate duplicates Z: 92 69.357 2.216 1.083 0.568 0.934 0.505 CB 1.579 92 residues pruned to eliminate duplicates Z: 91 68.923 2.235 0.988 0.624 0.944 0.522 CB 1.541 91 residues pruned to eliminate duplicates Z: 62 51.918 2.177 0.917 0.681 0.902 0.492 CB 1.496 62 residues pruned to eliminate duplicates Z: 68 45.153 2.197 1.017 0.511 0.836 0.418 CB 1.474 68 residues pruned to eliminate duplicates Z: 84 52.732 2.167 0.822 0.586 0.904 0.554 CB 1.493 84 residues pruned to eliminate duplicates Z: 46 46.121 2.129 0.942 0.785 0.911 0.444 CB 1.420 46 residues pruned to eliminate duplicates Z: 30 29.376 1.949 0.714 0.763 0.931 0.586 CB 1.388 30 residues pruned to eliminate duplicates Z: 96 58.252 2.205 0.923 0.563 0.884 0.495 CB 1.499 96 residues pruned to eliminate duplicates Z: 104 69.610 2.222 0.975 0.613 0.942 0.515 CB 1.491 104 residues pruned to eliminate duplicates Z: 12 18.224 1.983 0.383 0.872 1.000 0.818 CB 1.460 12 residues pruned to eliminate duplicates Z: 108 61.700 2.174 0.850 0.614 0.897 0.430 CB 1.484 108 residues pruned to eliminate duplicates Z: 26 24.648 1.926 0.661 0.738 0.920 0.480 CB 1.353 25 residues pruned to eliminate duplicates Z: 15 14.679 1.740 0.469 0.763 0.929 0.643 CB 1.309 16 residues pruned to eliminate duplicates Z: 13 14.879 2.004 0.174 0.838 1.000 0.667 CB 1.364 13 residues pruned to eliminate duplicates Z: 99 61.970 2.204 0.917 0.552 0.929 0.520 CB 1.516 99 residues pruned to eliminate duplicates Z: 14 16.867 1.974 0.405 0.798 1.000 0.538 CB 1.299 14 residues pruned to eliminate duplicates Z: 12 13.464 1.966 0.272 0.876 0.909 0.545 CB 1.297 12 residues pruned to eliminate duplicates Z: 15 15.100 1.895 0.385 0.749 1.000 0.643 CB 1.231 15 residues pruned to eliminate duplicates Z: 16 13.124 1.790 0.401 0.685 0.867 0.400 CB 1.316 16 residues pruned to eliminate duplicates Z: 15 15.016 1.882 0.552 0.748 0.929 0.357 CB 1.185 13 residues pruned to eliminate duplicates Z: 16 12.251 1.741 0.593 0.723 0.800 0.400 CB 1.166 16 residues pruned to eliminate duplicates Z: 6 10.466 1.831 0.506 0.772 1.000 0.800 CB 1.335 13 residues pruned to eliminate duplicates Z: 6 9.636 1.514 0.969 0.803 1.000 0.800 CA 1.109 6 residues pruned to eliminate duplicates Z: 7 4.574 1.775 0.349 0.607 0.667 0.500 CB 1.056 7 residues pruned to eliminate duplicates Z: 9 3.949 1.675 0.714 0.517 0.625 0.250 CB 0.765 9 residues pruned to eliminate duplicates Z: 6 3.336 1.719 0.398 0.279 1.000 0.400 CB 0.797 Z: 15 13.283 1.848 0.300 0.736 1.000 0.714 CB 1.196 16 residues pruned to eliminate duplicates Z: 10 19.054 1.931 0.629 0.901 1.000 1.000 CB 1.441 10 residues pruned to eliminate duplicates Z: 36 35.912 2.006 0.621 0.817 0.943 0.829 CB 1.504 36 residues pruned to eliminate duplicates Z: 9 16.243 2.000 0.468 0.912 1.000 1.000 CB 1.385 9 residues pruned to eliminate duplicates Z: 37 28.093 1.981 0.448 0.740 0.972 0.694 CB 1.355 37 residues pruned to eliminate duplicates Z: 31 35.901 2.086 0.618 0.791 0.967 0.800 CB 1.557 31 residues pruned to eliminate duplicates Z: 35 28.294 2.016 0.626 0.705 0.912 0.765 CB 1.348 35 residues pruned to eliminate duplicates Z: 40 39.381 1.991 0.784 0.690 1.000 0.795 CB 1.491 39 residues pruned to eliminate duplicates Z: 8 15.056 1.886 0.934 0.827 0.857 0.857 CB 1.372 8 residues pruned to eliminate duplicates Z: 30 35.140 2.054 0.673 0.778 1.000 0.724 CB 1.486 30 residues pruned to eliminate duplicates Z: 49 31.953 1.944 0.535 0.721 0.938 0.688 CB 1.350 49 residues pruned to eliminate duplicates Z: 38 32.232 1.955 0.667 0.713 0.973 0.622 CB 1.378 38 residues pruned to eliminate duplicates Z: 36 38.217 2.062 0.679 0.800 0.943 0.771 CB 1.522 36 residues pruned to eliminate duplicates Z: 30 34.833 2.083 0.586 0.779 0.966 0.793 CA 1.585 30 residues pruned to eliminate duplicates Z: 35 37.179 2.066 0.527 0.798 0.971 0.765 CB 1.605 35 residues pruned to eliminate duplicates Z: 40 29.880 1.994 0.591 0.679 0.923 0.641 CB 1.385 40 residues pruned to eliminate duplicates Z: 36 38.353 2.045 0.682 0.785 0.971 0.829 CB 1.510 36 residues pruned to eliminate duplicates Z: 37 37.833 2.020 0.635 0.793 1.000 0.778 CB 1.477 37 residues pruned to eliminate duplicates Z: 41 27.712 1.954 0.593 0.692 0.900 0.600 CB 1.313 41 residues pruned to eliminate duplicates Z: 32 33.949 2.039 0.663 0.733 1.000 0.677 CB 1.459 32 residues pruned to eliminate duplicates Z: 36 40.110 2.019 0.817 0.783 0.943 0.714 CB 1.528 36 residues pruned to eliminate duplicates Z: 32 36.437 2.054 0.769 0.799 0.935 0.677 CB 1.482 32 residues pruned to eliminate duplicates Z: 36 34.613 2.020 0.743 0.737 0.943 0.657 CB 1.425 36 residues pruned to eliminate duplicates Z: 32 38.257 2.043 0.818 0.823 0.968 0.677 CB 1.445 32 residues pruned to eliminate duplicates Z: 46 29.550 1.886 0.752 0.589 0.889 0.578 CB 1.377 46 residues pruned to eliminate duplicates Z: 39 29.117 2.004 0.720 0.670 0.868 0.605 CB 1.349 39 residues pruned to eliminate duplicates Z: 34 36.325 2.027 0.803 0.753 0.939 0.515 CB 1.470 34 residues pruned to eliminate duplicates Z: 33 34.159 1.977 0.949 0.707 0.906 0.562 CB 1.433 33 residues pruned to eliminate duplicates Z: 34 33.474 2.040 0.678 0.757 0.970 0.545 CB 1.396 34 residues pruned to eliminate duplicates Z: 39 38.551 1.997 0.707 0.773 1.000 0.684 CB 1.441 39 residues pruned to eliminate duplicates Z: 44 38.873 1.977 0.724 0.734 0.977 0.698 CB 1.443 44 residues pruned to eliminate duplicates Z: 36 41.662 2.060 0.828 0.799 1.000 0.743 CB 1.439 36 residues pruned to eliminate duplicates Z: 46 35.366 1.990 0.695 0.742 0.978 0.644 CB 1.287 46 residues pruned to eliminate duplicates Z: 38 37.938 2.035 0.748 0.808 1.000 0.757 CB 1.340 38 residues pruned to eliminate duplicates Z: 36 39.057 2.041 0.870 0.817 0.971 0.457 CB 1.352 36 residues pruned to eliminate duplicates Z: 38 37.367 2.004 0.798 0.819 0.919 0.541 CB 1.406 38 residues pruned to eliminate duplicates Z: 50 39.228 1.964 0.710 0.798 0.918 0.592 CB 1.400 50 residues pruned to eliminate duplicates Z: 27 42.888 2.055 0.982 0.891 0.962 0.462 CB 1.544 27 residues pruned to eliminate duplicates Z: 49 42.410 1.955 0.922 0.805 0.917 0.562 CB 1.362 50 residues pruned to eliminate duplicates Z: 14 17.299 1.793 0.582 0.778 1.000 0.769 CB 1.324 13 residues pruned to eliminate duplicates Z: 14 14.147 1.694 0.477 0.769 1.000 0.692 CB 1.236 14 residues pruned to eliminate duplicates Z: 10 4.357 1.620 0.146 0.350 0.778 0.556 N 1.183 10 residues pruned to eliminate duplicates Z: 14 14.561 1.795 0.572 0.741 0.923 0.692 CB 1.250 14 residues pruned to eliminate duplicates Z: 12 12.190 1.692 0.344 0.783 1.000 0.727 N 1.260 12 residues pruned to eliminate duplicates Z: 11 12.656 1.653 0.643 0.806 0.900 0.800 N 1.254 11 residues pruned to eliminate duplicates Z: 63 36.057 1.896 0.776 0.695 0.887 0.387 CB 1.283 63 residues pruned to eliminate duplicates Z: 15 13.265 1.592 0.712 0.675 1.000 0.500 CB 1.108 15 residues pruned to eliminate duplicates Z: 13 15.443 1.632 0.796 0.783 1.000 0.667 CB 1.185 13 residues pruned to eliminate duplicates Z: 13 15.570 1.711 0.625 0.809 1.000 0.500 CB 1.235 13 residues pruned to eliminate duplicates Z: 57 37.040 1.878 0.758 0.745 0.929 0.482 CB 1.297 57 residues pruned to eliminate duplicates Z: 15 13.298 1.754 0.549 0.749 0.857 0.571 CB 1.222 15 residues pruned to eliminate duplicates Z: 8 7.531 1.644 0.548 0.735 1.000 0.714 CB 0.906 8 residues pruned to eliminate duplicates Z: 7 7.461 1.643 0.364 0.798 1.000 0.500 CB 1.047 7 residues pruned to eliminate duplicates Z: 8 8.137 1.602 0.469 0.808 1.000 0.571 CB 0.999 8 residues pruned to eliminate duplicates Z: 6 8.110 1.534 0.870 0.784 1.000 0.600 CB 0.985 6 residues pruned to eliminate duplicates Z: 8 5.489 1.517 0.544 0.609 0.857 0.571 CB 0.931 8 residues pruned to eliminate duplicates Z: 7 4.091 1.540 0.255 0.820 0.667 0.333 CB 0.983 7 residues pruned to eliminate duplicates Z: 28 21.718 1.957 0.492 0.618 0.926 0.704 CB 1.382 28 residues pruned to eliminate duplicates Z: 27 23.794 2.030 0.492 0.643 0.962 0.538 CB 1.402 27 residues pruned to eliminate duplicates Z: 27 25.221 2.018 0.523 0.670 0.962 0.808 CB 1.430 27 residues pruned to eliminate duplicates Z: 23 23.619 1.963 0.559 0.640 0.955 0.773 CA 1.512 23 residues pruned to eliminate duplicates Z: 24 22.450 2.000 0.481 0.612 0.913 0.609 CA 1.557 24 residues pruned to eliminate duplicates Z: 30 25.643 1.918 0.558 0.628 0.966 0.724 CA 1.463 29 residues pruned to eliminate duplicates Z: 18 24.019 1.989 0.727 0.815 0.882 0.765 CB 1.462 18 residues pruned to eliminate duplicates Z: 51 26.191 1.961 0.423 0.580 0.880 0.540 CB 1.396 59 residues pruned to eliminate duplicates Z: 17 28.039 2.060 0.626 0.873 1.000 0.812 CA 1.523 17 residues pruned to eliminate duplicates Z: 29 24.779 1.979 0.551 0.583 0.964 0.643 CB 1.461 29 residues pruned to eliminate duplicates Z: 29 23.839 1.988 0.451 0.593 0.964 0.679 CB 1.482 29 residues pruned to eliminate duplicates Z: 28 26.668 2.004 0.584 0.646 0.963 0.778 CB 1.465 28 residues pruned to eliminate duplicates Z: 28 26.080 1.996 0.559 0.604 0.963 0.704 CA 1.516 30 residues pruned to eliminate duplicates Z: 17 26.117 2.042 0.571 0.862 1.000 0.875 CA 1.494 17 residues pruned to eliminate duplicates Z: 28 22.993 2.022 0.528 0.569 0.889 0.630 CB 1.508 28 residues pruned to eliminate duplicates Z: 28 22.714 2.015 0.561 0.611 0.852 0.667 CB 1.469 28 residues pruned to eliminate duplicates Z: 26 29.215 2.083 0.562 0.688 1.000 0.840 CB 1.512 26 residues pruned to eliminate duplicates Z: 6 4.988 1.575 0.420 0.413 1.000 0.800 CA 1.093 6 residues pruned to eliminate duplicates Z: 26 29.781 2.051 0.694 0.695 0.960 0.680 CB 1.495 26 residues pruned to eliminate duplicates Z: 6 3.000 1.334 0.978 0.190 0.800 0.200 N 0.921 Z: 12 13.277 1.862 0.442 0.818 0.818 0.636 CB 1.383 12 residues pruned to eliminate duplicates Z: 42 29.671 1.897 0.621 0.648 0.902 0.683 CA 1.455 57 residues pruned to eliminate duplicates Z: 11 16.792 2.051 0.660 0.810 0.800 0.300 CA 1.488 11 residues pruned to eliminate duplicates Z: 26 13.665 1.759 0.527 0.444 0.840 0.440 CB 1.283 26 residues pruned to eliminate duplicates Z: 18 15.912 1.814 0.652 0.567 0.941 0.353 CA 1.282 18 residues pruned to eliminate duplicates Z: 20 11.555 1.822 0.446 0.415 0.789 0.316 CA 1.392 20 residues pruned to eliminate duplicates Z: 28 17.986 1.805 0.667 0.472 0.852 0.296 CB 1.390 21 residues pruned to eliminate duplicates Z: 12 18.078 1.926 0.651 0.842 0.909 0.455 CA 1.405 12 residues pruned to eliminate duplicates Z: 23 18.583 1.865 0.674 0.502 0.909 0.318 CB 1.393 23 residues pruned to eliminate duplicates Z: 25 15.347 1.784 0.631 0.477 0.833 0.458 CB 1.322 25 residues pruned to eliminate duplicates Z: 19 17.119 1.906 0.586 0.547 0.889 0.278 CB 1.434 19 residues pruned to eliminate duplicates Z: 23 21.324 1.927 0.819 0.555 0.864 0.455 CB 1.423 23 residues pruned to eliminate duplicates Z: 18 16.648 1.849 0.748 0.631 0.765 0.471 CB 1.445 18 residues pruned to eliminate duplicates Z: 23 16.926 1.833 0.623 0.535 0.864 0.455 CB 1.357 24 residues pruned to eliminate duplicates Z: 7 10.565 2.029 0.703 0.648 0.833 0.167 CA 1.305 7 residues pruned to eliminate duplicates Z: 108 59.558 2.234 0.703 0.601 0.935 0.673 CB 1.471 108 residues pruned to eliminate duplicates Z: 122 64.129 2.205 0.709 0.619 0.909 0.669 CB 1.521 133 residues pruned to eliminate duplicates Z: 14 24.776 2.015 1.026 0.779 1.000 0.615 CA 1.316 14 residues pruned to eliminate duplicates Z: 48 47.151 2.233 0.682 0.739 0.915 0.702 CB 1.615 48 residues pruned to eliminate duplicates Z: 59 63.076 2.267 0.888 0.793 0.931 0.724 CB 1.607 59 residues pruned to eliminate duplicates Z: 116 60.649 2.248 0.728 0.635 0.878 0.617 CB 1.461 116 residues pruned to eliminate duplicates Z: 47 61.139 2.314 0.873 0.788 1.000 0.739 CB 1.615 47 residues pruned to eliminate duplicates Z: 107 62.549 2.216 0.841 0.600 0.925 0.632 CB 1.465 107 residues pruned to eliminate duplicates Z: 108 54.964 2.206 0.652 0.585 0.925 0.589 CB 1.452 108 residues pruned to eliminate duplicates Z: 49 56.262 2.262 0.918 0.760 0.958 0.708 CB 1.550 49 residues pruned to eliminate duplicates Z: 101 58.543 2.237 0.766 0.608 0.900 0.590 CB 1.487 101 residues pruned to eliminate duplicates Z: 117 53.714 2.149 0.748 0.556 0.879 0.552 CB 1.429 136 residues pruned to eliminate duplicates Z: 14 34.170 2.215 1.539 0.762 1.000 0.154 CB 1.335 14 residues pruned to eliminate duplicates Z: 119 70.840 2.241 0.828 0.629 0.932 0.627 CB 1.513 119 residues pruned to eliminate duplicates Z: 121 65.454 2.233 0.753 0.628 0.917 0.642 CB 1.476 122 residues pruned to eliminate duplicates Z: 31 44.265 2.215 0.565 0.934 0.967 0.900 CA 1.682 31 residues pruned to eliminate duplicates Z: 118 64.197 2.228 0.748 0.602 0.932 0.658 CB 1.485 118 residues pruned to eliminate duplicates Z: 61 47.021 2.184 0.680 0.705 0.900 0.667 CB 1.526 61 residues pruned to eliminate duplicates Z: 63 55.350 2.218 0.858 0.746 0.935 0.726 CB 1.464 63 residues pruned to eliminate duplicates Z: 61 62.768 2.238 0.881 0.765 0.983 0.617 CB 1.548 61 residues pruned to eliminate duplicates Z: 58 57.990 2.262 0.887 0.801 0.930 0.684 CB 1.488 58 residues pruned to eliminate duplicates Z: 107 64.806 2.271 0.730 0.623 0.953 0.651 CB 1.497 107 residues pruned to eliminate duplicates Z: 92 60.873 2.234 0.805 0.609 0.923 0.637 CB 1.546 92 residues pruned to eliminate duplicates Z: 65 60.575 2.266 0.798 0.776 0.938 0.766 CB 1.554 65 residues pruned to eliminate duplicates Z: 126 62.353 2.187 0.802 0.591 0.912 0.552 CB 1.422 126 residues pruned to eliminate duplicates Z: 32 42.249 2.153 0.538 0.934 0.968 0.903 CB 1.651 32 residues pruned to eliminate duplicates Z: 61 55.498 2.247 0.750 0.768 0.950 0.750 CB 1.513 61 residues pruned to eliminate duplicates Z: 94 66.967 2.249 0.885 0.693 0.914 0.624 CB 1.502 94 residues pruned to eliminate duplicates Z: 85 61.882 2.251 0.806 0.647 0.976 0.643 CB 1.483 85 residues pruned to eliminate duplicates Z: 119 66.863 2.195 0.785 0.603 0.949 0.619 CB 1.500 119 residues pruned to eliminate duplicates Z: 60 46.450 2.192 0.705 0.717 0.898 0.729 CB 1.480 60 residues pruned to eliminate duplicates Z: 64 65.742 2.259 0.921 0.777 0.952 0.651 CB 1.569 64 residues pruned to eliminate duplicates Z: 37 40.268 2.138 0.683 0.770 0.889 0.722 CB 1.651 37 residues pruned to eliminate duplicates Z: 45 63.026 2.333 1.010 0.813 0.955 0.705 CB 1.617 45 residues pruned to eliminate duplicates Z: 85 58.532 2.182 0.850 0.665 0.929 0.619 CB 1.462 85 residues pruned to eliminate duplicates Z: 31 55.166 2.206 0.961 0.939 0.967 0.800 CB 1.674 31 residues pruned to eliminate duplicates Z: 62 59.208 2.244 0.962 0.753 0.951 0.525 CB 1.445 62 residues pruned to eliminate duplicates Z: 59 64.050 2.261 1.036 0.768 0.966 0.517 CB 1.492 59 residues pruned to eliminate duplicates Z: 46 55.221 2.209 0.925 0.819 0.956 0.600 CB 1.536 46 residues pruned to eliminate duplicates Z: 50 50.440 2.228 0.933 0.731 0.918 0.490 CB 1.480 50 residues pruned to eliminate duplicates Z: 60 56.170 2.203 0.948 0.746 0.966 0.542 CB 1.416 60 residues pruned to eliminate duplicates Z: 63 53.717 2.199 1.028 0.755 0.871 0.500 CB 1.400 63 residues pruned to eliminate duplicates Z: 119 62.867 2.206 0.836 0.604 0.915 0.441 CB 1.414 84 residues pruned to eliminate duplicates Z: 45 51.203 2.185 0.810 0.889 0.977 0.568 CB 1.437 45 residues pruned to eliminate duplicates Z: 87 61.396 2.214 0.893 0.647 0.977 0.547 CB 1.410 87 residues pruned to eliminate duplicates Z: 13 24.157 2.129 0.767 0.767 1.000 0.500 CB 1.463 13 residues pruned to eliminate duplicates Z: 13 22.214 2.112 0.898 0.755 0.917 0.500 CB 1.391 13 residues pruned to eliminate duplicates Z: 12 20.534 2.148 0.695 0.833 0.909 0.727 CB 1.403 12 residues pruned to eliminate duplicates Z: 22 17.585 1.942 0.731 0.581 0.857 0.524 CB 1.232 22 residues pruned to eliminate duplicates Z: 10 21.566 2.199 0.758 0.816 1.000 0.889 CB 1.413 10 residues pruned to eliminate duplicates Z: 13 22.236 2.136 0.885 0.740 0.833 0.583 CB 1.543 13 residues pruned to eliminate duplicates Z: 122 63.965 2.200 0.815 0.620 0.909 0.488 CB 1.430 122 residues pruned to eliminate duplicates Z: 13 26.572 2.160 0.906 0.730 1.000 0.500 CB 1.514 13 residues pruned to eliminate duplicates Z: 61 60.027 2.262 0.975 0.775 0.933 0.583 CB 1.458 61 residues pruned to eliminate duplicates Z: 106 58.642 2.214 0.795 0.600 0.914 0.514 CB 1.431 106 residues pruned to eliminate duplicates Z: 76 62.868 2.266 0.924 0.686 0.960 0.640 CB 1.463 76 residues pruned to eliminate duplicates Z: 60 64.449 2.245 1.096 0.783 0.949 0.458 CB 1.464 60 residues pruned to eliminate duplicates Z: 150 70.638 2.153 0.782 0.626 0.933 0.530 CB 1.435 136 residues pruned to eliminate duplicates Z: 11 16.752 2.042 0.473 0.787 0.900 0.600 CA 1.521 11 residues pruned to eliminate duplicates Z: 70 37.019 2.114 0.655 0.537 0.884 0.493 CB 1.389 70 residues pruned to eliminate duplicates Z: 14 17.841 2.130 0.673 0.723 0.846 0.692 CB 1.341 14 residues pruned to eliminate duplicates Z: 13 17.562 2.198 0.382 0.699 0.833 0.583 CB 1.671 13 residues pruned to eliminate duplicates Z: 65 36.223 2.186 0.579 0.490 0.922 0.547 CB 1.437 65 residues pruned to eliminate duplicates Z: 63 34.515 2.223 0.566 0.458 0.919 0.468 CB 1.429 63 residues pruned to eliminate duplicates Z: 14 18.470 2.191 0.508 0.650 0.923 0.538 CB 1.461 14 residues pruned to eliminate duplicates Z: 16 13.789 2.063 0.383 0.606 0.933 0.600 CB 1.208 16 residues pruned to eliminate duplicates Z: 16 16.379 2.034 0.611 0.581 0.800 0.667 CB 1.493 16 residues pruned to eliminate duplicates Z: 13 21.695 2.214 0.784 0.715 0.833 0.583 CB 1.566 13 residues pruned to eliminate duplicates Z: 14 24.102 2.165 0.782 0.676 0.923 0.385 CB 1.596 14 residues pruned to eliminate duplicates Z: 31 28.414 2.143 0.685 0.620 0.933 0.567 CB 1.375 31 residues pruned to eliminate duplicates Z: 120 59.955 2.233 0.600 0.620 0.933 0.613 CB 1.473 63 residues pruned to eliminate duplicates Z: 12 11.478 2.023 0.860 0.568 0.727 0.091 CB 1.184 12 residues pruned to eliminate duplicates Z: 118 64.301 2.215 0.715 0.621 0.915 0.624 CB 1.526 119 residues pruned to eliminate duplicates Z: 6 5.777 1.815 0.424 0.429 1.000 0.400 CB 1.075 6 residues pruned to eliminate duplicates Z: 63 39.052 2.238 0.714 0.487 0.903 0.548 CB 1.450 63 residues pruned to eliminate duplicates Z: 55 31.718 2.185 0.594 0.445 0.870 0.389 CB 1.506 55 residues pruned to eliminate duplicates Z: 64 32.498 2.173 0.636 0.450 0.825 0.524 CB 1.468 64 residues pruned to eliminate duplicates Z: 62 34.429 2.186 0.629 0.441 0.902 0.475 CB 1.460 62 residues pruned to eliminate duplicates Z: 51 29.934 2.238 0.623 0.418 0.920 0.520 CB 1.380 51 residues pruned to eliminate duplicates Z: 97 56.453 2.259 0.705 0.593 0.896 0.604 CB 1.529 97 residues pruned to eliminate duplicates Z: 53 33.978 2.196 0.737 0.421 0.942 0.558 CB 1.422 53 residues pruned to eliminate duplicates Z: 25 27.007 2.135 0.834 0.508 0.875 0.625 CB 1.597 25 residues pruned to eliminate duplicates Z: 64 35.143 2.158 0.729 0.440 0.873 0.508 CB 1.445 64 residues pruned to eliminate duplicates Z: 46 28.779 2.210 0.645 0.413 0.911 0.644 CB 1.418 46 residues pruned to eliminate duplicates Z: 55 28.969 2.188 0.669 0.410 0.870 0.481 CB 1.363 55 residues pruned to eliminate duplicates Z: 91 41.682 2.121 0.665 0.518 0.900 0.511 CB 1.358 91 residues pruned to eliminate duplicates Z: 62 28.606 2.155 0.609 0.432 0.852 0.393 CB 1.330 62 residues pruned to eliminate duplicates Z: 53 25.297 2.165 0.644 0.373 0.827 0.596 CB 1.365 53 residues pruned to eliminate duplicates Z: 63 31.762 2.152 0.653 0.458 0.855 0.403 CB 1.385 63 residues pruned to eliminate duplicates Z: 52 29.278 2.244 0.650 0.456 0.824 0.431 CB 1.407 52 residues pruned to eliminate duplicates Z: 8 4.148 1.763 0.291 0.285 0.857 0.286 CB 1.025 Z: 6 2.961 1.568 0.559 0.243 0.800 0.800 CA 0.911 Z: 8 9.559 1.874 0.757 0.512 0.714 0.571 CA 1.517 5 residues pruned to eliminate duplicates Z: 6 8.931 2.175 0.520 0.439 1.000 0.600 CA 1.287 6 residues pruned to eliminate duplicates Z: 6 13.576 1.921 1.024 0.811 1.000 0.600 CA 1.191 6 residues pruned to eliminate duplicates Z: 14 20.635 1.959 0.734 0.662 1.000 0.462 CB 1.449 23 residues pruned to eliminate duplicates Z: 54 32.531 2.185 0.617 0.505 0.887 0.509 CB 1.419 62 residues pruned to eliminate duplicates Z: 62 36.091 2.237 0.564 0.497 0.918 0.607 CB 1.444 62 residues pruned to eliminate duplicates Z: 64 38.716 2.201 0.670 0.472 0.921 0.603 CB 1.483 64 residues pruned to eliminate duplicates Z: 63 34.612 2.207 0.561 0.487 0.935 0.500 CB 1.382 63 residues pruned to eliminate duplicates Z: 53 25.937 2.161 0.658 0.398 0.827 0.538 CB 1.351 53 residues pruned to eliminate duplicates Z: 62 34.006 2.178 0.598 0.461 0.902 0.541 CB 1.444 62 residues pruned to eliminate duplicates Z: 49 30.766 2.241 0.644 0.435 0.896 0.562 CB 1.438 49 residues pruned to eliminate duplicates Z: 63 40.066 2.165 0.732 0.482 0.935 0.613 CB 1.477 63 residues pruned to eliminate duplicates Z: 53 31.148 2.210 0.671 0.424 0.885 0.500 CB 1.432 53 residues pruned to eliminate duplicates Z: 30 23.307 2.201 0.651 0.363 0.966 0.552 CB 1.428 30 residues pruned to eliminate duplicates Z: 22 12.250 1.951 0.713 0.255 0.952 0.476 CB 1.112 22 residues pruned to eliminate duplicates Z: 64 34.628 2.213 0.588 0.477 0.873 0.492 CB 1.455 64 residues pruned to eliminate duplicates Z: 39 23.338 2.120 0.621 0.362 0.895 0.474 CB 1.428 39 residues pruned to eliminate duplicates Z: 93 58.158 2.279 0.600 0.629 0.946 0.685 CB 1.557 93 residues pruned to eliminate duplicates Z: 61 37.267 2.222 0.770 0.478 0.883 0.467 CB 1.417 61 residues pruned to eliminate duplicates Z: 52 35.371 2.206 0.759 0.437 0.961 0.529 CB 1.417 52 residues pruned to eliminate duplicates Z: 69 31.092 2.124 0.598 0.419 0.868 0.529 CB 1.394 69 residues pruned to eliminate duplicates Z: 30 18.810 1.833 0.460 0.586 0.862 0.690 CB 1.395 30 residues pruned to eliminate duplicates Z: 24 21.236 1.897 0.524 0.648 0.870 0.696 CB 1.534 20 residues pruned to eliminate duplicates Z: 17 17.634 1.922 0.380 0.739 0.938 0.750 CB 1.431 17 residues pruned to eliminate duplicates Z: 22 18.229 1.929 0.396 0.646 0.905 0.524 CB 1.425 22 residues pruned to eliminate duplicates Z: 23 18.034 1.931 0.432 0.585 0.864 0.636 CB 1.484 23 residues pruned to eliminate duplicates Z: 17 24.384 1.864 0.591 0.887 1.000 0.812 CB 1.482 17 residues pruned to eliminate duplicates Z: 22 19.050 1.893 0.569 0.653 0.857 0.619 CB 1.416 22 residues pruned to eliminate duplicates Z: 28 21.078 1.874 0.513 0.655 0.889 0.778 CB 1.394 28 residues pruned to eliminate duplicates Z: 23 19.671 1.925 0.485 0.610 0.909 0.545 CB 1.455 23 residues pruned to eliminate duplicates Z: 16 24.439 1.883 0.663 0.923 0.933 0.800 CB 1.516 16 residues pruned to eliminate duplicates Z: 22 19.614 1.899 0.525 0.683 0.952 0.524 CB 1.312 22 residues pruned to eliminate duplicates Z: 23 12.603 1.835 0.639 0.564 0.682 0.364 CB 1.232 23 residues pruned to eliminate duplicates Z: 24 23.457 1.928 0.632 0.620 0.957 0.522 CB 1.451 24 residues pruned to eliminate duplicates Z: 16 24.163 1.838 0.836 0.896 1.000 0.600 CB 1.324 16 residues pruned to eliminate duplicates Z: 29 18.117 1.845 0.664 0.566 0.857 0.464 CB 1.221 29 residues pruned to eliminate duplicates Z: 25 22.032 1.902 0.757 0.611 0.833 0.333 CB 1.454 25 residues pruned to eliminate duplicates Z: 21 23.043 1.955 0.760 0.693 0.900 0.550 CB 1.394 21 residues pruned to eliminate duplicates Z: 19 23.695 1.985 0.694 0.758 0.944 0.444 CB 1.398 19 residues pruned to eliminate duplicates Z: 25 17.722 1.925 0.644 0.571 0.917 0.417 CB 1.165 25 residues pruned to eliminate duplicates Z: 26 16.736 1.870 0.638 0.568 0.880 0.440 CB 1.163 26 residues pruned to eliminate duplicates Z: 33 17.946 1.758 0.627 0.536 0.875 0.375 CB 1.223 33 residues pruned to eliminate duplicates Z: 109 54.092 2.132 0.692 0.593 0.880 0.611 CB 1.502 138 residues pruned to eliminate duplicates Z: 9 4.474 1.618 0.504 0.575 0.750 0.750 CB 0.806 Z: 7 3.416 1.246 0.911 0.421 0.833 0.667 CA 0.763 7 residues pruned to eliminate duplicates Z: 6 8.921 1.818 0.430 0.688 1.000 0.800 CA 1.292 9 residues pruned to eliminate duplicates Z: 11 16.412 2.006 0.568 0.618 1.000 0.500 N 1.475 11 residues pruned to eliminate duplicates Z: 20 15.238 1.966 0.466 0.493 0.842 0.368 CB 1.450 16 residues pruned to eliminate duplicates Z: 10 15.586 1.893 0.719 0.722 0.889 0.778 CB 1.470 10 residues pruned to eliminate duplicates Z: 28 10.218 1.848 0.548 0.333 0.741 0.444 CB 1.114 28 residues pruned to eliminate duplicates Z: 11 9.319 2.035 0.440 0.540 0.700 0.400 CB 1.381 11 residues pruned to eliminate duplicates Z: 19 12.341 1.958 0.567 0.530 0.778 0.500 CB 1.183 19 residues pruned to eliminate duplicates Z: 25 21.649 1.983 0.914 0.396 0.875 0.417 CB 1.485 32 residues pruned to eliminate duplicates Z: 9 21.415 2.060 0.851 0.810 1.000 0.500 CB 1.516 9 residues pruned to eliminate duplicates Z: 11 15.033 1.972 0.653 0.663 0.900 0.500 CB 1.394 11 residues pruned to eliminate duplicates Z: 19 17.346 2.040 0.853 0.520 0.944 0.611 CB 1.122 19 residues pruned to eliminate duplicates Z: 71 28.817 2.009 0.619 0.516 0.886 0.643 CB 1.177 71 residues pruned to eliminate duplicates Z: 33 14.591 1.940 0.508 0.484 0.875 0.719 CB 1.024 33 residues pruned to eliminate duplicates Z: 32 12.668 1.915 0.414 0.411 0.839 0.581 CB 1.100 32 residues pruned to eliminate duplicates Z: 18 11.575 2.019 0.433 0.483 0.882 0.412 CB 1.119 18 residues pruned to eliminate duplicates Z: 18 10.856 2.007 0.516 0.470 0.824 0.588 CB 1.084 18 residues pruned to eliminate duplicates Z: 17 11.355 2.024 0.467 0.542 0.875 0.625 CB 1.049 17 residues pruned to eliminate duplicates Z: 35 16.484 1.929 0.489 0.490 0.912 0.647 CB 1.090 35 residues pruned to eliminate duplicates Z: 36 26.519 1.990 0.725 0.580 0.914 0.657 CB 1.323 36 residues pruned to eliminate duplicates Z: 18 11.745 1.975 0.570 0.471 0.882 0.765 CB 1.072 18 residues pruned to eliminate duplicates Z: 17 14.776 2.005 0.469 0.588 0.938 0.625 CB 1.229 17 residues pruned to eliminate duplicates Z: 36 16.397 1.925 0.403 0.482 0.914 0.629 CB 1.143 36 residues pruned to eliminate duplicates Z: 8 7.769 1.925 0.170 0.719 1.000 0.714 CB 1.070 8 residues pruned to eliminate duplicates Z: 18 7.873 1.963 0.220 0.487 0.882 0.765 CB 0.915 18 residues pruned to eliminate duplicates Z: 60 31.071 2.018 0.674 0.502 0.898 0.644 CB 1.330 60 residues pruned to eliminate duplicates Z: 23 9.943 1.939 0.285 0.488 0.864 0.727 CB 0.997 23 residues pruned to eliminate duplicates Z: 7 4.609 2.051 0.320 0.472 0.833 0.833 CB 0.858 7 residues pruned to eliminate duplicates Z: 7 6.302 2.035 0.507 0.464 1.000 0.833 CB 0.870 7 residues pruned to eliminate duplicates Z: 54 29.682 1.992 0.559 0.560 0.925 0.585 CB 1.340 54 residues pruned to eliminate duplicates Z: 13 11.065 1.942 0.609 0.490 0.833 0.750 CB 1.240 13 residues pruned to eliminate duplicates Z: 14 10.268 1.882 0.365 0.484 0.923 0.692 CB 1.221 14 residues pruned to eliminate duplicates Z: 8 7.855 1.945 0.414 0.554 0.857 0.714 CB 1.196 8 residues pruned to eliminate duplicates Z: 15 10.191 1.906 0.333 0.441 0.857 0.571 CB 1.329 15 residues pruned to eliminate duplicates Z: 52 34.649 2.025 0.723 0.534 0.961 0.647 CB 1.400 52 residues pruned to eliminate duplicates Z: 19 11.233 1.820 0.410 0.447 0.944 0.500 CB 1.154 19 residues pruned to eliminate duplicates Z: 50 30.591 2.002 0.650 0.514 0.918 0.592 CB 1.420 50 residues pruned to eliminate duplicates Z: 42 28.934 2.009 0.725 0.598 0.878 0.585 CB 1.353 42 residues pruned to eliminate duplicates Z: 14 11.395 1.950 0.390 0.532 0.846 0.462 CB 1.335 14 residues pruned to eliminate duplicates Z: 42 30.812 2.046 0.690 0.614 0.927 0.610 CB 1.348 42 residues pruned to eliminate duplicates Z: 11 6.425 1.781 0.648 0.343 0.800 0.500 CB 1.027 11 residues pruned to eliminate duplicates Z: 47 24.492 1.994 0.611 0.569 0.935 0.630 CB 1.125 47 residues pruned to eliminate duplicates Z: 60 29.700 1.981 0.528 0.528 0.932 0.695 CB 1.333 60 residues pruned to eliminate duplicates Z: 53 31.419 2.022 0.695 0.506 0.923 0.558 CB 1.369 53 residues pruned to eliminate duplicates Z: 46 29.103 2.035 0.564 0.539 0.933 0.644 CB 1.405 46 residues pruned to eliminate duplicates Z: 28 13.338 1.924 0.461 0.512 0.889 0.704 CB 1.015 28 residues pruned to eliminate duplicates Z: 18 9.369 1.753 0.650 0.433 0.824 0.471 CB 1.022 18 residues pruned to eliminate duplicates Z: 34 26.000 2.045 0.674 0.594 0.909 0.697 CB 1.329 34 residues pruned to eliminate duplicates Z: 20 9.248 1.840 0.506 0.371 0.789 0.579 CB 1.114 20 residues pruned to eliminate duplicates Z: 51 27.357 1.988 0.590 0.482 0.920 0.600 CB 1.354 51 residues pruned to eliminate duplicates Z: 52 29.740 2.018 0.728 0.524 0.882 0.569 CB 1.321 52 residues pruned to eliminate duplicates Z: 36 25.328 2.037 0.634 0.586 0.914 0.571 CB 1.295 36 residues pruned to eliminate duplicates Z: 65 31.550 2.015 0.700 0.494 0.906 0.578 CB 1.278 65 residues pruned to eliminate duplicates Z: 54 25.316 2.000 0.593 0.522 0.811 0.566 CB 1.317 54 residues pruned to eliminate duplicates Z: 53 31.074 2.024 0.639 0.532 0.904 0.558 CB 1.393 53 residues pruned to eliminate duplicates Z: 52 32.548 2.024 0.555 0.544 0.941 0.686 CB 1.474 52 residues pruned to eliminate duplicates Z: 45 27.312 2.014 0.681 0.508 0.886 0.636 CB 1.361 45 residues pruned to eliminate duplicates Z: 54 31.052 1.981 0.671 0.543 0.981 0.623 CB 1.259 54 residues pruned to eliminate duplicates Z: 59 28.977 2.021 0.686 0.475 0.914 0.638 CB 1.254 59 residues pruned to eliminate duplicates Z: 37 30.540 2.081 0.699 0.523 0.944 0.444 CB 1.490 37 residues pruned to eliminate duplicates Z: 35 27.049 2.042 0.763 0.609 0.912 0.618 CB 1.274 35 residues pruned to eliminate duplicates Z: 32 26.067 2.015 0.604 0.540 0.935 0.613 CB 1.489 32 residues pruned to eliminate duplicates Z: 19 26.037 2.089 0.851 0.775 0.944 0.611 CB 1.318 19 residues pruned to eliminate duplicates Z: 53 31.225 2.031 0.663 0.539 0.904 0.615 CB 1.364 53 residues pruned to eliminate duplicates Z: 48 27.830 1.984 0.738 0.516 0.894 0.596 CB 1.297 48 residues pruned to eliminate duplicates Z: 19 35.542 2.104 0.987 0.778 1.000 0.667 CB 1.568 19 residues pruned to eliminate duplicates Z: 53 31.745 2.021 0.649 0.546 0.942 0.673 CB 1.340 53 residues pruned to eliminate duplicates Z: 46 29.914 2.021 0.633 0.541 0.933 0.556 CB 1.391 46 residues pruned to eliminate duplicates Z: 39 29.417 2.018 0.730 0.530 0.921 0.474 CB 1.440 39 residues pruned to eliminate duplicates Z: 32 30.337 1.973 0.804 0.569 0.968 0.613 CB 1.479 32 residues pruned to eliminate duplicates Z: 80 31.535 2.006 0.622 0.538 0.886 0.570 CB 1.185 80 residues pruned to eliminate duplicates Z: 46 27.559 1.987 0.678 0.509 0.889 0.533 CB 1.374 46 residues pruned to eliminate duplicates Z: 33 27.483 1.996 0.723 0.524 0.969 0.656 CB 1.424 33 residues pruned to eliminate duplicates Z: 40 31.151 2.046 0.792 0.555 0.923 0.590 CB 1.397 40 residues pruned to eliminate duplicates Z: 34 28.166 2.008 0.749 0.577 0.909 0.545 CB 1.425 34 residues pruned to eliminate duplicates Z: 37 30.847 2.064 0.939 0.541 0.917 0.500 CB 1.347 37 residues pruned to eliminate duplicates Z: 45 28.071 2.021 0.765 0.524 0.886 0.545 CB 1.307 45 residues pruned to eliminate duplicates Z: 28 29.992 2.050 0.801 0.614 0.963 0.630 CB 1.458 28 residues pruned to eliminate duplicates Z: 35 29.665 2.071 0.751 0.574 0.912 0.588 CB 1.432 35 residues pruned to eliminate duplicates Z: 32 27.968 2.028 0.762 0.583 0.935 0.613 CB 1.387 32 residues pruned to eliminate duplicates Z: 55 31.728 2.007 0.686 0.554 0.907 0.500 CB 1.334 55 residues pruned to eliminate duplicates Z: 81 33.122 1.941 0.556 0.621 0.887 0.637 CB 1.233 81 residues pruned to eliminate duplicates Z: 54 27.994 1.933 0.520 0.567 0.943 0.642 CB 1.301 54 residues pruned to eliminate duplicates Z: 71 27.233 1.944 0.591 0.528 0.886 0.529 CB 1.156 71 residues pruned to eliminate duplicates Z: 73 30.134 1.869 0.498 0.580 0.889 0.556 CB 1.321 72 residues pruned to eliminate duplicates Z: 24 21.691 1.866 0.474 0.868 0.957 0.826 CB 1.256 24 residues pruned to eliminate duplicates Z: 39 21.712 1.856 0.363 0.657 0.921 0.579 CB 1.306 39 residues pruned to eliminate duplicates Z: 85 38.277 1.947 0.633 0.625 0.964 0.607 CB 1.211 85 residues pruned to eliminate duplicates Z: 25 23.011 1.821 0.523 0.862 0.958 0.708 CB 1.297 25 residues pruned to eliminate duplicates Z: 30 21.087 1.802 0.465 0.777 0.931 0.621 CB 1.247 30 residues pruned to eliminate duplicates Z: 15 17.559 1.861 0.741 0.693 0.929 0.571 CA 1.307 15 residues pruned to eliminate duplicates Z: 23 20.193 1.848 0.523 0.777 0.909 0.864 CB 1.317 23 residues pruned to eliminate duplicates Z: 27 18.214 1.769 0.431 0.782 0.923 0.731 CB 1.192 27 residues pruned to eliminate duplicates Z: 21 24.327 1.846 0.632 0.816 0.950 0.900 CB 1.444 21 residues pruned to eliminate duplicates Z: 36 20.540 1.766 0.554 0.659 0.914 0.629 CB 1.193 36 residues pruned to eliminate duplicates Z: 28 20.801 1.781 0.517 0.758 0.926 0.593 CB 1.273 28 residues pruned to eliminate duplicates Z: 79 33.305 1.837 0.720 0.576 0.910 0.487 CB 1.218 79 residues pruned to eliminate duplicates Z: 25 21.154 1.806 0.576 0.779 0.958 0.500 CB 1.238 25 residues pruned to eliminate duplicates Z: 31 22.381 1.804 0.639 0.762 0.933 0.600 CB 1.173 31 residues pruned to eliminate duplicates Z: 29 20.839 1.771 0.789 0.727 0.964 0.500 CB 1.050 29 residues pruned to eliminate duplicates Z: 30 19.587 1.763 0.551 0.696 0.931 0.448 CB 1.194 30 residues pruned to eliminate duplicates Z: 35 19.206 1.731 0.631 0.672 0.912 0.382 CB 1.092 35 residues pruned to eliminate duplicates Z: 79 37.612 1.937 0.702 0.624 0.897 0.590 CB 1.281 79 residues pruned to eliminate duplicates Z: 25 23.704 1.846 0.887 0.809 0.958 0.542 CB 1.108 25 residues pruned to eliminate duplicates Z: 27 24.833 1.824 0.782 0.754 0.962 0.462 CB 1.244 27 residues pruned to eliminate duplicates Z: 25 22.856 1.861 0.683 0.823 0.917 0.583 CB 1.228 25 residues pruned to eliminate duplicates Z: 32 21.127 1.788 0.592 0.674 0.935 0.548 CB 1.213 32 residues pruned to eliminate duplicates Z: 28 23.269 1.848 0.710 0.724 0.889 0.593 CB 1.304 28 residues pruned to eliminate duplicates Z: 29 19.845 1.801 0.694 0.724 0.893 0.464 CB 1.125 29 residues pruned to eliminate duplicates Z: 32 21.764 1.858 0.580 0.723 0.871 0.677 CB 1.250 32 residues pruned to eliminate duplicates Z: 41 22.339 1.782 0.516 0.660 0.925 0.475 CB 1.218 41 residues pruned to eliminate duplicates Z: 39 20.972 1.864 0.493 0.609 0.921 0.500 CB 1.196 39 residues pruned to eliminate duplicates Z: 29 21.072 1.846 0.657 0.662 0.893 0.536 CB 1.255 29 residues pruned to eliminate duplicates Z: 29 17.999 1.807 0.573 0.692 0.929 0.607 CB 1.081 29 residues pruned to eliminate duplicates Z: 8 3.227 1.670 0.290 0.197 0.714 0.286 CB 1.137 8 residues pruned to eliminate duplicates Z: 32 18.157 1.762 0.565 0.674 0.903 0.677 CB 1.115 32 residues pruned to eliminate duplicates Z: 31 22.780 1.796 0.615 0.732 0.967 0.467 CB 1.203 31 residues pruned to eliminate duplicates Z: 12 8.095 1.678 0.340 0.480 0.909 0.455 CB 1.218 12 residues pruned to eliminate duplicates Z: 12 5.602 1.629 0.439 0.453 0.727 0.545 CB 1.040 12 residues pruned to eliminate duplicates Z: 8 6.008 1.607 0.369 0.325 1.000 0.857 CB 1.251 16 residues pruned to eliminate duplicates Z: 6 2.677 1.438 0.298 0.295 0.800 0.600 N 1.008 6 residues pruned to eliminate duplicates Z: 9 7.783 1.796 0.774 0.276 0.875 0.500 CB 1.272 9 residues pruned to eliminate duplicates Z: 11 4.715 1.542 0.327 0.300 0.900 0.500 CB 1.013 11 residues pruned to eliminate duplicates Z: 7 5.274 1.697 0.416 0.216 1.000 0.667 CB 1.251 7 residues pruned to eliminate duplicates Z: 7 5.005 1.783 0.442 0.228 1.000 0.500 CB 1.092 7 residues pruned to eliminate duplicates Z: 8 3.849 1.550 0.460 0.175 0.857 0.286 CB 1.111 8 residues pruned to eliminate duplicates Z: 18 10.961 1.882 0.596 0.395 0.824 0.529 CB 1.201 18 residues pruned to eliminate duplicates Z: 13 8.990 1.892 0.731 0.379 0.833 0.583 CB 1.081 13 residues pruned to eliminate duplicates Z: 16 8.846 1.834 0.639 0.301 0.867 0.467 CB 1.094 16 residues pruned to eliminate duplicates Z: 11 7.827 1.982 0.610 0.418 0.800 0.400 CB 1.056 11 residues pruned to eliminate duplicates Z: 12 7.955 1.882 0.636 0.336 0.909 0.545 CB 1.024 12 residues pruned to eliminate duplicates Z: 12 7.514 1.903 0.689 0.356 0.818 0.545 CB 1.007 12 residues pruned to eliminate duplicates Z: 17 10.830 1.956 0.646 0.413 0.938 0.688 CB 0.983 18 residues pruned to eliminate duplicates Z: 7 4.675 1.708 0.303 0.388 0.833 0.667 CA 1.160 7 residues pruned to eliminate duplicates Z: 8 8.533 2.005 0.619 0.476 1.000 0.714 CB 1.018 8 residues pruned to eliminate duplicates Z: 19 8.466 1.793 0.374 0.426 0.833 0.611 CB 1.050 19 residues pruned to eliminate duplicates Z: 21 8.142 1.796 0.328 0.390 0.850 0.450 CB 1.009 21 residues pruned to eliminate duplicates Z: 7 5.417 1.706 0.402 0.621 0.833 0.667 CB 0.989 7 residues pruned to eliminate duplicates Z: 7 5.796 1.665 0.355 0.637 0.833 0.667 CB 1.107 7 residues pruned to eliminate duplicates Z: 8 3.555 1.763 0.037 0.466 0.714 0.571 CB 1.064 8 residues pruned to eliminate duplicates Z: 7 5.523 1.700 0.387 0.598 0.833 0.500 N 1.045 7 residues pruned to eliminate duplicates Z: 45 26.171 2.094 0.617 0.525 0.818 0.568 CB 1.389 46 residues pruned to eliminate duplicates Z: 6 3.464 1.606 1.139 0.122 0.600 0.400 CA 1.208 6 residues pruned to eliminate duplicates Z: 8 9.904 2.065 0.142 0.664 1.000 0.714 CB 1.364 8 residues pruned to eliminate duplicates Z: 16 10.226 1.973 0.434 0.398 0.800 0.467 CB 1.300 16 residues pruned to eliminate duplicates Z: 13 7.355 2.011 -0.046 0.496 0.750 0.583 CB 1.481 13 residues pruned to eliminate duplicates Z: 15 6.297 1.794 0.297 0.388 0.786 0.500 CB 1.037 15 residues pruned to eliminate duplicates Z: 53 25.152 1.979 0.681 0.421 0.827 0.577 CB 1.377 53 residues pruned to eliminate duplicates Z: 14 9.412 1.942 0.388 0.433 0.846 0.615 CB 1.227 14 residues pruned to eliminate duplicates Z: 16 8.131 1.931 0.362 0.333 0.800 0.467 CB 1.198 16 residues pruned to eliminate duplicates Z: 19 13.367 1.885 0.610 0.463 0.889 0.500 CB 1.212 19 residues pruned to eliminate duplicates Z: 41 28.572 2.068 0.679 0.482 0.925 0.575 CB 1.433 41 residues pruned to eliminate duplicates Z: 42 23.736 2.073 0.618 0.464 0.902 0.561 CB 1.271 42 residues pruned to eliminate duplicates Z: 40 29.822 2.143 0.680 0.485 0.897 0.590 CB 1.500 40 residues pruned to eliminate duplicates Z: 28 24.699 2.178 0.670 0.504 0.815 0.519 CB 1.597 28 residues pruned to eliminate duplicates Z: 29 26.871 2.185 0.673 0.541 0.929 0.536 CB 1.437 29 residues pruned to eliminate duplicates Z: 16 20.346 2.166 0.913 0.484 0.867 0.600 CB 1.485 16 residues pruned to eliminate duplicates Z: 22 20.798 2.118 0.893 0.455 0.857 0.524 CB 1.382 22 residues pruned to eliminate duplicates Z: 30 27.239 2.154 0.717 0.492 0.897 0.586 CB 1.538 30 residues pruned to eliminate duplicates Z: 26 28.511 2.192 0.723 0.469 0.960 0.440 CB 1.623 26 residues pruned to eliminate duplicates Z: 26 29.041 2.191 0.722 0.480 0.960 0.600 CB 1.636 26 residues pruned to eliminate duplicates Z: 35 20.329 2.034 0.639 0.396 0.824 0.500 CB 1.417 35 residues pruned to eliminate duplicates Z: 28 27.020 2.185 0.707 0.479 0.926 0.481 CB 1.538 28 residues pruned to eliminate duplicates Z: 28 23.667 2.181 0.607 0.447 0.889 0.481 CB 1.544 28 residues pruned to eliminate duplicates Z: 27 27.141 2.170 0.645 0.484 0.962 0.577 CB 1.575 27 residues pruned to eliminate duplicates Z: 24 17.449 2.186 0.669 0.331 0.826 0.522 CB 1.453 24 residues pruned to eliminate duplicates Z: 27 24.366 2.138 0.677 0.440 0.885 0.654 CB 1.603 27 residues pruned to eliminate duplicates Z: 18 18.702 2.043 0.829 0.460 0.882 0.647 CB 1.433 18 residues pruned to eliminate duplicates Z: 18 15.204 2.003 0.610 0.334 0.941 0.647 CB 1.456 18 residues pruned to eliminate duplicates Z: 28 24.294 2.114 0.706 0.512 0.889 0.481 CB 1.440 28 residues pruned to eliminate duplicates Z: 29 23.249 2.050 0.538 0.436 0.964 0.536 CB 1.544 29 residues pruned to eliminate duplicates Z: 30 26.706 2.110 0.694 0.491 0.897 0.621 CB 1.561 30 residues pruned to eliminate duplicates Z: 37 25.906 2.039 0.661 0.474 0.917 0.528 CB 1.428 37 residues pruned to eliminate duplicates Z: 34 27.140 2.097 0.731 0.447 0.879 0.485 CB 1.563 34 residues pruned to eliminate duplicates Z: 32 29.496 2.175 0.564 0.487 0.935 0.484 CB 1.687 32 residues pruned to eliminate duplicates Z: 24 24.322 2.098 0.634 0.474 0.957 0.609 CB 1.588 24 residues pruned to eliminate duplicates Z: 39 25.152 2.085 0.726 0.392 0.895 0.526 CB 1.420 39 residues pruned to eliminate duplicates Z: 11 14.305 1.987 0.654 0.602 0.900 0.600 CB 1.387 11 residues pruned to eliminate duplicates Z: 43 30.337 2.136 0.543 0.463 0.952 0.429 CB 1.548 43 residues pruned to eliminate duplicates Z: 43 31.358 2.121 0.692 0.466 0.929 0.429 CB 1.503 43 residues pruned to eliminate duplicates Z: 33 32.070 2.139 0.770 0.492 0.938 0.438 CB 1.610 33 residues pruned to eliminate duplicates Z: 23 15.439 1.962 0.378 0.467 0.955 0.364 CB 1.318 23 residues pruned to eliminate duplicates Z: 35 28.932 2.022 0.719 0.460 0.971 0.500 CB 1.532 35 residues pruned to eliminate duplicates Z: 24 17.389 1.968 0.464 0.537 0.957 0.522 CB 1.268 24 residues pruned to eliminate duplicates Z: 46 29.904 2.086 0.602 0.439 0.956 0.489 CB 1.487 46 residues pruned to eliminate duplicates Z: 12 11.209 1.998 0.397 0.434 1.000 0.364 CB 1.296 12 residues pruned to eliminate duplicates Z: 40 27.947 2.101 0.667 0.455 0.872 0.462 CB 1.535 40 residues pruned to eliminate duplicates Z: 24 16.376 1.937 0.472 0.506 0.913 0.609 CB 1.304 24 residues pruned to eliminate duplicates Z: 29 27.594 2.038 0.665 0.624 0.929 0.571 CB 1.472 29 residues pruned to eliminate duplicates Z: 30 25.345 1.996 0.604 0.614 0.931 0.517 CB 1.418 30 residues pruned to eliminate duplicates Z: 40 23.046 1.959 0.490 0.553 0.897 0.615 CB 1.338 40 residues pruned to eliminate duplicates Z: 27 27.088 2.089 0.531 0.658 0.923 0.731 CB 1.554 27 residues pruned to eliminate duplicates Z: 39 27.023 1.933 0.572 0.616 0.921 0.711 CB 1.404 53 residues pruned to eliminate duplicates Z: 10 12.589 1.681 0.519 0.792 1.000 1.000 CB 1.273 Z: 10 12.467 1.710 0.346 0.795 1.000 0.889 CB 1.393 10 residues pruned to eliminate duplicates Z: 23 20.576 1.880 0.385 0.898 0.909 0.682 CB 1.326 33 residues pruned to eliminate duplicates Z: 33 24.183 1.937 0.522 0.697 0.875 0.625 CB 1.385 33 residues pruned to eliminate duplicates Z: 15 22.495 1.848 0.813 0.884 0.929 0.643 CB 1.396 Z: 24 19.906 1.802 0.394 0.884 0.913 0.652 CB 1.307 39 residues pruned to eliminate duplicates Z: 26 22.924 1.829 0.494 0.801 0.960 0.680 CB 1.343 26 residues pruned to eliminate duplicates Z: 24 21.107 1.861 0.358 0.819 0.913 0.783 CB 1.445 24 residues pruned to eliminate duplicates Z: 34 26.066 1.918 0.509 0.730 0.939 0.697 CB 1.357 34 residues pruned to eliminate duplicates Z: 16 18.487 1.850 0.821 0.705 0.867 0.600 CB 1.357 16 residues pruned to eliminate duplicates Z: 19 24.015 1.926 0.524 0.818 0.944 0.722 CB 1.549 19 residues pruned to eliminate duplicates Z: 24 26.075 1.831 0.728 0.832 0.957 0.783 CB 1.348 24 residues pruned to eliminate duplicates Z: 24 22.970 1.868 0.477 0.826 0.957 0.652 CB 1.368 24 residues pruned to eliminate duplicates Z: 34 27.762 1.936 0.635 0.697 0.909 0.697 CB 1.403 34 residues pruned to eliminate duplicates Z: 35 24.713 1.925 0.624 0.728 0.824 0.529 CB 1.341 35 residues pruned to eliminate duplicates Z: 33 27.118 1.967 0.650 0.769 0.875 0.625 CB 1.330 33 residues pruned to eliminate duplicates Z: 24 17.655 1.812 0.590 0.453 0.957 0.609 CB 1.402 24 residues pruned to eliminate duplicates Z: 34 32.739 1.987 0.746 0.784 0.939 0.697 CB 1.362 34 residues pruned to eliminate duplicates Z: 30 32.981 1.999 0.760 0.752 0.966 0.724 CB 1.440 30 residues pruned to eliminate duplicates Z: 29 23.798 1.931 0.601 0.631 0.893 0.607 CB 1.440 29 residues pruned to eliminate duplicates Z: 36 33.521 1.957 0.721 0.781 0.971 0.629 CB 1.352 36 residues pruned to eliminate duplicates Z: 34 26.035 1.890 0.652 0.793 0.879 0.485 CB 1.277 34 residues pruned to eliminate duplicates Z: 35 32.215 1.954 0.770 0.765 0.941 0.559 CB 1.342 35 residues pruned to eliminate duplicates Z: 36 33.577 1.941 0.720 0.782 0.971 0.714 CB 1.365 36 residues pruned to eliminate duplicates Z: 15 14.571 2.010 0.620 0.512 0.857 0.500 CB 1.378 15 residues pruned to eliminate duplicates Z: 36 25.561 1.920 0.666 0.683 0.857 0.600 CB 1.332 36 residues pruned to eliminate duplicates Z: 35 31.495 1.952 0.820 0.770 0.912 0.618 CB 1.313 35 residues pruned to eliminate duplicates Z: 35 33.266 1.961 0.754 0.802 0.941 0.647 CB 1.354 35 residues pruned to eliminate duplicates Z: 38 27.227 1.938 0.719 0.709 0.892 0.541 CB 1.246 38 residues pruned to eliminate duplicates Z: 43 23.266 1.856 0.687 0.628 0.833 0.571 CB 1.220 43 residues pruned to eliminate duplicates Z: 33 26.136 1.965 0.663 0.679 0.875 0.531 CB 1.370 33 residues pruned to eliminate duplicates Z: 64 33.710 1.915 0.631 0.660 0.889 0.603 CB 1.319 84 residues pruned to eliminate duplicates Z: 16 19.063 2.062 0.351 0.808 0.867 0.733 CA 1.559 16 residues pruned to eliminate duplicates Z: 28 22.643 2.004 0.517 0.649 0.926 0.704 CB 1.347 28 residues pruned to eliminate duplicates Z: 28 19.082 2.030 0.191 0.659 0.963 0.778 CB 1.361 28 residues pruned to eliminate duplicates Z: 29 21.402 2.021 0.344 0.582 0.929 0.643 CB 1.482 29 residues pruned to eliminate duplicates Z: 31 18.964 1.971 0.322 0.608 0.867 0.567 CB 1.384 31 residues pruned to eliminate duplicates Z: 17 21.411 2.039 0.338 0.758 1.000 0.875 CA 1.560 17 residues pruned to eliminate duplicates Z: 28 21.799 2.021 0.341 0.665 0.926 0.815 CB 1.435 28 residues pruned to eliminate duplicates Z: 26 25.238 2.062 0.455 0.667 0.960 0.720 CB 1.501 26 residues pruned to eliminate duplicates Z: 26 25.649 2.067 0.392 0.722 0.960 0.800 CB 1.520 26 residues pruned to eliminate duplicates Z: 32 20.365 1.986 0.394 0.591 0.935 0.645 CB 1.294 32 residues pruned to eliminate duplicates Z: 26 23.570 2.071 0.437 0.671 0.920 0.680 CB 1.470 26 residues pruned to eliminate duplicates Z: 27 24.899 2.062 0.480 0.696 0.923 0.692 CB 1.450 27 residues pruned to eliminate duplicates Z: 25 32.295 2.111 0.709 0.737 1.000 0.833 CB 1.477 25 residues pruned to eliminate duplicates Z: 27 26.458 2.079 0.499 0.702 0.962 0.692 CB 1.441 27 residues pruned to eliminate duplicates Z: 27 30.459 2.039 0.651 0.673 1.000 0.692 CB 1.512 27 residues pruned to eliminate duplicates Z: 30 27.647 2.050 0.639 0.637 0.931 0.621 CB 1.443 30 residues pruned to eliminate duplicates Z: 28 27.434 2.015 0.511 0.670 1.000 0.667 CB 1.481 28 residues pruned to eliminate duplicates Z: 28 27.762 2.069 0.528 0.716 0.963 0.741 CB 1.443 28 residues pruned to eliminate duplicates Z: 30 30.875 2.017 0.741 0.662 0.931 0.586 CB 1.508 30 residues pruned to eliminate duplicates Z: 28 29.067 2.039 0.737 0.649 0.889 0.593 CB 1.547 28 residues pruned to eliminate duplicates Z: 27 29.587 2.086 0.624 0.682 0.923 0.654 CB 1.570 27 residues pruned to eliminate duplicates Z: 28 28.662 2.049 0.623 0.708 0.963 0.704 CB 1.426 28 residues pruned to eliminate duplicates Z: 28 29.399 2.069 0.649 0.711 0.963 0.778 CB 1.422 28 residues pruned to eliminate duplicates Z: 27 34.225 2.075 0.683 0.761 1.000 0.731 CB 1.525 27 residues pruned to eliminate duplicates Z: 27 32.155 2.076 0.627 0.770 0.962 0.885 CB 1.529 27 residues pruned to eliminate duplicates Z: 11 5.635 1.517 0.576 0.361 0.700 0.600 CB 1.237 5 residues pruned to eliminate duplicates Z: 7 4.408 1.455 0.509 0.454 0.833 0.667 O 1.031 7 residues pruned to eliminate duplicates Z: 42 26.756 2.023 0.473 0.543 0.927 0.683 CB 1.450 48 residues pruned to eliminate duplicates 6 1.935 1.564 0.168 0.488 1.000 0.600 CB 0.479 ? Z: 6 3.973 1.321 0.444 0.424 1.000 0.800 CA 1.008 6 residues pruned to eliminate duplicates Z: 16 8.657 1.885 0.217 0.404 0.867 0.400 CB 1.244 16 residues pruned to eliminate duplicates Z: 16 7.870 1.735 0.177 0.440 0.933 0.533 CB 1.134 16 residues pruned to eliminate duplicates Z: 39 26.726 2.008 0.541 0.565 0.947 0.632 CB 1.388 39 residues pruned to eliminate duplicates Z: 15 10.098 1.900 0.172 0.503 0.929 0.571 CB 1.302 15 residues pruned to eliminate duplicates Z: 16 28.479 2.042 0.611 0.777 1.000 0.733 N 1.750 16 residues pruned to eliminate duplicates Z: 27 28.341 2.087 0.509 0.670 0.962 0.769 CB 1.569 27 residues pruned to eliminate duplicates Z: 22 24.205 1.949 0.601 0.682 0.905 0.714 CA 1.583 22 residues pruned to eliminate duplicates Z: 26 31.621 2.069 0.609 0.656 1.000 0.720 CA 1.644 26 residues pruned to eliminate duplicates Z: 30 25.032 1.971 0.504 0.615 0.931 0.621 CB 1.511 30 residues pruned to eliminate duplicates Z: 37 27.756 2.053 0.519 0.597 0.944 0.667 CB 1.432 37 residues pruned to eliminate duplicates Z: 28 26.637 1.982 0.501 0.630 0.963 0.741 CB 1.584 28 residues pruned to eliminate duplicates Z: 29 28.418 2.031 0.582 0.601 0.929 0.714 CB 1.635 29 residues pruned to eliminate duplicates Z: 27 34.103 2.101 0.677 0.687 1.000 0.731 CB 1.600 27 residues pruned to eliminate duplicates Z: 30 28.346 2.028 0.594 0.605 0.966 0.655 CB 1.526 30 residues pruned to eliminate duplicates Z: 50 29.283 2.118 0.744 0.459 0.857 0.510 CB 1.378 50 residues pruned to eliminate duplicates Z: 40 22.597 2.081 0.733 0.432 0.846 0.615 CB 1.273 40 residues pruned to eliminate duplicates Z: 23 12.422 1.855 0.723 0.429 0.864 0.545 CB 1.033 23 residues pruned to eliminate duplicates Z: 33 25.484 2.017 0.913 0.497 0.969 0.500 CB 1.208 33 residues pruned to eliminate duplicates Z: 6 3.758 1.262 0.572 0.433 1.000 0.800 CA 0.909 6 residues pruned to eliminate duplicates Z: 18 12.154 1.933 0.765 0.460 0.882 0.647 CB 1.020 18 residues pruned to eliminate duplicates Z: 33 19.757 1.992 0.648 0.486 0.938 0.656 CB 1.151 33 residues pruned to eliminate duplicates Z: 28 12.436 1.923 0.535 0.395 0.926 0.444 CB 0.979 28 residues pruned to eliminate duplicates Z: 11 10.000 1.923 0.474 0.408 1.000 0.700 CB 1.229 11 residues pruned to eliminate duplicates Z: 8 3.162 1.396 0.328 0.438 0.714 0.429 CB 0.961 Z: 6 3.402 1.475 0.413 0.657 0.600 0.400 CB 1.052 6 residues pruned to eliminate duplicates Z: 11 5.979 1.582 0.429 0.546 0.700 0.400 CB 1.142 11 residues pruned to eliminate duplicates Z: 21 8.314 1.490 0.327 0.651 0.900 0.450 CB 0.908 28 residues pruned to eliminate duplicates Z: 7 5.964 1.469 0.641 0.436 1.000 0.333 CB 1.079 7 residues pruned to eliminate duplicates Z: 16 9.268 1.545 0.385 0.695 0.867 0.400 CB 1.080 16 residues pruned to eliminate duplicates Z: 15 8.478 1.532 0.371 0.652 0.857 0.357 CB 1.093 15 residues pruned to eliminate duplicates Z: 21 8.075 1.475 0.495 0.446 0.800 0.350 CB 1.082 21 residues pruned to eliminate duplicates Z: 28 13.473 1.593 0.422 0.491 0.926 0.593 CB 1.247 36 residues pruned to eliminate duplicates Z: 12 9.039 1.493 0.319 0.881 1.000 0.545 CB 1.002 12 residues pruned to eliminate duplicates Z: 11 8.285 1.499 0.463 0.815 0.900 0.500 CB 1.010 11 residues pruned to eliminate duplicates Z: 15 9.975 1.558 0.277 0.753 0.929 0.786 CB 1.152 15 residues pruned to eliminate duplicates Z: 22 10.708 1.552 0.436 0.673 0.952 0.667 CB 0.938 19 residues pruned to eliminate duplicates Z: 13 12.628 1.508 0.590 0.883 1.000 0.667 CB 1.099 13 residues pruned to eliminate duplicates Z: 18 13.978 1.563 0.569 0.729 1.000 0.588 CB 1.124 18 residues pruned to eliminate duplicates Z: 18 9.514 1.540 0.494 0.766 0.824 0.588 CB 0.962 18 residues pruned to eliminate duplicates Z: 23 8.615 1.561 0.308 0.687 0.864 0.636 CB 0.878 23 residues pruned to eliminate duplicates Z: 10 9.330 1.796 0.472 0.377 1.000 0.667 CB 1.341 10 residues pruned to eliminate duplicates Z: 12 5.598 1.682 0.185 0.489 0.909 0.455 CB 0.942 12 residues pruned to eliminate duplicates Z: 15 6.284 1.510 0.294 0.371 0.857 0.429 CB 1.152 15 residues pruned to eliminate duplicates Z: 10 9.676 1.797 0.280 0.589 1.000 0.556 CB 1.288 10 residues pruned to eliminate duplicates Z: 11 8.479 1.664 0.443 0.566 1.000 0.700 CB 1.048 11 residues pruned to eliminate duplicates Z: 8 8.117 1.804 0.358 0.549 1.000 0.714 CB 1.194 8 residues pruned to eliminate duplicates Z: 11 8.005 1.691 0.155 0.592 1.000 0.700 CB 1.187 11 residues pruned to eliminate duplicates Z: 11 6.355 1.539 0.063 0.521 1.000 0.800 CB 1.204 11 residues pruned to eliminate duplicates Z: 10 8.815 1.765 0.210 0.576 1.000 0.667 CB 1.279 10 residues pruned to eliminate duplicates Z: 10 8.898 1.774 0.332 0.497 1.000 0.667 CB 1.259 10 residues pruned to eliminate duplicates Z: 12 6.279 1.688 0.250 0.375 0.818 0.455 CB 1.252 12 residues pruned to eliminate duplicates Z: 10 4.088 1.997 0.210 0.325 0.667 0.556 CB 1.025 Z: 15 15.137 1.801 0.560 0.641 0.929 0.500 CA 1.360 Z: 11 11.810 1.796 0.503 0.655 0.900 0.600 CA 1.331 11 residues pruned to eliminate duplicates Z: 52 23.179 2.121 0.482 0.481 0.765 0.529 CB 1.378 13 residues pruned to eliminate duplicates Z: 10 24.235 1.949 1.138 0.880 1.000 0.333 CA 1.406 10 residues pruned to eliminate duplicates Z: 29 20.245 2.076 0.673 0.470 0.786 0.464 CB 1.446 29 residues pruned to eliminate duplicates Z: 27 22.120 2.135 0.773 0.505 0.808 0.346 CB 1.411 29 residues pruned to eliminate duplicates Z: 10 17.953 1.964 0.835 0.804 1.000 0.556 CA 1.273 10 residues pruned to eliminate duplicates Z: 27 24.902 2.154 0.651 0.549 0.885 0.654 CB 1.479 27 residues pruned to eliminate duplicates Z: 36 22.281 2.125 0.588 0.534 0.771 0.457 CB 1.400 36 residues pruned to eliminate duplicates Z: 29 18.509 2.115 0.516 0.468 0.821 0.429 CB 1.372 29 residues pruned to eliminate duplicates Z: 16 14.615 2.062 0.650 0.454 0.800 0.600 CB 1.453 16 residues pruned to eliminate duplicates Z: 39 18.019 2.004 0.424 0.459 0.868 0.500 CB 1.229 46 residues pruned to eliminate duplicates Z: 6 5.975 1.806 0.329 0.491 1.000 0.600 CA 1.122 6 residues pruned to eliminate duplicates Z: 16 15.777 2.118 0.547 0.427 0.867 0.467 CB 1.547 16 residues pruned to eliminate duplicates Z: 29 17.929 2.039 0.691 0.470 0.750 0.429 CB 1.350 29 residues pruned to eliminate duplicates Z: 16 14.937 2.107 0.436 0.469 0.867 0.600 CB 1.517 16 residues pruned to eliminate duplicates Z: 16 12.133 2.120 0.449 0.454 0.800 0.533 CB 1.336 16 residues pruned to eliminate duplicates Z: 37 17.282 2.010 0.442 0.368 0.806 0.472 CB 1.421 37 residues pruned to eliminate duplicates Z: 60 24.064 2.085 0.522 0.435 0.847 0.525 CB 1.246 60 residues pruned to eliminate duplicates Z: 7 10.476 2.090 0.485 0.648 0.833 0.500 CB 1.440 7 residues pruned to eliminate duplicates Z: 43 25.195 2.136 0.630 0.543 0.833 0.452 CB 1.285 56 residues pruned to eliminate duplicates Z: 9 11.010 1.803 0.587 0.664 0.875 0.625 CB 1.336 9 residues pruned to eliminate duplicates Z: 41 22.314 2.096 0.474 0.466 0.850 0.525 CB 1.391 41 residues pruned to eliminate duplicates Z: 51 25.809 2.073 0.520 0.493 0.840 0.480 CB 1.389 51 residues pruned to eliminate duplicates Z: 38 21.562 2.006 0.426 0.436 0.892 0.514 CB 1.485 38 residues pruned to eliminate duplicates Z: 26 18.944 2.114 0.579 0.484 0.760 0.600 CB 1.518 26 residues pruned to eliminate duplicates Z: 18 11.891 2.137 0.381 0.556 0.765 0.588 CB 1.211 18 residues pruned to eliminate duplicates Z: 11 10.160 2.005 0.346 0.581 0.800 0.600 CB 1.376 11 residues pruned to eliminate duplicates Z: 25 16.236 2.063 0.582 0.405 0.833 0.500 CB 1.346 25 residues pruned to eliminate duplicates Z: 13 9.693 2.155 0.335 0.488 0.750 0.583 CB 1.312 13 residues pruned to eliminate duplicates Z: 12 13.624 2.063 0.547 0.555 0.909 0.455 CB 1.341 12 residues pruned to eliminate duplicates Z: 47 23.364 2.094 0.591 0.392 0.804 0.435 CB 1.442 50 residues pruned to eliminate duplicates Z: 16 20.435 2.105 0.961 0.593 0.867 0.400 CB 1.350 16 residues pruned to eliminate duplicates Z: 10 5.837 1.808 1.190 0.446 0.667 0.222 CB 0.779 10 residues pruned to eliminate duplicates Z: 18 15.604 2.120 0.876 0.445 0.765 0.529 CB 1.318 17 residues pruned to eliminate duplicates Z: 8 14.056 1.719 1.177 0.776 0.857 0.286 CB 1.298 8 residues pruned to eliminate duplicates Z: 19 22.413 2.179 1.055 0.532 0.833 0.500 CB 1.372 19 residues pruned to eliminate duplicates Z: 16 16.230 2.174 0.695 0.520 0.867 0.600 CB 1.286 17 residues pruned to eliminate duplicates Z: 21 24.712 2.062 0.812 0.784 0.900 0.500 CB 1.280 21 residues pruned to eliminate duplicates Z: 33 20.305 2.055 0.619 0.539 0.812 0.594 CB 1.279 31 residues pruned to eliminate duplicates Z: 6 6.333 1.797 0.097 0.394 1.000 0.400 N 1.607 6 residues pruned to eliminate duplicates Z: 14 7.555 1.876 0.198 0.299 0.923 0.538 CB 1.265 14 residues pruned to eliminate duplicates Z: 11 12.262 2.120 0.387 0.355 0.900 0.600 CA 1.714 11 residues pruned to eliminate duplicates Z: 27 19.221 2.110 0.571 0.494 0.885 0.500 CB 1.293 27 residues pruned to eliminate duplicates Z: 17 11.119 1.825 0.460 0.517 0.875 0.562 CB 1.172 17 residues pruned to eliminate duplicates Z: 10 11.519 2.180 0.313 0.433 0.889 0.778 CB 1.616 10 residues pruned to eliminate duplicates Z: 26 22.966 2.158 0.709 0.518 0.880 0.520 CB 1.390 26 residues pruned to eliminate duplicates Z: 48 21.834 1.998 0.592 0.443 0.851 0.426 CB 1.247 48 residues pruned to eliminate duplicates Z: 7 8.069 1.761 0.372 0.766 1.000 0.833 CB 1.077 7 residues pruned to eliminate duplicates Z: 8 7.131 1.598 0.403 0.728 1.000 0.714 CB 0.979 8 residues pruned to eliminate duplicates Z: 10 5.885 1.643 0.470 0.462 0.778 0.556 CB 1.085 10 residues pruned to eliminate duplicates Z: 7 8.919 1.789 0.256 0.768 1.000 0.500 CB 1.278 7 residues pruned to eliminate duplicates 1162 residues left after pruning, divided into chains as follows: A: 6 B: 8 C: 11 D: 15 E: 28 F: 7 G: 22 H: 9 I: 115 J: 16 K: 59 L: 8 M: 91 N: 71 O: 6 P: 305 Q: 92 R: 118 S: 86 T: 31 U: 58 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 34.81 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.496, Connect. = 0.738 for dens.mod. cycle 1 = 0.300, Contrast = 0.564, Connect. = 0.756 for dens.mod. cycle 2 = 0.300, Contrast = 0.663, Connect. = 0.783 for dens.mod. cycle 3 = 0.300, Contrast = 0.667, Connect. = 0.783 for dens.mod. cycle 4 = 0.300, Contrast = 0.673, Connect. = 0.784 for dens.mod. cycle 5 = 0.300, Contrast = 0.674, Connect. = 0.784 for dens.mod. cycle 6 = 0.300, Contrast = 0.677, Connect. = 0.785 for dens.mod. cycle 7 = 0.300, Contrast = 0.678, Connect. = 0.786 for dens.mod. cycle 8 = 0.300, Contrast = 0.680, Connect. = 0.786 for dens.mod. cycle 9 = 0.300, Contrast = 0.680, Connect. = 0.787 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 7382 peaks > 0.5 sigma used to seed fragment search Space for about 1933 unique residues taking solvent into account 1687 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 37.385 2.193 1.208 0.859 1.000 0.846 CA 1.576 B: 13 26.531 2.170 0.595 0.864 1.000 0.750 CA 1.622 13 residues pruned to eliminate duplicates C: 14 31.772 2.140 0.763 0.905 1.000 0.769 CA 1.662 14 residues pruned to eliminate duplicates D: 12 37.288 2.395 0.855 0.877 1.000 0.909 CA 1.838 13 residues pruned to eliminate duplicates E: 13 29.568 2.189 0.988 0.895 1.000 0.667 CA 1.405 13 residues pruned to eliminate duplicates F: 12 28.329 2.163 0.749 0.863 1.000 0.818 CA 1.657 G: 12 26.327 2.129 0.650 0.863 1.000 0.727 CA 1.659 12 residues pruned to eliminate duplicates H: 9 25.535 2.160 0.788 0.877 1.000 0.750 CA 1.697 I: 12 28.180 2.264 0.480 0.868 1.000 0.727 CA 1.854 J: 13 35.789 2.306 0.916 0.889 1.000 0.917 CA 1.683 K: 14 21.755 1.959 0.423 0.876 1.000 0.692 CB 1.574 12 residues pruned to eliminate duplicates L: 31 18.024 2.018 0.455 0.583 0.833 0.533 CB 1.242 M: 13 32.421 2.257 0.967 0.898 1.000 0.833 CA 1.508 13 residues pruned to eliminate duplicates N: 20 34.796 2.071 0.901 0.877 0.947 0.737 CB 1.554 O: 12 35.010 2.321 1.066 0.874 1.000 0.818 CA 1.602 12 residues pruned to eliminate duplicates P: 28 43.989 2.235 0.733 0.935 0.963 0.889 CA 1.582 Q: 12 35.089 2.343 0.816 0.878 1.000 0.818 CA 1.805 12 residues pruned to eliminate duplicates R: 12 27.701 2.287 0.890 0.901 0.909 0.818 CA 1.517 12 residues pruned to eliminate duplicates S: 12 40.225 2.386 0.954 0.929 1.000 1.000 CB 1.820 13 residues pruned to eliminate duplicates T: 11 24.754 2.389 0.420 0.847 1.000 0.800 CA 1.713 13 residues pruned to eliminate duplicates U: 19 35.003 2.123 0.847 0.902 0.944 0.667 CB 1.589 19 residues pruned to eliminate duplicates V: 9 18.721 2.083 0.539 0.826 1.000 1.000 CA 1.558 W: 14 39.685 2.125 1.395 0.917 1.000 0.538 CB 1.527 14 residues pruned to eliminate duplicates X: 13 28.361 2.284 0.843 0.823 0.917 0.833 CA 1.603 13 residues pruned to eliminate duplicates Y: 11 14.473 1.835 0.451 0.761 1.000 0.500 CB 1.363 Z: 14 22.618 2.017 0.801 0.875 0.923 0.692 CB 1.360 Z: 11 21.052 2.293 0.268 0.869 1.000 0.800 CA 1.672 11 residues pruned to eliminate duplicates Z: 24 29.817 2.018 0.642 0.889 0.913 0.565 CB 1.480 Z: 32 38.078 2.136 0.461 0.929 1.000 0.935 CA 1.534 Z: 16 29.669 2.044 0.758 0.921 0.933 0.733 CA 1.607 Z: 13 37.925 2.141 1.522 0.889 0.917 0.500 CA 1.593 13 residues pruned to eliminate duplicates Z: 12 23.149 2.156 1.004 0.885 0.818 0.727 CB 1.425 Z: 29 42.224 2.181 0.716 0.941 0.964 0.929 CA 1.535 28 residues pruned to eliminate duplicates Z: 12 27.001 2.213 0.807 0.814 0.909 0.818 CA 1.703 12 residues pruned to eliminate duplicates Z: 22 41.566 2.223 1.042 0.910 0.952 0.857 CA 1.488 22 residues pruned to eliminate duplicates Z: 24 53.934 2.297 1.120 0.934 0.957 0.522 CB 1.683 31 residues pruned to eliminate duplicates Z: 16 22.371 1.953 0.652 0.797 0.933 0.800 CB 1.479 Z: 9 11.158 2.033 0.246 0.714 0.750 0.500 O 1.711 9 residues pruned to eliminate duplicates Z: 13 30.871 2.219 1.279 0.847 0.750 0.333 CB 1.745 13 residues pruned to eliminate duplicates Z: 30 44.278 2.157 0.822 0.895 0.966 0.793 CA 1.554 29 residues pruned to eliminate duplicates Z: 6 16.806 2.295 0.533 0.786 1.000 0.800 CB 1.661 Z: 12 28.218 2.058 0.797 0.888 1.000 0.818 CA 1.657 12 residues pruned to eliminate duplicates Z: 31 41.001 2.213 0.492 0.925 1.000 0.933 CA 1.590 31 residues pruned to eliminate duplicates Z: 14 34.200 2.154 0.762 0.894 1.000 0.846 CA 1.793 16 residues pruned to eliminate duplicates Z: 12 33.227 2.308 0.638 0.883 1.000 0.545 N 1.916 12 residues pruned to eliminate duplicates Z: 9 16.743 2.001 0.434 0.873 1.000 0.875 CA 1.502 9 residues pruned to eliminate duplicates Z: 14 26.207 2.064 0.721 0.887 0.923 0.846 CA 1.599 14 residues pruned to eliminate duplicates Z: 13 47.217 2.139 1.529 0.907 1.000 0.583 CA 1.791 13 residues pruned to eliminate duplicates Z: 14 19.784 1.939 0.733 0.904 0.923 0.538 CB 1.260 Z: 12 33.286 2.358 0.729 0.920 1.000 0.909 CA 1.734 11 residues pruned to eliminate duplicates Z: 31 45.577 2.229 0.615 0.927 1.000 0.800 CA 1.620 31 residues pruned to eliminate duplicates Z: 13 28.742 2.219 0.574 0.923 0.917 0.333 CB 1.822 13 residues pruned to eliminate duplicates Z: 14 42.199 2.185 1.327 0.887 1.000 0.615 CA 1.660 14 residues pruned to eliminate duplicates Z: 29 18.785 1.914 0.498 0.431 0.893 0.536 CB 1.489 Z: 8 15.080 1.949 0.499 0.905 1.000 1.000 CA 1.389 Z: 17 25.833 2.016 0.525 0.875 1.000 0.812 CA 1.528 Z: 71 51.491 2.265 0.645 0.626 0.929 0.700 CB 1.580 37 residues pruned to eliminate duplicates Z: 15 29.952 2.136 0.650 0.912 1.000 0.643 CB 1.609 16 residues pruned to eliminate duplicates Z: 13 29.646 2.199 0.723 0.846 1.000 0.917 CA 1.678 13 residues pruned to eliminate duplicates Z: 11 23.217 2.283 0.319 0.843 1.000 0.700 CA 1.815 11 residues pruned to eliminate duplicates Z: 8 13.482 1.906 0.203 0.899 1.000 1.000 CB 1.589 8 residues pruned to eliminate duplicates Z: 13 29.216 2.149 0.653 0.894 1.000 0.750 CA 1.703 13 residues pruned to eliminate duplicates Z: 15 19.916 1.914 0.471 0.790 0.929 0.571 N 1.579 15 residues pruned to eliminate duplicates Z: 20 25.312 2.029 0.596 0.826 0.947 0.684 CB 1.428 20 residues pruned to eliminate duplicates Z: 9 15.865 2.030 0.306 0.846 1.000 1.000 CA 1.571 9 residues pruned to eliminate duplicates Z: 12 26.085 2.253 0.725 0.910 0.909 0.727 CA 1.579 12 residues pruned to eliminate duplicates Z: 6 14.897 1.955 0.591 0.884 1.000 1.000 CA 1.548 Z: 24 26.132 1.985 0.530 0.792 0.913 0.652 CA 1.522 24 residues pruned to eliminate duplicates Z: 13 25.743 2.017 0.755 0.897 0.917 0.583 CB 1.640 Z: 6 16.015 2.008 0.585 0.778 1.000 0.800 CA 1.761 Z: 16 26.538 2.017 0.778 0.904 0.933 0.800 CA 1.458 16 residues pruned to eliminate duplicates Z: 6 10.445 1.853 0.668 0.846 1.000 1.000 CA 1.122 Z: 9 18.986 2.059 0.572 0.852 1.000 1.000 CA 1.534 9 residues pruned to eliminate duplicates Z: 12 31.154 2.138 1.219 0.911 1.000 0.818 CB 1.403 12 residues pruned to eliminate duplicates Z: 12 18.663 2.093 0.636 0.768 0.909 0.727 CB 1.426 12 residues pruned to eliminate duplicates Z: 7 18.973 1.987 1.141 0.847 1.000 1.000 CA 1.352 7 residues pruned to eliminate duplicates Z: 31 42.097 2.223 0.495 0.924 1.000 0.967 CA 1.624 31 residues pruned to eliminate duplicates Z: 32 39.738 2.171 0.516 0.907 1.000 0.839 CA 1.541 32 residues pruned to eliminate duplicates Z: 11 17.279 2.164 0.060 0.850 1.000 0.900 CB 1.764 11 residues pruned to eliminate duplicates Z: 30 45.341 2.291 0.554 0.903 1.000 0.655 CB 1.686 30 residues pruned to eliminate duplicates Z: 8 9.193 2.052 0.501 0.400 0.857 0.429 CB 1.463 Z: 18 30.848 2.107 0.751 0.916 0.941 0.765 CB 1.522 18 residues pruned to eliminate duplicates Z: 8 16.080 1.956 0.551 0.838 1.000 0.714 N 1.497 8 residues pruned to eliminate duplicates Z: 19 35.974 2.122 0.966 0.858 0.944 0.833 CB 1.584 20 residues pruned to eliminate duplicates Z: 14 29.471 2.108 0.642 0.922 1.000 1.000 CA 1.661 14 residues pruned to eliminate duplicates Z: 6 12.164 2.003 0.508 0.859 0.800 0.400 N 1.656 7 residues pruned to eliminate duplicates Z: 12 21.260 1.995 0.413 0.881 1.000 0.818 CA 1.647 19 residues pruned to eliminate duplicates Z: 17 25.992 1.960 0.820 0.916 0.938 0.812 CA 1.371 16 residues pruned to eliminate duplicates Z: 15 25.692 1.876 0.990 0.883 1.000 0.571 CB 1.330 15 residues pruned to eliminate duplicates Z: 12 16.586 2.008 0.237 0.846 0.909 0.545 N 1.645 12 residues pruned to eliminate duplicates Z: 15 20.039 1.907 0.515 0.834 0.857 0.714 N 1.622 15 residues pruned to eliminate duplicates Z: 12 23.108 2.187 0.613 0.864 0.818 0.818 CA 1.770 12 residues pruned to eliminate duplicates Z: 11 25.474 2.273 0.837 0.837 0.900 0.700 CB 1.603 11 residues pruned to eliminate duplicates Z: 30 54.665 2.308 0.777 0.925 1.000 0.724 CA 1.737 30 residues pruned to eliminate duplicates Z: 30 53.008 2.283 0.789 0.935 1.000 0.552 CB 1.680 30 residues pruned to eliminate duplicates Z: 20 33.239 2.039 0.865 0.815 1.000 0.684 CB 1.525 20 residues pruned to eliminate duplicates Z: 11 10.652 1.821 0.274 0.777 0.800 0.600 CB 1.422 11 residues pruned to eliminate duplicates Z: 26 43.552 2.193 0.932 0.885 0.960 0.640 CA 1.547 26 residues pruned to eliminate duplicates Z: 9 17.482 2.119 0.412 0.846 1.000 0.750 CB 1.534 Z: 46 39.712 2.324 0.695 0.463 0.911 0.578 CB 1.713 25 residues pruned to eliminate duplicates Z: 20 26.633 2.049 0.769 0.876 0.842 0.632 CB 1.455 21 residues pruned to eliminate duplicates Z: 9 19.861 2.082 1.024 0.901 0.875 0.625 CB 1.359 8 residues pruned to eliminate duplicates Z: 10 23.013 2.051 0.819 0.854 1.000 0.778 CB 1.520 9 residues pruned to eliminate duplicates Z: 17 21.619 1.917 0.393 0.842 1.000 0.812 CA 1.509 Z: 8 22.853 2.156 0.757 0.873 1.000 0.714 CB 1.660 8 residues pruned to eliminate duplicates Z: 7 8.761 1.926 0.512 0.803 0.833 0.833 CA 1.130 6 residues pruned to eliminate duplicates Z: 14 21.660 2.051 0.473 0.868 0.923 0.538 N 1.575 14 residues pruned to eliminate duplicates Z: 30 23.987 2.031 0.706 0.463 0.862 0.414 CB 1.548 12 residues pruned to eliminate duplicates Z: 30 43.408 2.036 1.008 0.906 0.966 0.759 CB 1.452 30 residues pruned to eliminate duplicates Z: 13 20.832 2.114 0.523 0.887 1.000 0.833 CA 1.346 13 residues pruned to eliminate duplicates Z: 16 34.554 2.129 0.850 0.909 0.933 0.800 CA 1.723 16 residues pruned to eliminate duplicates Z: 11 33.729 2.349 1.084 0.892 0.900 0.500 CA 1.739 11 residues pruned to eliminate duplicates Z: 13 45.211 2.270 1.380 0.920 1.000 0.750 CA 1.702 13 residues pruned to eliminate duplicates Z: 27 37.884 2.005 0.731 0.911 1.000 0.615 CB 1.517 Z: 16 17.249 1.865 0.479 0.776 0.933 0.600 CB 1.356 9 residues pruned to eliminate duplicates Z: 9 9.596 1.780 0.400 0.581 0.875 0.625 CB 1.438 Z: 11 17.818 2.276 0.088 0.829 1.000 0.900 CB 1.711 11 residues pruned to eliminate duplicates Z: 11 36.835 2.396 1.313 0.900 1.000 0.600 CB 1.501 11 residues pruned to eliminate duplicates Z: 24 34.882 2.024 0.735 0.896 0.913 0.739 CA 1.625 24 residues pruned to eliminate duplicates Z: 20 17.181 2.237 0.496 0.332 0.895 0.579 CB 1.583 8 residues pruned to eliminate duplicates Z: 42 54.188 2.205 0.886 0.860 0.951 0.366 CB 1.573 43 residues pruned to eliminate duplicates Z: 10 20.085 1.889 1.143 0.856 0.889 0.556 CB 1.372 10 residues pruned to eliminate duplicates Z: 16 14.415 1.816 0.443 0.691 0.933 0.667 CB 1.278 11 residues pruned to eliminate duplicates Z: 13 21.577 2.029 0.603 0.913 1.000 0.917 CA 1.356 13 residues pruned to eliminate duplicates Z: 15 24.889 2.079 0.550 0.914 0.929 0.929 CA 1.572 16 residues pruned to eliminate duplicates Z: 12 11.758 1.786 0.173 0.867 0.909 0.818 CA 1.361 Z: 29 48.279 2.082 1.092 0.938 0.964 0.643 CB 1.510 20 residues pruned to eliminate duplicates Z: 7 12.418 2.040 0.601 0.829 1.000 0.833 CA 1.168 7 residues pruned to eliminate duplicates Z: 7 11.722 1.982 0.292 0.826 1.000 0.833 CA 1.408 7 residues pruned to eliminate duplicates Z: 30 46.351 2.163 0.701 0.934 1.000 0.897 CA 1.632 31 residues pruned to eliminate duplicates Z: 25 31.308 2.023 0.600 0.877 0.917 0.667 CA 1.564 24 residues pruned to eliminate duplicates Z: 16 21.618 1.891 0.617 0.825 0.933 0.800 CB 1.476 16 residues pruned to eliminate duplicates Z: 10 14.502 1.869 0.649 0.771 0.889 0.667 CB 1.388 10 residues pruned to eliminate duplicates Z: 15 27.278 2.022 0.796 0.861 1.000 0.929 CB 1.476 15 residues pruned to eliminate duplicates Z: 6 10.662 1.569 0.936 0.780 1.000 0.600 CA 1.227 6 residues pruned to eliminate duplicates Z: 22 41.281 2.115 1.036 0.924 0.952 0.571 CB 1.542 22 residues pruned to eliminate duplicates Z: 77 43.550 2.225 0.552 0.514 0.921 0.566 CB 1.548 63 residues pruned to eliminate duplicates Z: 17 25.647 2.026 0.627 0.875 0.938 0.812 CB 1.509 Z: 82 70.744 2.351 0.867 0.616 0.951 0.741 CA 1.689 82 residues pruned to eliminate duplicates Z: 12 23.091 2.068 0.733 0.804 0.909 0.727 N 1.638 12 residues pruned to eliminate duplicates Z: 8 11.442 2.070 0.362 0.836 0.857 0.857 CA 1.339 8 residues pruned to eliminate duplicates Z: 19 23.170 1.819 0.555 0.864 0.944 0.778 CB 1.498 18 residues pruned to eliminate duplicates Z: 29 38.931 1.989 0.648 0.919 0.964 0.714 CB 1.640 27 residues pruned to eliminate duplicates Z: 12 19.192 2.008 0.588 0.808 0.909 0.545 CB 1.527 12 residues pruned to eliminate duplicates Z: 8 17.134 1.905 0.771 0.865 1.000 1.000 N 1.407 8 residues pruned to eliminate duplicates Z: 9 17.033 1.949 0.571 0.767 1.000 0.625 N 1.552 9 residues pruned to eliminate duplicates Z: 13 34.102 2.274 1.031 0.836 1.000 0.750 CA 1.596 13 residues pruned to eliminate duplicates Z: 7 15.318 2.135 0.588 0.871 0.833 0.833 CA 1.615 Z: 13 25.814 2.082 0.587 0.903 1.000 0.917 CB 1.607 13 residues pruned to eliminate duplicates Z: 7 15.533 2.013 0.637 0.827 1.000 0.833 N 1.450 7 residues pruned to eliminate duplicates Z: 28 55.262 2.211 1.091 0.916 0.963 0.667 CB 1.687 28 residues pruned to eliminate duplicates Z: 7 16.042 1.847 0.685 0.872 1.000 1.000 CB 1.534 7 residues pruned to eliminate duplicates Z: 9 8.691 1.524 0.561 0.769 0.875 0.875 CA 1.163 7 residues pruned to eliminate duplicates Z: 29 39.282 1.958 0.680 0.910 1.000 0.786 CB 1.600 28 residues pruned to eliminate duplicates Z: 12 14.528 1.905 0.288 0.893 0.818 0.636 CA 1.567 12 residues pruned to eliminate duplicates Z: 20 39.889 2.023 0.952 0.918 0.947 0.632 CA 1.725 20 residues pruned to eliminate duplicates Z: 28 17.215 1.999 0.447 0.482 0.926 0.481 CB 1.259 7 residues pruned to eliminate duplicates Z: 28 41.687 2.055 0.859 0.902 0.963 0.815 CB 1.556 28 residues pruned to eliminate duplicates Z: 66 42.149 2.237 0.706 0.491 0.862 0.492 CB 1.605 66 residues pruned to eliminate duplicates Z: 43 47.170 2.154 0.881 0.864 0.857 0.667 CB 1.537 43 residues pruned to eliminate duplicates Z: 25 43.514 2.140 0.947 0.898 0.917 0.708 CA 1.664 25 residues pruned to eliminate duplicates Z: 17 22.310 1.957 0.403 0.841 1.000 0.812 CA 1.515 17 residues pruned to eliminate duplicates Z: 30 41.978 2.294 0.437 0.935 1.000 0.862 CA 1.648 30 residues pruned to eliminate duplicates Z: 14 27.821 2.023 0.607 0.911 1.000 0.769 CA 1.681 14 residues pruned to eliminate duplicates Z: 18 19.297 1.898 0.545 0.819 0.824 0.588 CB 1.469 18 residues pruned to eliminate duplicates Z: 21 25.811 2.003 0.605 0.863 0.900 0.700 CB 1.464 22 residues pruned to eliminate duplicates Z: 30 38.864 1.942 0.752 0.902 0.966 0.655 CA 1.567 30 residues pruned to eliminate duplicates Z: 17 16.726 1.884 0.070 0.914 1.000 0.938 CA 1.467 17 residues pruned to eliminate duplicates Z: 24 46.448 2.204 0.896 0.948 0.957 0.565 CB 1.674 24 residues pruned to eliminate duplicates Z: 23 26.821 2.036 0.565 0.864 0.818 0.773 CB 1.608 23 residues pruned to eliminate duplicates Z: 29 46.428 2.165 1.017 0.925 0.929 0.357 CB 1.518 29 residues pruned to eliminate duplicates Z: 28 53.420 2.232 1.155 0.929 0.926 0.593 CA 1.616 28 residues pruned to eliminate duplicates Z: 7 12.611 1.961 0.164 0.881 1.000 1.000 CB 1.635 7 residues pruned to eliminate duplicates Z: 21 29.527 1.970 0.818 0.809 0.950 0.500 CB 1.482 20 residues pruned to eliminate duplicates Z: 9 13.918 1.939 0.559 0.863 1.000 0.625 CB 1.194 Z: 13 43.659 2.321 1.220 0.913 1.000 0.750 CA 1.732 13 residues pruned to eliminate duplicates Z: 16 22.919 1.966 0.612 0.913 0.933 0.800 CB 1.416 16 residues pruned to eliminate duplicates Z: 13 25.693 2.090 0.501 0.929 1.000 1.000 CB 1.655 13 residues pruned to eliminate duplicates Z: 29 34.771 2.126 0.929 0.862 0.857 0.500 CB 1.372 29 residues pruned to eliminate duplicates Z: 17 22.701 1.927 0.596 0.825 0.938 0.812 CB 1.486 16 residues pruned to eliminate duplicates Z: 14 13.704 1.978 0.062 0.896 1.000 1.000 CB 1.295 14 residues pruned to eliminate duplicates Z: 24 25.510 2.076 0.340 0.851 0.913 0.826 CB 1.550 24 residues pruned to eliminate duplicates Z: 99 65.695 2.262 0.733 0.621 0.929 0.643 CA 1.627 99 residues pruned to eliminate duplicates Z: 22 25.890 1.928 0.848 0.843 0.857 0.714 CB 1.377 22 residues pruned to eliminate duplicates Z: 8 19.317 2.063 0.942 0.843 0.857 0.571 CB 1.583 8 residues pruned to eliminate duplicates Z: 20 29.889 1.983 0.884 0.934 0.947 0.526 CA 1.351 18 residues pruned to eliminate duplicates Z: 31 53.375 2.143 1.013 0.919 1.000 0.767 CA 1.591 32 residues pruned to eliminate duplicates Z: 14 27.816 2.170 0.649 0.896 0.923 0.769 CA 1.673 15 residues pruned to eliminate duplicates Z: 10 15.668 2.191 0.149 0.845 0.889 0.889 CB 1.736 10 residues pruned to eliminate duplicates Z: 15 30.586 2.076 0.856 0.916 1.000 0.786 CB 1.498 16 residues pruned to eliminate duplicates Z: 20 26.915 1.954 0.728 0.865 0.947 0.632 CB 1.414 20 residues pruned to eliminate duplicates Z: 14 22.425 1.978 0.813 0.875 0.923 0.769 CB 1.366 14 residues pruned to eliminate duplicates Z: 14 20.183 1.868 0.419 0.934 1.000 1.000 CB 1.473 Z: 28 47.658 2.195 1.075 0.933 1.000 0.481 CB 1.405 28 residues pruned to eliminate duplicates Z: 11 12.418 1.977 0.611 0.792 0.600 0.300 CB 1.591 11 residues pruned to eliminate duplicates Z: 6 13.121 2.082 0.751 0.786 1.000 0.600 CB 1.252 Z: 12 24.949 2.161 0.548 0.890 1.000 0.818 CB 1.618 13 residues pruned to eliminate duplicates Z: 29 47.115 2.190 0.979 0.924 0.929 0.607 CB 1.554 29 residues pruned to eliminate duplicates Z: 12 11.796 1.842 0.015 0.834 1.000 0.636 CA 1.426 12 residues pruned to eliminate duplicates Z: 9 14.136 1.784 0.416 0.794 1.000 0.625 CB 1.528 8 residues pruned to eliminate duplicates Z: 12 19.960 1.961 0.755 0.922 1.000 0.455 CB 1.230 Z: 28 41.526 2.005 0.839 0.920 0.963 0.704 CB 1.586 29 residues pruned to eliminate duplicates Z: 26 18.741 2.084 0.452 0.490 0.840 0.600 CB 1.489 21 residues pruned to eliminate duplicates Z: 18 19.629 1.930 0.438 0.830 0.941 0.941 CB 1.371 18 residues pruned to eliminate duplicates Z: 8 29.874 2.372 0.906 0.913 1.000 1.000 CB 1.768 8 residues pruned to eliminate duplicates Z: 51 34.621 2.176 0.641 0.564 0.920 0.620 CB 1.400 38 residues pruned to eliminate duplicates Z: 17 26.362 1.976 0.565 0.883 1.000 1.000 CB 1.541 17 residues pruned to eliminate duplicates Z: 7 20.320 2.253 0.682 0.866 1.000 1.000 CB 1.603 7 residues pruned to eliminate duplicates Z: 22 29.022 1.970 0.594 0.922 1.000 0.667 CB 1.419 22 residues pruned to eliminate duplicates Z: 13 42.915 2.302 1.139 0.932 1.000 0.750 CA 1.758 13 residues pruned to eliminate duplicates Z: 15 24.321 1.993 0.459 0.820 1.000 0.714 CB 1.693 14 residues pruned to eliminate duplicates Z: 12 19.974 2.089 0.484 0.830 1.000 0.727 CA 1.460 12 residues pruned to eliminate duplicates Z: 27 35.870 2.006 0.751 0.908 0.923 0.577 CB 1.540 27 residues pruned to eliminate duplicates Z: 17 24.043 2.052 0.597 0.811 0.938 0.688 CA 1.492 15 residues pruned to eliminate duplicates Z: 13 8.064 1.932 0.181 0.491 1.000 0.833 CB 1.029 Z: 31 24.519 1.964 0.589 0.620 0.867 0.700 CB 1.478 17 residues pruned to eliminate duplicates Z: 17 26.110 1.995 0.706 0.893 0.938 0.688 CB 1.469 16 residues pruned to eliminate duplicates Z: 24 28.360 2.018 0.433 0.921 0.957 0.870 CB 1.505 23 residues pruned to eliminate duplicates Z: 24 33.968 2.078 0.668 0.861 0.913 0.826 CB 1.645 24 residues pruned to eliminate duplicates Z: 11 18.625 1.822 0.752 0.907 1.000 0.500 CB 1.312 Z: 24 26.816 2.058 0.262 0.912 0.957 0.957 CB 1.594 24 residues pruned to eliminate duplicates Z: 8 15.823 1.873 0.628 0.819 1.000 0.857 CA 1.487 8 residues pruned to eliminate duplicates Z: 15 24.006 2.085 0.387 0.888 1.000 1.000 CA 1.599 16 residues pruned to eliminate duplicates Z: 28 35.159 1.986 0.561 0.881 0.963 0.741 CB 1.642 28 residues pruned to eliminate duplicates Z: 10 8.924 1.687 0.698 0.409 0.889 0.556 CB 1.285 10 residues pruned to eliminate duplicates Z: 13 43.884 2.263 1.292 0.921 1.000 0.417 CB 1.719 13 residues pruned to eliminate duplicates Z: 11 20.711 2.153 0.640 0.805 1.000 0.600 CA 1.421 11 residues pruned to eliminate duplicates Z: 11 20.415 1.817 1.106 0.914 1.000 0.700 CB 1.193 10 residues pruned to eliminate duplicates Z: 6 9.785 2.136 0.442 0.670 0.800 0.600 CB 1.518 6 residues pruned to eliminate duplicates Z: 12 21.716 2.183 0.360 0.922 0.909 0.727 CB 1.706 12 residues pruned to eliminate duplicates Z: 11 26.606 2.264 0.619 0.853 1.000 0.800 CB 1.697 11 residues pruned to eliminate duplicates Z: 17 22.618 2.033 0.435 0.886 0.938 0.812 CA 1.491 17 residues pruned to eliminate duplicates Z: 16 22.592 2.047 0.657 0.756 0.933 0.600 CB 1.467 16 residues pruned to eliminate duplicates Z: 18 11.699 1.829 0.463 0.451 0.765 0.471 CB 1.458 Z: 17 31.989 1.941 0.982 0.914 0.938 0.750 CB 1.568 17 residues pruned to eliminate duplicates Z: 23 37.511 2.138 0.684 0.926 0.955 0.909 CB 1.632 24 residues pruned to eliminate duplicates Z: 10 20.210 1.914 0.883 0.910 0.889 0.778 CB 1.491 10 residues pruned to eliminate duplicates Z: 6 3.137 1.809 0.442 0.452 0.600 0.600 CB 0.941 Z: 16 18.644 1.903 0.512 0.754 1.000 0.333 CB 1.335 16 residues pruned to eliminate duplicates Z: 17 26.537 1.987 0.623 0.886 1.000 0.750 CB 1.485 17 residues pruned to eliminate duplicates Z: 8 18.275 2.284 0.317 0.892 1.000 0.857 CB 1.649 8 residues pruned to eliminate duplicates Z: 14 21.127 1.919 0.412 0.906 1.000 0.846 CB 1.538 14 residues pruned to eliminate duplicates Z: 30 55.016 2.288 0.871 0.945 1.000 0.759 CA 1.652 30 residues pruned to eliminate duplicates Z: 10 13.225 1.917 0.694 0.762 0.778 0.444 CA 1.384 10 residues pruned to eliminate duplicates Z: 24 48.818 2.186 1.133 0.875 1.000 0.652 CB 1.588 24 residues pruned to eliminate duplicates Z: 30 24.273 2.060 0.524 0.562 0.931 0.586 CB 1.452 12 residues pruned to eliminate duplicates Z: 17 23.298 1.981 0.602 0.857 0.938 0.875 CA 1.443 17 residues pruned to eliminate duplicates Z: 9 13.722 2.092 0.283 0.878 0.750 0.500 CB 1.748 9 residues pruned to eliminate duplicates Z: 22 32.076 2.072 0.702 0.920 0.905 0.667 CB 1.544 22 residues pruned to eliminate duplicates Z: 59 31.260 2.013 0.619 0.520 0.914 0.655 CB 1.351 48 residues pruned to eliminate duplicates Z: 29 54.701 2.240 0.959 0.945 1.000 0.857 CB 1.630 29 residues pruned to eliminate duplicates Z: 30 49.894 2.273 0.735 0.939 0.966 0.655 CA 1.692 30 residues pruned to eliminate duplicates Z: 27 47.040 2.209 0.892 0.933 1.000 0.692 CA 1.540 27 residues pruned to eliminate duplicates Z: 15 10.798 1.789 0.371 0.532 0.857 0.643 CB 1.331 15 residues pruned to eliminate duplicates Z: 66 27.771 1.874 0.476 0.536 0.862 0.554 CB 1.394 46 residues pruned to eliminate duplicates Z: 8 9.860 1.947 0.301 0.565 0.857 0.857 CB 1.613 8 residues pruned to eliminate duplicates Z: 12 19.280 1.968 0.865 0.900 0.909 0.545 CB 1.244 12 residues pruned to eliminate duplicates Z: 49 31.723 2.013 0.689 0.519 0.979 0.583 CB 1.350 49 residues pruned to eliminate duplicates Z: 59 33.174 2.135 0.729 0.430 0.897 0.517 CB 1.415 59 residues pruned to eliminate duplicates Z: 13 20.916 1.882 0.862 0.890 0.917 0.667 CB 1.353 Z: 13 16.521 1.964 0.156 0.909 1.000 0.917 CB 1.491 13 residues pruned to eliminate duplicates Z: 28 21.475 2.085 0.683 0.491 0.852 0.519 CB 1.394 28 residues pruned to eliminate duplicates Z: 10 10.867 2.128 0.382 0.398 0.889 0.667 CB 1.543 Z: 31 29.258 2.103 0.983 0.556 0.933 0.533 CB 1.299 24 residues pruned to eliminate duplicates Z: 31 47.906 2.218 0.718 0.944 1.000 0.767 CA 1.590 31 residues pruned to eliminate duplicates Z: 20 27.188 2.045 0.746 0.789 0.947 0.579 CB 1.431 20 residues pruned to eliminate duplicates Z: 12 15.242 1.853 0.417 0.877 1.000 0.818 CB 1.271 12 residues pruned to eliminate duplicates Z: 10 15.518 1.942 0.363 0.904 0.889 0.778 N 1.565 10 residues pruned to eliminate duplicates Z: 29 31.850 1.937 0.486 0.913 0.964 0.821 CA 1.535 29 residues pruned to eliminate duplicates Z: 24 18.187 1.767 0.856 0.841 0.783 0.391 CB 1.102 Z: 12 22.678 2.171 0.493 0.880 0.909 0.818 CA 1.682 12 residues pruned to eliminate duplicates Z: 17 24.374 2.020 0.536 0.892 0.938 0.938 CA 1.505 21 residues pruned to eliminate duplicates Z: 49 36.141 2.040 0.626 0.654 0.875 0.646 CB 1.557 49 residues pruned to eliminate duplicates Z: 31 50.551 2.223 0.856 0.934 0.967 0.467 CB 1.613 31 residues pruned to eliminate duplicates Z: 9 7.513 1.871 0.207 0.481 0.875 0.750 CB 1.370 9 residues pruned to eliminate duplicates Z: 29 45.997 2.066 0.886 0.939 1.000 0.857 CB 1.550 29 residues pruned to eliminate duplicates Z: 24 28.233 2.030 0.410 0.928 0.957 0.913 CB 1.505 24 residues pruned to eliminate duplicates Z: 46 24.862 1.757 0.665 0.642 0.889 0.689 CB 1.248 24 residues pruned to eliminate duplicates Z: 8 14.546 1.935 0.577 0.722 1.000 0.714 CB 1.474 8 residues pruned to eliminate duplicates Z: 11 9.074 1.971 0.527 0.369 0.800 0.600 CB 1.371 12 residues pruned to eliminate duplicates Z: 19 34.641 2.259 1.155 0.603 0.944 0.500 CB 1.609 19 residues pruned to eliminate duplicates Z: 25 32.280 2.035 0.482 0.894 0.958 0.833 CB 1.635 25 residues pruned to eliminate duplicates Z: 18 21.705 1.913 0.487 0.865 0.941 0.706 CB 1.440 17 residues pruned to eliminate duplicates Z: 17 9.133 1.829 0.521 0.346 0.875 0.438 CB 1.108 Z: 29 47.946 2.265 0.688 0.947 1.000 0.786 CA 1.637 29 residues pruned to eliminate duplicates Z: 14 19.895 1.903 0.687 0.919 1.000 0.923 CB 1.211 14 residues pruned to eliminate duplicates Z: 9 14.908 2.005 0.587 0.764 0.875 0.625 CB 1.498 9 residues pruned to eliminate duplicates Z: 16 26.810 1.942 0.755 0.816 1.000 0.800 CA 1.543 16 residues pruned to eliminate duplicates Z: 28 41.494 1.963 0.951 0.935 1.000 0.333 CB 1.453 29 residues pruned to eliminate duplicates Z: 12 35.341 2.246 1.128 0.918 1.000 0.545 CB 1.573 12 residues pruned to eliminate duplicates Z: 16 23.820 2.028 0.667 0.811 0.933 0.867 CB 1.487 16 residues pruned to eliminate duplicates Z: 10 15.439 1.941 0.558 0.877 0.889 0.778 CA 1.391 14 residues pruned to eliminate duplicates Z: 7 13.004 2.035 0.119 0.839 1.000 1.000 CB 1.742 7 residues pruned to eliminate duplicates Z: 29 37.562 1.982 0.772 0.900 0.929 0.571 CB 1.556 29 residues pruned to eliminate duplicates Z: 23 15.268 1.876 0.743 0.379 0.955 0.591 CB 1.187 23 residues pruned to eliminate duplicates Z: 28 34.347 1.994 0.561 0.921 0.926 0.778 CA 1.615 28 residues pruned to eliminate duplicates Z: 9 8.695 2.087 0.008 0.648 0.875 0.750 CB 1.455 Z: 9 10.467 1.505 0.794 0.820 0.875 0.875 CA 1.187 9 residues pruned to eliminate duplicates Z: 8 10.003 1.607 0.697 0.717 1.000 0.571 CA 1.140 8 residues pruned to eliminate duplicates Z: 31 50.557 2.234 0.832 0.922 1.000 0.900 CA 1.586 31 residues pruned to eliminate duplicates Z: 29 38.837 2.099 0.795 0.900 1.000 0.893 CA 1.391 29 residues pruned to eliminate duplicates Z: 12 25.868 2.166 0.719 0.885 0.909 0.545 CB 1.664 12 residues pruned to eliminate duplicates Z: 52 27.449 2.042 0.496 0.510 0.882 0.608 CB 1.413 52 residues pruned to eliminate duplicates Z: 28 33.626 1.956 0.547 0.910 0.963 0.815 CB 1.575 28 residues pruned to eliminate duplicates Z: 17 31.214 1.975 0.925 0.916 1.000 0.875 CB 1.449 17 residues pruned to eliminate duplicates Z: 9 10.408 1.561 0.901 0.772 0.875 0.625 CB 1.115 9 residues pruned to eliminate duplicates Z: 11 7.321 1.757 0.268 0.399 0.800 0.600 N 1.445 11 residues pruned to eliminate duplicates Z: 7 20.202 1.864 1.375 0.802 1.000 0.833 CB 1.431 7 residues pruned to eliminate duplicates Z: 12 15.373 1.809 0.483 0.865 1.000 0.727 CB 1.266 Z: 12 21.576 1.768 0.967 0.909 1.000 0.545 CB 1.328 12 residues pruned to eliminate duplicates Z: 7 14.576 2.106 0.462 0.705 1.000 0.667 CA 1.604 7 residues pruned to eliminate duplicates Z: 12 17.334 2.028 0.344 0.835 0.909 0.545 N 1.580 12 residues pruned to eliminate duplicates Z: 18 16.735 1.886 0.167 0.869 0.882 0.824 CA 1.527 18 residues pruned to eliminate duplicates Z: 94 50.530 2.206 0.575 0.603 0.914 0.699 CB 1.496 94 residues pruned to eliminate duplicates Z: 106 67.391 2.246 0.946 0.581 0.886 0.524 CB 1.572 106 residues pruned to eliminate duplicates Z: 25 38.429 2.041 0.778 0.900 1.000 0.583 CA 1.544 25 residues pruned to eliminate duplicates Z: 29 44.039 2.031 1.036 0.903 0.964 0.464 CB 1.488 29 residues pruned to eliminate duplicates Z: 31 36.787 1.969 1.038 0.920 0.933 0.500 CB 1.262 30 residues pruned to eliminate duplicates Z: 39 25.367 2.106 0.607 0.474 0.842 0.500 CB 1.483 32 residues pruned to eliminate duplicates Z: 11 16.688 2.178 0.216 0.858 1.000 0.800 CA 1.467 11 residues pruned to eliminate duplicates Z: 6 4.291 1.873 0.170 0.789 0.800 0.800 CB 0.850 Z: 11 16.009 1.854 0.407 0.893 1.000 0.900 CB 1.394 9 residues pruned to eliminate duplicates Z: 16 17.462 1.959 0.492 0.885 0.933 0.733 CB 1.193 16 residues pruned to eliminate duplicates Z: 8 11.786 1.975 0.289 0.870 0.857 0.714 CB 1.490 8 residues pruned to eliminate duplicates Z: 12 14.640 1.845 0.386 0.827 0.909 0.818 CA 1.431 12 residues pruned to eliminate duplicates Z: 7 6.245 1.767 0.503 0.379 0.833 0.667 O 1.310 7 residues pruned to eliminate duplicates Z: 6 2.182 1.812 0.300 0.419 0.800 0.600 CB 0.564 Z: 13 36.402 2.188 1.314 0.925 1.000 0.667 CB 1.456 13 residues pruned to eliminate duplicates Z: 30 50.210 2.272 0.718 0.923 1.000 0.724 CB 1.678 30 residues pruned to eliminate duplicates Z: 24 34.970 2.035 0.919 0.914 0.913 0.348 CB 1.446 24 residues pruned to eliminate duplicates Z: 12 17.054 2.069 0.111 0.841 1.000 0.545 CA 1.667 12 residues pruned to eliminate duplicates Z: 30 53.742 2.153 1.100 0.929 1.000 0.483 CB 1.545 31 residues pruned to eliminate duplicates Z: 17 31.122 2.055 0.724 0.912 0.938 0.625 CB 1.659 17 residues pruned to eliminate duplicates Z: 8 16.807 1.923 0.591 0.834 1.000 0.857 CB 1.557 8 residues pruned to eliminate duplicates Z: 52 36.676 2.233 0.653 0.437 0.922 0.569 CB 1.611 52 residues pruned to eliminate duplicates Z: 45 28.773 2.007 0.662 0.558 0.932 0.523 CB 1.319 45 residues pruned to eliminate duplicates Z: 12 23.738 2.043 1.035 0.871 1.000 0.727 CB 1.256 12 residues pruned to eliminate duplicates Z: 12 19.318 1.951 0.645 0.875 1.000 0.636 CB 1.320 12 residues pruned to eliminate duplicates Z: 13 36.056 2.219 1.015 0.930 1.000 0.833 CB 1.627 13 residues pruned to eliminate duplicates Z: 28 19.389 2.005 0.335 0.536 0.926 0.593 CB 1.452 22 residues pruned to eliminate duplicates Z: 32 22.222 1.961 0.371 0.583 0.903 0.645 CB 1.517 29 residues pruned to eliminate duplicates Z: 21 23.492 2.002 0.480 0.833 0.950 0.750 CB 1.400 21 residues pruned to eliminate duplicates Z: 14 12.068 1.802 0.099 0.882 0.923 0.692 CB 1.326 Z: 9 12.498 1.944 0.204 0.826 1.000 0.750 CA 1.423 9 residues pruned to eliminate duplicates Z: 41 41.192 2.066 0.810 0.737 0.950 0.625 CB 1.483 24 residues pruned to eliminate duplicates Z: 8 18.891 1.885 0.800 0.899 1.000 1.000 CB 1.505 8 residues pruned to eliminate duplicates Z: 67 32.852 2.146 0.612 0.461 0.924 0.485 CB 1.315 67 residues pruned to eliminate duplicates Z: 12 45.972 2.339 1.617 0.939 1.000 0.545 CB 1.574 12 residues pruned to eliminate duplicates Z: 14 21.218 1.942 0.662 0.906 0.923 0.923 CA 1.404 14 residues pruned to eliminate duplicates Z: 32 28.406 2.200 0.691 0.534 0.871 0.645 CB 1.523 26 residues pruned to eliminate duplicates Z: 12 9.776 2.012 0.408 0.386 1.000 0.636 CB 1.175 7 residues pruned to eliminate duplicates Z: 14 16.842 1.884 0.626 0.865 0.923 0.385 CB 1.210 14 residues pruned to eliminate duplicates Z: 6 11.829 1.966 0.349 0.793 1.000 0.800 CB 1.543 6 residues pruned to eliminate duplicates Z: 14 22.135 2.116 0.598 0.838 0.846 0.769 CA 1.603 14 residues pruned to eliminate duplicates Z: 29 44.095 2.026 0.902 0.924 1.000 0.750 CB 1.519 29 residues pruned to eliminate duplicates Z: 12 11.111 1.979 0.420 0.352 1.000 0.545 CB 1.400 12 residues pruned to eliminate duplicates Z: 9 19.054 2.066 0.495 0.828 1.000 0.750 CA 1.642 9 residues pruned to eliminate duplicates Z: 30 49.120 2.310 0.623 0.951 1.000 0.966 CA 1.677 30 residues pruned to eliminate duplicates Z: 23 20.069 1.824 0.547 0.910 0.955 0.773 CB 1.126 15 residues pruned to eliminate duplicates Z: 15 28.796 2.124 0.701 0.874 0.929 0.857 CA 1.670 16 residues pruned to eliminate duplicates Z: 8 9.990 1.893 0.763 0.631 0.857 0.571 CB 1.167 Z: 11 20.663 1.964 0.882 0.923 1.000 0.700 CB 1.242 11 residues pruned to eliminate duplicates Z: 6 6.084 1.887 0.059 0.628 0.800 0.600 CB 1.509 6 residues pruned to eliminate duplicates Z: 31 50.088 2.259 0.754 0.937 1.000 0.833 CB 1.605 31 residues pruned to eliminate duplicates Z: 6 4.464 1.916 0.622 0.368 0.600 0.600 CB 1.233 6 residues pruned to eliminate duplicates Z: 25 27.500 2.032 0.493 0.855 0.875 0.833 CB 1.561 25 residues pruned to eliminate duplicates Z: 13 22.785 1.971 0.700 0.934 1.000 0.833 CB 1.369 13 residues pruned to eliminate duplicates Z: 10 17.806 1.869 0.632 0.867 1.000 0.889 CB 1.424 Z: 11 18.158 2.033 0.588 0.875 1.000 0.900 CA 1.293 12 residues pruned to eliminate duplicates Z: 8 12.485 2.187 0.380 0.841 0.857 0.857 CB 1.360 8 residues pruned to eliminate duplicates Z: 14 14.222 1.619 0.549 0.848 0.923 0.538 CB 1.265 10 residues pruned to eliminate duplicates Z: 58 31.187 2.161 0.544 0.405 0.912 0.596 CB 1.500 58 residues pruned to eliminate duplicates Z: 28 25.241 2.085 1.156 0.480 0.778 0.370 CB 1.418 28 residues pruned to eliminate duplicates Z: 47 31.430 2.035 0.658 0.524 0.935 0.630 CB 1.435 47 residues pruned to eliminate duplicates Z: 6 2.968 1.374 0.932 0.564 0.800 0.400 CB 0.587 6 residues pruned to eliminate duplicates Z: 17 26.607 1.967 0.605 0.904 0.938 0.625 CA 1.601 17 residues pruned to eliminate duplicates Z: 60 54.979 2.335 0.936 0.526 0.932 0.593 CB 1.655 60 residues pruned to eliminate duplicates Z: 18 22.722 1.958 0.511 0.875 0.941 0.824 CA 1.439 18 residues pruned to eliminate duplicates Z: 6 13.900 2.197 0.269 0.891 1.000 1.000 CB 1.603 6 residues pruned to eliminate duplicates Z: 42 25.393 2.059 0.492 0.517 0.927 0.683 CB 1.370 41 residues pruned to eliminate duplicates Z: 24 26.869 2.042 0.427 0.857 0.957 0.870 CB 1.481 24 residues pruned to eliminate duplicates Z: 11 14.366 2.249 0.439 0.340 1.000 0.400 CA 1.670 11 residues pruned to eliminate duplicates Z: 30 38.256 2.078 0.717 0.913 0.966 0.897 CA 1.461 30 residues pruned to eliminate duplicates Z: 28 39.420 1.987 0.723 0.908 1.000 0.593 CB 1.574 28 residues pruned to eliminate duplicates Z: 10 14.892 1.900 0.632 0.894 0.889 0.778 CA 1.292 10 residues pruned to eliminate duplicates Z: 18 20.058 2.031 0.743 0.532 0.941 0.647 CB 1.415 18 residues pruned to eliminate duplicates Z: 9 9.028 1.814 0.314 0.719 0.750 0.500 CA 1.464 8 residues pruned to eliminate duplicates Z: 17 24.563 1.957 0.544 0.858 1.000 0.875 CB 1.497 17 residues pruned to eliminate duplicates Z: 7 2.278 1.359 0.674 0.243 0.667 0.333 CB 0.826 Z: 19 38.821 2.152 1.234 0.856 0.889 0.500 CB 1.579 19 residues pruned to eliminate duplicates Z: 12 19.332 1.996 0.634 0.878 0.909 0.727 CB 1.427 12 residues pruned to eliminate duplicates Z: 10 19.584 2.099 0.742 0.838 0.889 0.778 CA 1.501 11 residues pruned to eliminate duplicates Z: 15 21.386 1.985 0.558 0.870 0.929 0.786 CB 1.452 15 residues pruned to eliminate duplicates Z: 15 8.428 1.811 0.214 0.423 0.929 0.500 CB 1.195 Z: 15 21.765 1.952 0.747 0.825 0.857 0.714 N 1.502 15 residues pruned to eliminate duplicates Z: 30 23.417 2.024 0.692 0.512 0.862 0.345 CB 1.456 30 residues pruned to eliminate duplicates Z: 29 34.065 1.973 0.438 0.895 1.000 0.679 CA 1.626 29 residues pruned to eliminate duplicates Z: 14 14.509 1.870 0.122 0.934 1.000 0.923 CB 1.337 13 residues pruned to eliminate duplicates Z: 35 19.677 1.868 0.540 0.471 0.941 0.618 CB 1.283 34 residues pruned to eliminate duplicates Z: 21 27.045 2.004 0.393 0.896 1.000 0.850 CA 1.552 21 residues pruned to eliminate duplicates Z: 7 6.205 1.732 0.664 0.533 0.667 0.667 N 1.276 6 residues pruned to eliminate duplicates Z: 29 17.946 1.944 0.454 0.490 0.821 0.571 CB 1.475 29 residues pruned to eliminate duplicates Z: 15 24.673 1.889 0.646 0.923 1.000 0.857 CB 1.490 15 residues pruned to eliminate duplicates Z: 46 27.861 2.031 0.478 0.552 0.933 0.600 CB 1.409 46 residues pruned to eliminate duplicates Z: 35 17.157 1.959 0.568 0.429 0.882 0.647 CB 1.169 35 residues pruned to eliminate duplicates Z: 12 19.290 1.909 0.950 0.915 0.909 0.636 CB 1.215 12 residues pruned to eliminate duplicates Z: 9 8.696 1.806 -0.016 0.855 1.000 0.875 CB 1.276 Z: 17 21.176 2.016 0.515 0.839 0.938 0.875 CA 1.381 17 residues pruned to eliminate duplicates Z: 21 16.045 1.771 0.439 0.899 0.900 0.700 CB 1.118 21 residues pruned to eliminate duplicates Z: 18 26.876 1.945 0.617 0.888 1.000 0.824 CA 1.494 18 residues pruned to eliminate duplicates Z: 9 21.176 2.081 0.633 0.834 1.000 0.375 CB 1.651 9 residues pruned to eliminate duplicates Z: 10 9.525 1.505 0.662 0.741 0.889 0.556 O 1.151 10 residues pruned to eliminate duplicates Z: 13 30.003 2.024 1.268 0.880 0.917 0.500 CB 1.491 13 residues pruned to eliminate duplicates Z: 11 20.808 2.135 0.461 0.911 0.900 0.700 CA 1.660 11 residues pruned to eliminate duplicates Z: 16 21.164 2.001 0.314 0.916 0.933 0.933 CB 1.572 16 residues pruned to eliminate duplicates Z: 11 16.946 1.972 0.619 0.858 1.000 0.600 CA 1.237 11 residues pruned to eliminate duplicates Z: 17 30.133 2.080 0.749 0.823 1.000 0.812 CA 1.566 17 residues pruned to eliminate duplicates Z: 14 17.811 1.910 0.571 0.901 1.000 0.923 CB 1.176 14 residues pruned to eliminate duplicates Z: 28 38.539 2.056 1.012 0.933 0.926 0.519 CB 1.351 28 residues pruned to eliminate duplicates Z: 24 37.779 2.090 0.763 0.898 0.957 0.565 CB 1.599 24 residues pruned to eliminate duplicates Z: 14 5.994 1.813 0.334 0.321 0.769 0.385 CB 1.089 Z: 26 29.178 2.013 0.433 0.893 0.960 0.800 CB 1.513 26 residues pruned to eliminate duplicates Z: 29 15.984 1.868 0.137 0.559 0.893 0.643 CB 1.504 29 residues pruned to eliminate duplicates Z: 8 16.524 2.147 0.421 0.904 1.000 0.714 CB 1.459 8 residues pruned to eliminate duplicates Z: 50 25.161 1.969 0.635 0.543 0.857 0.449 CB 1.249 50 residues pruned to eliminate duplicates Z: 10 23.819 2.018 0.857 0.835 0.889 0.778 N 1.786 10 residues pruned to eliminate duplicates Z: 11 13.238 1.935 0.720 0.790 0.800 0.700 CB 1.219 11 residues pruned to eliminate duplicates Z: 6 7.134 1.961 0.260 0.785 0.800 0.400 CB 1.256 6 residues pruned to eliminate duplicates Z: 8 10.774 2.173 0.699 0.452 0.857 0.571 CB 1.352 8 residues pruned to eliminate duplicates Z: 17 22.878 1.973 0.514 0.858 0.938 0.812 CA 1.504 17 residues pruned to eliminate duplicates Z: 14 29.723 2.169 0.692 0.916 0.923 0.462 CB 1.719 14 residues pruned to eliminate duplicates Z: 7 17.863 2.098 0.786 0.790 1.000 0.833 CA 1.509 7 residues pruned to eliminate duplicates Z: 28 27.209 2.051 0.511 0.622 1.000 0.741 CB 1.506 26 residues pruned to eliminate duplicates Z: 10 11.423 1.842 0.621 0.683 0.778 0.333 CB 1.386 10 residues pruned to eliminate duplicates Z: 31 34.745 2.154 0.452 0.899 0.933 0.833 CB 1.554 31 residues pruned to eliminate duplicates Z: 6 14.405 1.959 0.737 0.780 1.000 0.600 CB 1.479 6 residues pruned to eliminate duplicates Z: 8 15.172 1.851 0.368 0.878 1.000 0.714 CB 1.644 Z: 14 26.516 2.069 0.800 0.902 1.000 0.769 CA 1.409 14 residues pruned to eliminate duplicates Z: 21 24.277 2.138 0.717 0.525 0.900 0.600 CB 1.603 25 residues pruned to eliminate duplicates Z: 6 5.836 1.997 0.278 0.696 0.800 0.800 CB 1.069 6 residues pruned to eliminate duplicates Z: 17 25.019 2.295 0.574 0.648 0.938 0.500 CB 1.609 17 residues pruned to eliminate duplicates Z: 53 34.045 2.062 0.656 0.530 0.904 0.673 CB 1.486 53 residues pruned to eliminate duplicates Z: 58 30.210 1.993 0.517 0.528 0.930 0.632 CB 1.384 58 residues pruned to eliminate duplicates Z: 12 19.621 2.020 0.297 0.861 1.000 0.909 CA 1.659 12 residues pruned to eliminate duplicates Z: 28 51.824 2.149 0.918 0.942 1.000 0.778 CA 1.678 28 residues pruned to eliminate duplicates Z: 62 34.716 2.225 0.618 0.493 0.902 0.689 CB 1.380 62 residues pruned to eliminate duplicates Z: 30 50.129 2.261 0.782 0.939 0.966 0.759 CB 1.663 30 residues pruned to eliminate duplicates Z: 15 15.804 1.844 0.189 0.931 1.000 0.929 CB 1.346 15 residues pruned to eliminate duplicates Z: 8 11.513 2.032 0.517 0.549 0.857 0.571 CA 1.571 8 residues pruned to eliminate duplicates Z: 18 20.824 1.918 0.394 0.847 1.000 0.882 CA 1.402 18 residues pruned to eliminate duplicates Z: 15 25.355 2.112 0.561 0.894 0.929 0.857 CA 1.588 15 residues pruned to eliminate duplicates Z: 11 20.817 1.971 0.673 0.863 1.000 0.800 CB 1.464 11 residues pruned to eliminate duplicates Z: 23 30.234 1.997 0.438 0.921 1.000 0.773 CA 1.579 23 residues pruned to eliminate duplicates Z: 6 5.822 1.906 -0.035 0.800 1.000 0.600 CB 1.089 6 residues pruned to eliminate duplicates Z: 9 21.302 1.984 0.775 0.900 1.000 0.500 CA 1.528 9 residues pruned to eliminate duplicates Z: 30 49.086 2.230 0.779 0.928 1.000 0.552 CB 1.609 30 residues pruned to eliminate duplicates Z: 13 16.421 1.884 0.444 0.794 0.917 0.667 CB 1.469 13 residues pruned to eliminate duplicates Z: 15 16.332 1.860 0.696 0.578 0.929 0.643 CB 1.382 15 residues pruned to eliminate duplicates Z: 9 2.680 1.593 -0.033 0.236 0.750 0.375 CB 1.115 5 residues pruned to eliminate duplicates Z: 6 4.169 1.430 0.464 0.516 1.000 0.600 CB 0.877 Z: 26 18.075 2.115 0.719 0.514 0.720 0.560 CB 1.361 25 residues pruned to eliminate duplicates Z: 32 31.791 2.024 0.751 0.618 0.935 0.677 CB 1.541 32 residues pruned to eliminate duplicates Z: 11 15.077 1.883 0.440 0.918 1.000 0.700 CB 1.240 11 residues pruned to eliminate duplicates Z: 50 29.583 2.052 0.699 0.505 0.857 0.571 CB 1.407 47 residues pruned to eliminate duplicates Z: 8 13.575 1.911 0.730 0.816 1.000 0.714 CA 1.179 8 residues pruned to eliminate duplicates Z: 10 6.263 1.673 -0.023 0.873 0.889 0.778 CB 1.047 9 residues pruned to eliminate duplicates Z: 9 22.174 2.004 0.881 0.868 1.000 0.875 CA 1.520 10 residues pruned to eliminate duplicates Z: 17 22.869 1.997 0.390 0.846 0.938 0.875 CA 1.631 17 residues pruned to eliminate duplicates Z: 8 15.881 1.991 0.622 0.728 1.000 0.857 CA 1.513 8 residues pruned to eliminate duplicates Z: 12 18.552 1.941 0.551 0.923 1.000 0.636 CB 1.306 12 residues pruned to eliminate duplicates Z: 24 14.523 1.756 0.505 0.553 0.870 0.565 CB 1.252 24 residues pruned to eliminate duplicates Z: 8 18.189 2.153 0.394 0.885 1.000 1.000 CB 1.653 8 residues pruned to eliminate duplicates Z: 8 12.703 1.953 0.248 0.735 1.000 0.429 CB 1.595 8 residues pruned to eliminate duplicates Z: 10 12.166 1.728 0.376 0.887 1.000 0.889 CB 1.229 10 residues pruned to eliminate duplicates Z: 28 43.475 2.032 0.963 0.950 1.000 0.556 CB 1.446 28 residues pruned to eliminate duplicates Z: 7 4.296 1.753 0.096 0.526 0.833 0.833 CB 1.068 Z: 26 33.862 1.970 0.581 0.909 1.000 0.680 CB 1.542 26 residues pruned to eliminate duplicates Z: 17 20.837 1.918 0.347 0.906 0.938 0.812 CB 1.530 17 residues pruned to eliminate duplicates Z: 8 7.136 1.802 -0.006 0.861 1.000 0.857 N 1.106 8 residues pruned to eliminate duplicates Z: 6 4.341 1.632 0.431 0.337 0.800 0.600 O 1.241 Z: 16 10.630 1.726 0.490 0.454 0.867 0.533 CB 1.292 Z: 15 24.631 2.111 0.526 0.897 1.000 0.571 CB 1.463 15 residues pruned to eliminate duplicates Z: 6 3.825 1.799 0.347 0.489 0.600 0.600 N 1.190 Z: 21 25.967 1.812 0.706 0.887 1.000 0.600 CB 1.355 21 residues pruned to eliminate duplicates Z: 11 10.838 1.726 0.304 0.886 0.900 0.700 CB 1.221 10 residues pruned to eliminate duplicates Z: 17 29.700 2.007 0.880 0.911 0.812 0.438 CA 1.716 17 residues pruned to eliminate duplicates Z: 9 16.060 2.041 0.676 0.548 1.000 0.500 N 1.584 9 residues pruned to eliminate duplicates Z: 6 4.970 1.724 0.069 0.494 1.000 0.400 CB 1.214 Z: 13 16.162 1.905 0.434 0.933 1.000 1.000 CB 1.192 13 residues pruned to eliminate duplicates Z: 17 25.271 1.954 0.760 0.858 0.938 0.812 CA 1.444 17 residues pruned to eliminate duplicates Z: 14 15.619 1.907 0.238 0.880 1.000 0.923 CA 1.329 14 residues pruned to eliminate duplicates Z: 12 36.774 2.256 1.097 0.929 1.000 0.818 CB 1.640 12 residues pruned to eliminate duplicates Z: 41 22.775 2.035 0.487 0.445 0.900 0.650 CB 1.399 41 residues pruned to eliminate duplicates Z: 28 38.063 2.039 1.063 0.922 0.926 0.481 CB 1.323 28 residues pruned to eliminate duplicates Z: 47 23.153 2.136 0.598 0.362 0.870 0.478 CB 1.335 47 residues pruned to eliminate duplicates Z: 18 27.908 1.972 0.762 0.863 1.000 0.941 CA 1.429 18 residues pruned to eliminate duplicates Z: 31 53.762 2.270 0.909 0.943 0.967 0.567 CB 1.623 31 residues pruned to eliminate duplicates Z: 12 12.528 2.019 0.514 0.621 0.818 0.727 CB 1.347 7 residues pruned to eliminate duplicates Z: 8 13.944 1.899 0.294 0.850 1.000 1.000 O 1.588 16 residues pruned to eliminate duplicates Z: 27 44.483 2.062 0.928 0.951 1.000 0.731 CA 1.513 27 residues pruned to eliminate duplicates Z: 6 4.042 1.682 0.075 0.395 0.800 0.800 CB 1.396 5 residues pruned to eliminate duplicates Z: 16 19.978 1.993 0.404 0.914 0.933 0.800 CA 1.397 16 residues pruned to eliminate duplicates Z: 7 5.548 1.770 0.424 0.364 0.833 0.667 CB 1.248 Z: 12 14.166 1.738 0.362 0.891 1.000 0.727 N 1.297 15 residues pruned to eliminate duplicates Z: 11 7.545 1.585 0.329 0.494 0.900 0.600 CB 1.267 Z: 28 23.182 1.946 0.474 0.623 0.889 0.704 CB 1.558 20 residues pruned to eliminate duplicates Z: 13 16.088 1.827 0.394 0.912 1.000 0.583 CB 1.292 13 residues pruned to eliminate duplicates Z: 30 21.519 2.027 0.573 0.470 0.931 0.517 CB 1.388 29 residues pruned to eliminate duplicates Z: 25 33.542 2.023 0.603 0.891 0.958 0.792 CB 1.584 25 residues pruned to eliminate duplicates Z: 13 19.377 1.815 0.414 0.903 1.000 0.917 CA 1.554 13 residues pruned to eliminate duplicates Z: 17 22.631 1.997 0.299 0.874 1.000 0.812 CA 1.587 17 residues pruned to eliminate duplicates Z: 42 31.005 2.135 0.716 0.527 0.902 0.537 CB 1.426 42 residues pruned to eliminate duplicates Z: 16 22.366 1.952 0.564 0.885 0.933 0.733 CA 1.464 16 residues pruned to eliminate duplicates Z: 8 17.250 2.190 0.341 0.909 1.000 1.000 CB 1.576 8 residues pruned to eliminate duplicates Z: 18 10.492 1.917 0.477 0.413 0.824 0.647 CB 1.196 18 residues pruned to eliminate duplicates Z: 22 8.384 1.752 0.475 0.303 0.762 0.286 CB 1.158 22 residues pruned to eliminate duplicates Z: 13 18.274 1.918 0.525 0.909 1.000 0.500 CB 1.280 13 residues pruned to eliminate duplicates Z: 9 6.346 1.719 0.369 0.528 1.000 0.750 CB 0.927 Z: 11 10.311 1.685 0.048 0.829 1.000 0.800 CB 1.389 11 residues pruned to eliminate duplicates Z: 9 8.240 1.681 0.530 0.779 0.875 0.750 CB 1.011 9 residues pruned to eliminate duplicates Z: 13 8.613 1.750 0.617 0.276 0.833 0.667 CB 1.358 13 residues pruned to eliminate duplicates Z: 29 34.576 1.976 0.714 0.932 0.929 0.500 CB 1.451 29 residues pruned to eliminate duplicates Z: 8 11.876 1.785 0.600 0.582 1.000 0.714 CB 1.452 8 residues pruned to eliminate duplicates Z: 10 23.128 2.031 0.849 0.843 1.000 0.778 CA 1.528 10 residues pruned to eliminate duplicates Z: 39 26.218 1.854 0.751 0.693 0.947 0.553 CB 1.158 39 residues pruned to eliminate duplicates Z: 11 21.416 1.881 0.908 0.910 1.000 0.800 CB 1.338 12 residues pruned to eliminate duplicates Z: 7 15.627 2.004 0.498 0.898 1.000 1.000 CB 1.520 7 residues pruned to eliminate duplicates Z: 26 28.290 1.985 0.405 0.905 0.960 0.720 CB 1.504 26 residues pruned to eliminate duplicates Z: 29 38.916 1.971 0.986 0.938 0.964 0.571 CB 1.354 29 residues pruned to eliminate duplicates Z: 31 37.372 2.050 0.719 0.900 0.967 0.700 CB 1.431 31 residues pruned to eliminate duplicates Z: 40 60.583 2.268 1.128 0.800 0.923 0.795 CA 1.675 40 residues pruned to eliminate duplicates Z: 15 25.076 1.981 0.687 0.869 1.000 0.786 CB 1.465 15 residues pruned to eliminate duplicates Z: 11 30.747 2.018 1.018 0.894 1.000 0.700 CB 1.713 11 residues pruned to eliminate duplicates Z: 17 22.268 2.034 0.450 0.880 0.938 0.812 CA 1.459 17 residues pruned to eliminate duplicates Z: 18 8.313 1.661 0.305 0.481 0.824 0.412 CB 1.152 18 residues pruned to eliminate duplicates Z: 42 24.791 2.054 0.649 0.440 0.854 0.659 CB 1.424 43 residues pruned to eliminate duplicates Z: 10 7.636 1.863 0.763 0.315 0.778 0.556 CA 1.222 Z: 8 12.344 1.785 0.626 0.711 1.000 0.571 CB 1.327 8 residues pruned to eliminate duplicates Z: 13 21.712 1.884 0.804 0.873 0.917 0.750 N 1.465 12 residues pruned to eliminate duplicates Z: 21 25.264 2.086 0.555 0.682 0.950 0.750 CB 1.550 20 residues pruned to eliminate duplicates Z: 10 4.116 1.536 0.481 0.460 0.778 0.667 CB 0.808 Z: 9 13.500 1.908 0.523 0.867 0.750 0.750 CB 1.602 9 residues pruned to eliminate duplicates Z: 6 5.787 1.880 0.494 0.644 0.600 0.600 N 1.342 6 residues pruned to eliminate duplicates Z: 9 15.762 1.836 0.776 0.835 1.000 0.750 CA 1.280 9 residues pruned to eliminate duplicates Z: 18 30.782 1.901 0.845 0.923 1.000 0.706 CB 1.496 18 residues pruned to eliminate duplicates Z: 14 13.928 1.764 0.558 0.861 1.000 0.846 CB 1.033 14 residues pruned to eliminate duplicates Z: 11 9.354 1.776 0.126 0.863 1.000 1.000 CA 1.086 11 residues pruned to eliminate duplicates Z: 39 28.408 1.996 0.511 0.621 0.974 0.526 CB 1.400 52 residues pruned to eliminate duplicates Z: 8 3.390 1.857 -0.146 0.558 1.000 0.714 CB 0.764 7 residues pruned to eliminate duplicates Z: 6 6.254 1.375 0.354 0.833 1.000 0.600 C 1.127 Z: 16 26.297 2.100 0.636 0.902 0.933 0.867 CA 1.511 16 residues pruned to eliminate duplicates Z: 29 32.998 1.880 0.620 0.935 0.964 0.643 CB 1.480 29 residues pruned to eliminate duplicates Z: 14 29.821 2.078 0.964 0.824 0.923 0.769 CB 1.658 14 residues pruned to eliminate duplicates Z: 9 10.256 1.962 0.239 0.772 1.000 0.625 CB 1.172 9 residues pruned to eliminate duplicates Z: 28 38.124 2.072 0.890 0.947 0.926 0.593 CB 1.399 28 residues pruned to eliminate duplicates Z: 7 2.971 1.610 -0.105 0.610 0.833 0.500 CA 0.910 7 residues pruned to eliminate duplicates Z: 9 9.411 1.886 0.118 0.850 0.875 0.750 CB 1.335 9 residues pruned to eliminate duplicates Z: 33 29.310 1.859 0.823 0.708 0.906 0.656 CB 1.397 44 residues pruned to eliminate duplicates Z: 26 25.740 2.088 0.571 0.685 0.880 0.560 CB 1.506 26 residues pruned to eliminate duplicates Z: 9 17.492 2.067 0.431 0.827 1.000 0.750 CA 1.575 9 residues pruned to eliminate duplicates Z: 14 12.939 1.651 0.517 0.845 0.923 0.769 CB 1.155 Z: 37 46.142 2.186 0.712 0.854 0.944 0.556 CB 1.607 37 residues pruned to eliminate duplicates Z: 31 47.412 2.169 1.048 0.945 0.933 0.367 CB 1.445 31 residues pruned to eliminate duplicates Z: 6 8.325 2.176 0.409 0.720 0.800 0.800 CB 1.244 6 residues pruned to eliminate duplicates Z: 10 9.415 1.860 0.079 0.804 1.000 0.556 CB 1.199 10 residues pruned to eliminate duplicates Z: 8 8.754 1.954 0.003 0.872 1.000 1.000 CB 1.230 8 residues pruned to eliminate duplicates Z: 16 19.001 1.844 0.380 0.891 0.933 0.800 CB 1.485 15 residues pruned to eliminate duplicates Z: 14 20.030 1.811 0.567 0.892 1.000 0.769 CB 1.407 14 residues pruned to eliminate duplicates Z: 6 5.103 1.877 0.188 0.730 1.000 0.800 CB 0.832 6 residues pruned to eliminate duplicates Z: 30 23.580 2.012 0.514 0.585 0.966 0.655 CB 1.372 31 residues pruned to eliminate duplicates Z: 14 14.537 1.847 0.572 0.910 0.923 0.615 CB 1.067 14 residues pruned to eliminate duplicates Z: 40 29.940 2.066 0.787 0.526 0.872 0.487 CB 1.452 41 residues pruned to eliminate duplicates Z: 11 25.638 2.066 0.936 0.908 0.900 0.600 CB 1.599 11 residues pruned to eliminate duplicates Z: 14 21.511 1.864 0.531 0.896 1.000 0.692 CB 1.497 14 residues pruned to eliminate duplicates Z: 6 4.437 1.804 0.652 0.664 0.800 0.600 CB 0.715 6 residues pruned to eliminate duplicates Z: 7 3.764 1.613 -0.040 0.548 0.833 0.500 CB 1.136 Z: 10 12.870 1.916 0.412 0.808 0.889 0.556 CA 1.364 10 residues pruned to eliminate duplicates Z: 10 8.827 1.773 0.391 0.638 1.000 0.667 CB 1.049 Z: 18 23.716 1.945 0.483 0.894 0.941 0.941 CA 1.520 18 residues pruned to eliminate duplicates Z: 28 38.791 2.018 0.838 0.918 0.889 0.519 CB 1.597 28 residues pruned to eliminate duplicates Z: 72 31.445 1.942 0.619 0.564 0.873 0.577 CB 1.277 72 residues pruned to eliminate duplicates Z: 14 29.797 2.113 0.596 0.903 1.000 0.769 CA 1.747 14 residues pruned to eliminate duplicates Z: 18 6.322 1.688 0.525 0.244 0.882 0.471 CB 0.907 18 residues pruned to eliminate duplicates Z: 53 35.687 2.040 0.766 0.580 0.904 0.635 CB 1.407 53 residues pruned to eliminate duplicates Z: 21 21.951 1.966 0.508 0.750 0.950 0.800 CB 1.394 21 residues pruned to eliminate duplicates Z: 23 17.829 1.669 0.360 0.915 1.000 0.773 CB 1.183 14 residues pruned to eliminate duplicates Z: 27 26.440 2.039 0.581 0.662 0.962 0.615 CB 1.440 29 residues pruned to eliminate duplicates Z: 11 17.319 1.945 0.615 0.847 1.000 0.500 CA 1.294 11 residues pruned to eliminate duplicates Z: 13 17.159 1.881 0.566 0.911 1.000 0.833 CB 1.192 12 residues pruned to eliminate duplicates Z: 24 17.641 1.678 0.763 0.913 0.870 0.609 CB 1.012 24 residues pruned to eliminate duplicates Z: 8 20.400 2.051 0.685 0.896 1.000 0.857 N 1.598 8 residues pruned to eliminate duplicates Z: 15 15.528 2.169 0.480 0.465 0.786 0.429 CA 1.705 15 residues pruned to eliminate duplicates Z: 9 12.545 1.947 0.293 0.883 1.000 0.750 CA 1.273 9 residues pruned to eliminate duplicates Z: 6 13.611 2.005 0.663 0.713 1.000 0.600 CA 1.504 6 residues pruned to eliminate duplicates Z: 35 22.398 2.218 0.701 0.361 0.912 0.471 CB 1.298 35 residues pruned to eliminate duplicates Z: 13 18.020 1.755 0.791 0.906 0.917 0.833 CB 1.285 11 residues pruned to eliminate duplicates Z: 16 7.765 1.752 0.341 0.413 0.867 0.533 CB 1.078 16 residues pruned to eliminate duplicates Z: 17 10.323 1.878 0.464 0.421 0.812 0.500 CB 1.255 17 residues pruned to eliminate duplicates Z: 10 14.638 1.830 0.607 0.815 1.000 0.778 CA 1.262 9 residues pruned to eliminate duplicates Z: 14 17.007 1.983 0.374 0.840 0.846 0.769 CB 1.526 14 residues pruned to eliminate duplicates Z: 9 12.929 1.773 0.502 0.850 1.000 0.375 CB 1.271 9 residues pruned to eliminate duplicates Z: 31 23.784 2.115 0.463 0.557 0.867 0.567 CB 1.532 31 residues pruned to eliminate duplicates Z: 18 20.552 1.846 0.367 0.931 1.000 0.882 CA 1.381 18 residues pruned to eliminate duplicates Z: 27 22.434 2.009 0.428 0.590 0.923 0.654 CB 1.524 26 residues pruned to eliminate duplicates Z: 17 21.169 2.032 0.857 0.514 0.938 0.688 CB 1.474 17 residues pruned to eliminate duplicates Z: 9 12.659 1.755 0.310 0.832 1.000 0.875 O 1.462 9 residues pruned to eliminate duplicates Z: 21 20.805 1.757 0.683 0.912 1.000 0.650 CB 1.114 31 residues pruned to eliminate duplicates Z: 12 7.389 1.738 0.589 0.566 0.909 0.636 CB 0.832 9 residues pruned to eliminate duplicates Z: 27 29.713 2.089 0.612 0.666 0.962 0.769 CB 1.544 27 residues pruned to eliminate duplicates Z: 71 39.262 2.004 0.519 0.656 0.957 0.686 CB 1.393 90 residues pruned to eliminate duplicates Z: 16 21.372 2.043 0.850 0.579 0.933 0.733 CB 1.449 20 residues pruned to eliminate duplicates Z: 7 21.922 2.249 0.902 0.896 1.000 1.000 CB 1.499 7 residues pruned to eliminate duplicates Z: 15 19.305 1.837 0.564 0.834 1.000 0.857 CB 1.345 15 residues pruned to eliminate duplicates Z: 8 7.925 1.744 0.593 0.533 1.000 0.857 CB 1.044 Z: 14 25.760 2.144 0.566 0.894 0.923 0.692 CA 1.653 14 residues pruned to eliminate duplicates Z: 11 16.281 1.948 0.385 0.900 1.000 1.000 CB 1.362 Z: 15 9.784 1.772 0.427 0.474 0.929 0.500 CB 1.144 10 residues pruned to eliminate duplicates Z: 26 32.438 2.048 0.735 0.885 1.000 0.760 CA 1.318 26 residues pruned to eliminate duplicates Z: 28 39.636 2.077 0.953 0.925 0.926 0.481 CB 1.425 28 residues pruned to eliminate duplicates Z: 26 16.625 2.011 0.561 0.338 0.880 0.560 CB 1.436 26 residues pruned to eliminate duplicates Z: 6 6.183 1.644 0.822 0.512 0.800 0.600 O 1.141 Z: 9 12.896 1.903 0.394 0.865 1.000 1.000 CB 1.259 9 residues pruned to eliminate duplicates Z: 16 26.932 2.012 0.611 0.867 1.000 0.800 CB 1.569 16 residues pruned to eliminate duplicates Z: 28 19.237 2.082 0.719 0.490 0.815 0.444 CB 1.282 28 residues pruned to eliminate duplicates Z: 45 24.829 1.975 0.441 0.573 0.932 0.659 CB 1.316 44 residues pruned to eliminate duplicates Z: 16 19.670 1.952 0.593 0.814 0.933 0.667 CB 1.332 16 residues pruned to eliminate duplicates Z: 10 23.701 2.409 0.403 0.847 1.000 0.889 CB 1.735 10 residues pruned to eliminate duplicates Z: 30 46.126 2.136 1.023 0.926 0.966 0.517 CB 1.440 30 residues pruned to eliminate duplicates Z: 24 35.385 2.121 0.664 0.899 0.913 0.783 CB 1.636 24 residues pruned to eliminate duplicates Z: 22 18.353 1.771 0.397 0.864 0.952 0.714 CB 1.246 22 residues pruned to eliminate duplicates Z: 40 32.035 2.169 0.768 0.543 0.897 0.538 CB 1.429 40 residues pruned to eliminate duplicates Z: 38 25.540 2.010 0.462 0.577 0.973 0.730 CB 1.363 38 residues pruned to eliminate duplicates Z: 48 21.449 1.842 0.666 0.449 0.872 0.468 CB 1.232 44 residues pruned to eliminate duplicates Z: 12 20.374 2.175 0.392 0.907 1.000 0.727 CA 1.442 12 residues pruned to eliminate duplicates Z: 11 18.381 1.848 0.657 0.907 1.000 0.900 CB 1.348 11 residues pruned to eliminate duplicates Z: 29 40.211 2.001 0.736 0.922 1.000 0.821 CB 1.538 29 residues pruned to eliminate duplicates Z: 6 12.167 1.870 0.763 0.835 1.000 0.600 CB 1.237 6 residues pruned to eliminate duplicates Z: 21 29.297 1.999 0.839 0.859 0.950 0.700 CB 1.380 21 residues pruned to eliminate duplicates Z: 12 15.846 1.905 0.323 0.732 1.000 0.636 CA 1.539 12 residues pruned to eliminate duplicates Z: 85 60.588 2.300 0.749 0.612 0.917 0.679 CA 1.613 85 residues pruned to eliminate duplicates Z: 8 2.290 1.625 0.019 0.212 0.857 0.429 CB 0.856 Z: 17 27.498 2.052 0.813 0.876 0.875 0.750 CA 1.535 16 residues pruned to eliminate duplicates 6 1.767 1.721 0.213 0.100 0.800 0.600 N 0.789 ? Z: 8 18.015 1.814 0.961 0.900 1.000 1.000 N 1.367 8 residues pruned to eliminate duplicates Z: 18 21.940 1.938 0.390 0.860 1.000 0.824 CA 1.453 18 residues pruned to eliminate duplicates Z: 18 26.654 1.930 0.623 0.880 1.000 0.882 CA 1.495 19 residues pruned to eliminate duplicates Z: 9 5.285 1.757 -0.056 0.508 0.875 0.375 C 1.277 Z: 11 13.713 1.961 0.390 0.859 1.000 0.800 CA 1.170 11 residues pruned to eliminate duplicates Z: 29 25.684 1.969 0.653 0.716 0.929 0.429 CB 1.321 29 residues pruned to eliminate duplicates Z: 12 20.327 1.931 0.771 0.855 1.000 0.455 CB 1.323 12 residues pruned to eliminate duplicates Z: 12 8.100 1.707 0.258 0.450 0.909 0.636 CB 1.316 Z: 15 21.929 1.887 0.394 0.895 1.000 0.786 CB 1.597 15 residues pruned to eliminate duplicates Z: 10 21.916 2.052 0.694 0.872 1.000 0.889 CB 1.532 10 residues pruned to eliminate duplicates Z: 29 28.173 2.051 0.613 0.636 0.964 0.607 CB 1.470 29 residues pruned to eliminate duplicates Z: 19 14.338 1.752 0.477 0.853 0.889 0.667 CB 1.086 19 residues pruned to eliminate duplicates Z: 23 29.044 2.067 0.735 0.866 0.909 0.591 CB 1.391 23 residues pruned to eliminate duplicates Z: 52 23.699 1.915 0.378 0.526 0.882 0.667 CB 1.389 41 residues pruned to eliminate duplicates Z: 17 23.452 1.934 0.582 0.870 0.938 0.750 CA 1.492 16 residues pruned to eliminate duplicates Z: 18 18.630 1.898 0.311 0.871 1.000 0.941 CA 1.324 18 residues pruned to eliminate duplicates Z: 32 23.545 1.983 0.542 0.629 0.903 0.710 CB 1.357 32 residues pruned to eliminate duplicates Z: 12 15.625 1.780 0.347 0.848 1.000 0.636 CB 1.458 12 residues pruned to eliminate duplicates Z: 6 4.056 1.449 0.210 0.796 1.000 0.600 CB 0.798 6 residues pruned to eliminate duplicates Z: 14 18.582 1.871 0.278 0.920 1.000 0.846 CB 1.517 14 residues pruned to eliminate duplicates Z: 11 10.722 1.962 0.515 0.585 1.000 0.700 CB 1.052 11 residues pruned to eliminate duplicates Z: 31 30.687 2.177 0.842 0.694 0.933 0.567 CB 1.253 31 residues pruned to eliminate duplicates Z: 18 29.761 2.037 0.722 0.926 1.000 0.765 CB 1.443 18 residues pruned to eliminate duplicates Z: 64 34.273 2.142 0.677 0.468 0.889 0.556 CB 1.397 64 residues pruned to eliminate duplicates Z: 23 17.571 2.116 0.720 0.270 0.909 0.409 CB 1.470 23 residues pruned to eliminate duplicates Z: 56 50.899 2.173 0.654 0.751 0.964 0.764 CB 1.583 56 residues pruned to eliminate duplicates Z: 10 15.947 2.247 0.246 0.794 0.889 0.222 N 1.650 10 residues pruned to eliminate duplicates Z: 72 46.256 2.213 0.500 0.697 0.930 0.732 CB 1.486 72 residues pruned to eliminate duplicates Z: 12 15.396 1.928 0.346 0.897 1.000 0.545 CB 1.281 12 residues pruned to eliminate duplicates Z: 24 10.652 1.717 0.317 0.392 0.870 0.609 CB 1.265 20 residues pruned to eliminate duplicates Z: 17 21.511 1.916 0.321 0.908 1.000 0.938 CA 1.509 17 residues pruned to eliminate duplicates Z: 51 30.017 2.039 0.620 0.558 0.960 0.640 CB 1.265 51 residues pruned to eliminate duplicates Z: 7 6.381 1.683 0.589 0.441 0.833 0.667 CB 1.242 7 residues pruned to eliminate duplicates Z: 29 43.637 2.046 1.048 0.927 0.964 0.429 CB 1.430 29 residues pruned to eliminate duplicates Z: 20 20.378 2.101 0.631 0.425 0.947 0.526 CB 1.556 20 residues pruned to eliminate duplicates Z: 8 19.979 1.900 0.984 0.918 1.000 1.000 N 1.412 8 residues pruned to eliminate duplicates Z: 8 4.561 1.520 0.478 0.487 0.857 0.714 N 0.907 Z: 22 18.020 1.798 0.280 0.905 1.000 0.952 CB 1.216 22 residues pruned to eliminate duplicates Z: 7 3.328 1.815 0.383 0.299 0.667 0.500 CB 1.016 Z: 7 12.714 1.964 0.479 0.845 1.000 0.667 N 1.329 7 residues pruned to eliminate duplicates Z: 11 13.231 1.770 0.416 0.861 1.000 0.800 CB 1.227 11 residues pruned to eliminate duplicates Z: 21 18.341 1.677 0.615 0.882 0.950 0.700 CB 1.153 21 residues pruned to eliminate duplicates Z: 10 3.006 1.312 0.161 0.322 0.778 0.333 CB 1.029 Z: 13 18.018 1.816 0.278 0.911 1.000 1.000 CB 1.588 13 residues pruned to eliminate duplicates Z: 18 24.602 1.917 0.576 0.908 1.000 0.882 CA 1.403 18 residues pruned to eliminate duplicates Z: 36 26.470 2.011 0.754 0.563 0.829 0.571 CB 1.441 36 residues pruned to eliminate duplicates Z: 12 20.924 1.972 0.435 0.916 1.000 0.909 CB 1.574 12 residues pruned to eliminate duplicates Z: 10 11.114 1.824 0.611 0.583 1.000 0.667 CB 1.164 12 residues pruned to eliminate duplicates Z: 16 15.629 1.646 0.440 0.823 1.000 0.400 CB 1.287 Z: 16 13.148 1.728 0.117 0.937 1.000 1.000 CB 1.224 16 residues pruned to eliminate duplicates Z: 9 6.414 1.760 0.024 0.514 1.000 0.875 CB 1.240 9 residues pruned to eliminate duplicates Z: 14 10.641 1.605 0.184 0.802 0.923 0.692 CB 1.292 14 residues pruned to eliminate duplicates Z: 40 24.676 1.806 0.660 0.676 0.897 0.667 CB 1.249 40 residues pruned to eliminate duplicates Z: 45 32.004 2.240 0.638 0.384 0.909 0.523 CB 1.636 45 residues pruned to eliminate duplicates Z: 13 15.387 1.976 0.097 0.937 1.000 1.000 CA 1.426 13 residues pruned to eliminate duplicates Z: 60 31.692 2.188 0.694 0.482 0.831 0.475 CB 1.365 62 residues pruned to eliminate duplicates Z: 29 35.971 1.937 0.723 0.931 1.000 0.500 CB 1.423 29 residues pruned to eliminate duplicates Z: 7 7.122 1.601 0.893 0.578 0.833 0.500 CB 1.069 7 residues pruned to eliminate duplicates Z: 29 35.272 1.970 0.724 0.905 0.893 0.429 CB 1.565 29 residues pruned to eliminate duplicates Z: 16 12.654 1.584 0.254 0.881 0.933 0.667 CB 1.276 16 residues pruned to eliminate duplicates Z: 20 33.439 1.933 1.112 0.886 0.947 0.737 CB 1.432 20 residues pruned to eliminate duplicates Z: 6 4.760 1.947 0.425 0.428 0.800 0.400 CB 1.033 Z: 8 11.030 2.040 0.042 0.886 1.000 1.000 CB 1.414 8 residues pruned to eliminate duplicates Z: 68 51.421 2.238 0.862 0.537 0.940 0.731 CB 1.547 68 residues pruned to eliminate duplicates Z: 119 62.207 2.239 0.698 0.614 0.915 0.678 CB 1.477 119 residues pruned to eliminate duplicates Z: 10 17.082 1.871 0.744 0.821 1.000 0.444 CB 1.321 10 residues pruned to eliminate duplicates Z: 14 19.503 1.909 0.859 0.875 0.923 0.692 CB 1.201 14 residues pruned to eliminate duplicates Z: 12 14.037 1.975 0.460 0.634 0.818 0.545 CA 1.582 13 residues pruned to eliminate duplicates Z: 16 21.547 2.311 0.332 0.645 0.933 0.733 CB 1.690 16 residues pruned to eliminate duplicates Z: 18 22.212 1.937 0.538 0.856 0.941 0.824 CB 1.416 18 residues pruned to eliminate duplicates Z: 28 43.246 2.045 1.019 0.938 1.000 0.630 CB 1.402 28 residues pruned to eliminate duplicates Z: 6 4.766 1.628 0.656 0.838 0.800 0.600 CB 0.738 6 residues pruned to eliminate duplicates Z: 31 26.789 2.013 0.612 0.581 0.933 0.467 CB 1.494 31 residues pruned to eliminate duplicates Z: 10 10.474 1.765 0.265 0.591 1.000 0.889 CB 1.433 11 residues pruned to eliminate duplicates Z: 41 23.146 1.942 0.575 0.550 0.900 0.575 CB 1.265 41 residues pruned to eliminate duplicates Z: 6 5.760 1.704 0.087 0.555 1.000 0.600 CB 1.318 6 residues pruned to eliminate duplicates Z: 6 6.502 1.649 0.514 0.625 1.000 0.800 CA 1.035 6 residues pruned to eliminate duplicates Z: 15 15.474 1.770 0.199 0.927 1.000 0.929 CB 1.366 15 residues pruned to eliminate duplicates Z: 70 35.619 1.893 0.712 0.666 0.913 0.594 CB 1.243 58 residues pruned to eliminate duplicates Z: 42 25.857 2.130 0.649 0.575 0.854 0.561 CB 1.253 42 residues pruned to eliminate duplicates Z: 12 12.912 1.623 0.639 0.873 0.818 0.636 N 1.303 12 residues pruned to eliminate duplicates Z: 16 37.064 2.018 1.085 0.929 0.933 0.533 CA 1.706 16 residues pruned to eliminate duplicates Z: 14 21.844 1.980 0.390 0.894 1.000 0.846 CB 1.579 14 residues pruned to eliminate duplicates Z: 35 21.179 1.878 0.544 0.613 0.912 0.676 CB 1.234 25 residues pruned to eliminate duplicates Z: 15 11.504 1.730 0.061 0.913 0.929 0.714 CB 1.277 15 residues pruned to eliminate duplicates Z: 12 13.380 1.905 0.186 0.852 1.000 0.818 CB 1.321 12 residues pruned to eliminate duplicates Z: 25 22.985 1.865 0.576 0.638 0.958 0.583 CB 1.464 25 residues pruned to eliminate duplicates Z: 14 13.778 1.680 0.515 0.906 0.923 0.923 CB 1.157 10 residues pruned to eliminate duplicates Z: 8 3.051 1.440 0.499 0.549 0.714 0.571 CB 0.713 Z: 49 22.784 1.880 0.510 0.540 0.896 0.583 CB 1.243 49 residues pruned to eliminate duplicates Z: 12 23.574 2.020 0.924 0.918 1.000 0.727 CB 1.289 12 residues pruned to eliminate duplicates Z: 6 13.493 2.105 0.810 0.871 1.000 0.800 CB 1.155 6 residues pruned to eliminate duplicates Z: 18 16.240 1.664 0.408 0.914 1.000 0.824 CB 1.189 18 residues pruned to eliminate duplicates Z: 18 7.044 1.705 0.274 0.360 0.882 0.529 CB 1.036 19 residues pruned to eliminate duplicates Z: 15 21.446 1.947 0.622 0.788 1.000 0.714 CA 1.410 15 residues pruned to eliminate duplicates Z: 16 9.176 1.709 0.508 0.359 0.867 0.400 CB 1.235 16 residues pruned to eliminate duplicates Z: 9 25.206 1.993 1.254 0.908 1.000 0.500 CB 1.410 9 residues pruned to eliminate duplicates Z: 21 36.775 2.077 0.942 0.914 0.950 0.700 CB 1.518 21 residues pruned to eliminate duplicates Z: 28 36.147 1.988 0.564 0.923 1.000 0.741 CB 1.572 28 residues pruned to eliminate duplicates Z: 55 23.001 1.896 0.440 0.526 0.889 0.611 CB 1.257 52 residues pruned to eliminate duplicates Z: 12 16.588 1.828 0.539 0.865 1.000 0.818 CA 1.302 12 residues pruned to eliminate duplicates Z: 9 13.773 2.012 0.762 0.621 1.000 0.875 CB 1.225 9 residues pruned to eliminate duplicates Z: 50 27.156 2.022 0.564 0.584 0.878 0.571 CB 1.290 50 residues pruned to eliminate duplicates Z: 13 24.693 2.172 0.606 0.915 1.000 0.750 CB 1.445 13 residues pruned to eliminate duplicates Z: 16 19.346 1.876 0.638 0.863 0.867 0.667 CB 1.376 16 residues pruned to eliminate duplicates Z: 34 19.907 1.973 0.414 0.525 0.909 0.636 CB 1.333 34 residues pruned to eliminate duplicates Z: 14 16.329 1.964 0.741 0.851 0.846 0.385 CB 1.158 14 residues pruned to eliminate duplicates Z: 32 23.179 1.826 0.770 0.670 0.871 0.581 CB 1.265 25 residues pruned to eliminate duplicates Z: 10 16.037 1.951 0.720 0.897 1.000 0.667 CB 1.141 10 residues pruned to eliminate duplicates Z: 18 25.788 1.926 0.720 0.886 0.941 0.882 CB 1.447 18 residues pruned to eliminate duplicates Z: 8 5.937 1.529 0.568 0.433 0.857 0.286 CB 1.171 Z: 29 40.060 2.030 1.107 0.921 0.893 0.286 CB 1.395 29 residues pruned to eliminate duplicates Z: 12 16.523 1.960 0.474 0.834 0.909 0.545 CB 1.422 12 residues pruned to eliminate duplicates Z: 6 6.537 1.818 0.962 0.466 0.800 0.800 CB 1.061 6 residues pruned to eliminate duplicates Z: 40 36.049 2.039 0.755 0.751 0.923 0.590 CB 1.397 40 residues pruned to eliminate duplicates Z: 12 7.819 1.732 0.291 0.402 0.818 0.636 CB 1.428 12 residues pruned to eliminate duplicates Z: 23 23.624 1.806 0.566 0.884 1.000 0.682 CB 1.287 23 residues pruned to eliminate duplicates Z: 31 20.205 1.977 0.364 0.558 0.900 0.567 CB 1.436 31 residues pruned to eliminate duplicates Z: 10 7.363 1.657 0.125 0.504 1.000 0.667 CB 1.310 10 residues pruned to eliminate duplicates Z: 13 10.704 1.707 0.318 0.889 1.000 0.833 CA 0.989 13 residues pruned to eliminate duplicates Z: 9 27.787 2.099 1.012 0.874 1.000 0.875 CB 1.694 9 residues pruned to eliminate duplicates Z: 11 10.649 1.815 0.362 0.822 0.800 0.600 CA 1.288 11 residues pruned to eliminate duplicates Z: 30 24.907 2.283 0.741 0.343 0.862 0.517 CB 1.601 30 residues pruned to eliminate duplicates Z: 10 12.721 1.925 0.475 0.865 0.889 0.556 CB 1.230 10 residues pruned to eliminate duplicates Z: 16 22.234 1.969 0.434 0.839 0.933 0.667 CA 1.626 16 residues pruned to eliminate duplicates Z: 16 20.778 1.975 0.441 0.884 0.933 0.733 CB 1.458 16 residues pruned to eliminate duplicates Z: 41 21.691 2.038 0.599 0.460 0.775 0.575 CB 1.414 41 residues pruned to eliminate duplicates Z: 12 17.264 1.805 0.283 0.892 1.000 0.909 CA 1.614 12 residues pruned to eliminate duplicates Z: 10 16.245 1.974 0.494 0.897 0.889 0.778 CB 1.479 10 residues pruned to eliminate duplicates Z: 8 21.562 2.082 0.612 0.918 1.000 1.000 CB 1.712 8 residues pruned to eliminate duplicates Z: 10 10.790 1.825 0.128 0.842 0.889 0.556 CB 1.464 9 residues pruned to eliminate duplicates Z: 11 10.928 1.863 0.397 0.891 0.900 0.800 CB 1.060 11 residues pruned to eliminate duplicates Z: 9 3.874 1.578 0.416 0.306 0.625 0.500 CB 1.217 Z: 18 15.807 1.952 0.525 0.495 0.941 0.765 CB 1.375 9 residues pruned to eliminate duplicates Z: 14 8.553 1.740 0.420 0.357 0.846 0.462 CB 1.324 14 residues pruned to eliminate duplicates Z: 17 24.911 1.975 0.454 0.875 1.000 0.625 CA 1.578 17 residues pruned to eliminate duplicates Z: 43 47.618 2.023 1.033 0.877 0.952 0.452 CB 1.363 44 residues pruned to eliminate duplicates Z: 12 24.542 1.947 0.877 0.915 1.000 0.727 CB 1.431 12 residues pruned to eliminate duplicates Z: 29 32.953 1.950 0.575 0.909 0.964 0.857 CA 1.493 29 residues pruned to eliminate duplicates Z: 28 12.768 1.864 0.641 0.425 0.667 0.370 CB 1.303 34 residues pruned to eliminate duplicates Z: 41 42.115 2.038 0.938 0.869 0.950 0.450 CB 1.297 41 residues pruned to eliminate duplicates Z: 12 16.047 2.038 0.750 0.645 0.909 0.727 CB 1.303 12 residues pruned to eliminate duplicates Z: 10 8.574 1.650 0.179 0.886 0.889 0.778 O 1.193 10 residues pruned to eliminate duplicates Z: 21 27.518 2.061 0.606 0.730 0.950 0.500 CB 1.591 21 residues pruned to eliminate duplicates Z: 19 14.622 2.028 0.564 0.373 0.944 0.556 CB 1.318 19 residues pruned to eliminate duplicates Z: 7 4.590 1.827 0.226 0.399 0.833 0.333 CB 1.116 7 residues pruned to eliminate duplicates Z: 6 2.292 1.426 0.262 0.424 0.600 0.400 N 1.028 Z: 23 19.844 1.822 0.396 0.914 0.955 0.636 CB 1.232 23 residues pruned to eliminate duplicates Z: 12 19.672 2.037 0.561 0.906 0.909 0.636 CB 1.460 12 residues pruned to eliminate duplicates Z: 13 19.539 1.772 0.918 0.851 1.000 0.667 CA 1.229 13 residues pruned to eliminate duplicates Z: 22 22.920 1.997 0.284 0.865 1.000 0.857 CB 1.430 22 residues pruned to eliminate duplicates Z: 33 20.830 1.796 0.448 0.712 0.969 0.594 CB 1.206 33 residues pruned to eliminate duplicates Z: 10 8.125 1.972 0.388 0.388 0.889 0.556 CB 1.253 10 residues pruned to eliminate duplicates Z: 12 6.453 1.689 0.264 0.607 0.909 0.545 CB 0.905 12 residues pruned to eliminate duplicates Z: 12 9.201 1.997 0.179 0.599 0.727 0.636 CB 1.475 12 residues pruned to eliminate duplicates Z: 30 40.839 1.963 0.807 0.939 1.000 0.862 CA 1.485 30 residues pruned to eliminate duplicates Z: 15 15.796 1.835 0.142 0.914 0.929 0.857 O 1.535 15 residues pruned to eliminate duplicates Z: 28 16.537 1.728 0.641 0.686 0.926 0.556 CB 1.022 28 residues pruned to eliminate duplicates Z: 16 7.415 1.688 0.453 0.415 0.733 0.533 CB 1.163 16 residues pruned to eliminate duplicates Z: 24 20.775 1.933 0.537 0.600 0.913 0.565 CB 1.451 24 residues pruned to eliminate duplicates Z: 22 19.343 1.905 0.625 0.572 0.952 0.571 CB 1.336 22 residues pruned to eliminate duplicates Z: 11 31.060 2.107 1.493 0.862 0.900 0.200 CB 1.525 11 residues pruned to eliminate duplicates Z: 40 48.730 2.206 0.896 0.731 0.897 0.718 CA 1.689 40 residues pruned to eliminate duplicates Z: 15 24.126 1.844 0.686 0.891 1.000 0.571 CB 1.491 15 residues pruned to eliminate duplicates Z: 7 6.821 1.945 0.175 0.594 1.000 0.833 CB 1.114 7 residues pruned to eliminate duplicates Z: 24 13.045 1.655 0.329 0.638 0.870 0.609 CB 1.250 19 residues pruned to eliminate duplicates Z: 22 15.068 1.676 0.102 0.947 1.000 0.952 CB 1.231 22 residues pruned to eliminate duplicates Z: 7 5.759 1.601 0.877 0.360 0.833 0.500 CB 1.092 7 residues pruned to eliminate duplicates Z: 21 14.560 1.905 0.710 0.375 0.850 0.450 CB 1.344 29 residues pruned to eliminate duplicates Z: 17 15.432 1.908 0.747 0.423 0.938 0.625 CB 1.338 23 residues pruned to eliminate duplicates Z: 21 13.784 1.981 0.620 0.486 0.850 0.550 CB 1.146 18 residues pruned to eliminate duplicates Z: 13 11.332 1.800 0.285 0.526 1.000 0.667 CB 1.378 13 residues pruned to eliminate duplicates Z: 36 24.962 1.895 0.662 0.742 0.886 0.600 CB 1.218 36 residues pruned to eliminate duplicates Z: 10 16.915 1.870 0.905 0.865 0.778 0.444 CB 1.491 10 residues pruned to eliminate duplicates Z: 16 27.964 2.013 0.809 0.893 0.933 0.733 CB 1.526 16 residues pruned to eliminate duplicates Z: 17 16.716 1.577 0.549 0.858 1.000 0.625 CB 1.260 17 residues pruned to eliminate duplicates Z: 8 5.184 1.226 0.834 0.765 0.857 0.571 CB 0.803 Z: 7 5.126 1.435 0.607 0.670 0.833 0.833 CA 0.931 Z: 20 20.888 1.716 0.688 0.932 1.000 0.895 CB 1.155 21 residues pruned to eliminate duplicates Z: 23 15.495 1.902 0.480 0.443 0.818 0.545 CB 1.520 23 residues pruned to eliminate duplicates Z: 20 19.997 2.284 0.654 0.331 0.947 0.421 CA 1.543 20 residues pruned to eliminate duplicates 6 1.881 1.546 0.004 0.478 0.800 0.400 CB 0.692 ? Z: 9 14.424 2.059 0.447 0.796 0.875 0.625 CA 1.510 9 residues pruned to eliminate duplicates Z: 31 48.392 2.259 0.632 0.920 1.000 0.833 CA 1.688 31 residues pruned to eliminate duplicates Z: 31 27.592 2.002 0.691 0.633 0.933 0.467 CB 1.407 31 residues pruned to eliminate duplicates Z: 21 36.425 2.130 1.111 0.934 0.950 0.600 CB 1.329 21 residues pruned to eliminate duplicates Z: 18 11.337 1.710 -0.050 0.929 1.000 0.882 CB 1.185 18 residues pruned to eliminate duplicates Z: 32 21.750 1.990 0.521 0.574 0.903 0.677 CB 1.330 32 residues pruned to eliminate duplicates Z: 23 17.251 1.832 0.462 0.866 0.909 0.682 CB 1.106 23 residues pruned to eliminate duplicates Z: 9 14.808 1.901 0.535 0.806 1.000 0.500 CB 1.374 9 residues pruned to eliminate duplicates Z: 6 4.118 1.438 0.522 0.465 0.800 0.600 CA 1.090 Z: 10 7.818 1.890 0.619 0.404 0.778 0.667 CB 1.211 8 residues pruned to eliminate duplicates Z: 26 22.632 2.043 0.787 0.490 0.920 0.600 CB 1.361 25 residues pruned to eliminate duplicates Z: 42 45.695 2.073 0.918 0.861 0.902 0.512 CB 1.462 42 residues pruned to eliminate duplicates Z: 7 5.684 1.486 0.049 0.779 1.000 0.667 CB 1.163 Z: 14 16.449 1.782 0.412 0.851 0.923 0.615 CB 1.453 14 residues pruned to eliminate duplicates Z: 6 3.964 1.611 0.331 0.298 1.000 1.000 C 1.036 Z: 16 11.851 1.751 0.538 0.921 0.933 0.733 CB 0.856 Z: 29 44.156 2.045 0.989 0.935 0.964 0.607 CB 1.482 29 residues pruned to eliminate duplicates Z: 13 15.689 1.905 0.420 0.863 1.000 0.667 CB 1.229 13 residues pruned to eliminate duplicates Z: 9 14.893 1.905 0.792 0.732 0.875 0.500 CB 1.431 9 residues pruned to eliminate duplicates Z: 7 4.161 1.552 0.179 0.628 0.833 0.667 CB 0.988 Z: 25 16.722 2.110 0.603 0.357 0.792 0.500 CB 1.488 25 residues pruned to eliminate duplicates Z: 13 20.042 1.795 1.050 0.875 0.917 0.750 CA 1.247 13 residues pruned to eliminate duplicates Z: 66 50.401 2.198 0.505 0.734 0.985 0.631 CA 1.555 64 residues pruned to eliminate duplicates Z: 9 18.454 1.885 0.696 0.911 1.000 0.750 CB 1.446 9 residues pruned to eliminate duplicates Z: 6 4.224 1.783 0.521 0.479 0.600 0.200 CB 1.185 6 residues pruned to eliminate duplicates Z: 7 5.657 1.714 0.161 0.491 1.000 0.833 CB 1.170 7 residues pruned to eliminate duplicates Z: 11 13.709 1.808 0.400 0.860 1.000 0.700 CB 1.260 11 residues pruned to eliminate duplicates Z: 6 4.089 2.124 0.329 0.490 0.600 0.600 CB 1.090 6 residues pruned to eliminate duplicates Z: 7 5.018 1.434 0.700 0.715 0.833 0.333 C 0.830 Z: 16 13.291 1.774 0.275 0.883 0.933 0.667 CB 1.176 16 residues pruned to eliminate duplicates Z: 41 51.200 2.146 0.880 0.776 1.000 0.800 CA 1.572 41 residues pruned to eliminate duplicates Z: 16 6.704 1.776 0.170 0.365 0.800 0.533 CB 1.204 16 residues pruned to eliminate duplicates Z: 7 15.504 2.074 0.356 0.884 1.000 0.833 CA 1.626 7 residues pruned to eliminate duplicates Z: 16 10.866 1.903 0.460 0.531 0.733 0.533 CB 1.335 16 residues pruned to eliminate duplicates Z: 11 14.072 1.691 0.378 0.906 1.000 0.900 CB 1.359 11 residues pruned to eliminate duplicates Z: 8 14.336 2.060 0.209 0.849 1.000 0.714 CB 1.613 8 residues pruned to eliminate duplicates Z: 79 46.177 2.161 0.673 0.531 0.910 0.590 CB 1.541 81 residues pruned to eliminate duplicates Z: 13 5.685 1.754 0.146 0.496 0.917 0.583 CB 0.895 13 residues pruned to eliminate duplicates Z: 17 19.939 1.928 0.321 0.895 1.000 0.938 CA 1.403 17 residues pruned to eliminate duplicates Z: 11 14.128 1.966 0.432 0.455 1.000 0.700 CA 1.661 11 residues pruned to eliminate duplicates Z: 9 13.704 1.953 0.517 0.638 1.000 0.750 CB 1.438 9 residues pruned to eliminate duplicates Z: 6 2.172 1.765 0.428 0.686 1.000 1.000 CB 0.325 6 residues pruned to eliminate duplicates Z: 14 15.540 1.764 0.334 0.914 1.000 1.000 CB 1.295 14 residues pruned to eliminate duplicates Z: 7 3.322 1.473 0.194 0.442 0.833 0.500 CB 0.982 Z: 15 16.530 1.674 0.732 0.887 1.000 0.714 CB 1.099 31 residues pruned to eliminate duplicates Z: 12 16.489 1.782 0.368 0.886 1.000 0.909 CB 1.473 12 residues pruned to eliminate duplicates Z: 13 21.192 1.828 0.504 0.937 1.000 1.000 CA 1.549 13 residues pruned to eliminate duplicates Z: 17 15.165 1.643 0.654 0.932 0.938 0.688 CB 1.040 17 residues pruned to eliminate duplicates Z: 6 3.716 1.508 0.480 0.364 0.800 0.400 N 1.077 Z: 14 16.933 1.757 0.704 0.817 1.000 0.615 CB 1.191 14 residues pruned to eliminate duplicates Z: 16 14.815 1.628 0.325 0.896 1.000 0.933 CA 1.270 16 residues pruned to eliminate duplicates Z: 13 12.364 1.654 0.593 0.870 1.000 0.417 CB 0.989 13 residues pruned to eliminate duplicates Z: 52 27.766 2.168 0.673 0.421 0.863 0.471 CB 1.350 52 residues pruned to eliminate duplicates Z: 30 23.554 1.970 0.438 0.660 0.931 0.724 CB 1.429 30 residues pruned to eliminate duplicates Z: 16 7.522 1.687 0.487 0.409 0.733 0.467 CB 1.162 12 residues pruned to eliminate duplicates Z: 8 18.422 2.095 0.892 0.897 0.857 0.429 CA 1.467 8 residues pruned to eliminate duplicates Z: 6 2.583 1.432 -0.166 0.579 0.800 0.600 CB 1.121 Z: 9 6.431 1.680 0.309 0.428 0.875 0.625 CB 1.274 9 residues pruned to eliminate duplicates 6 1.692 1.378 0.173 0.427 0.800 0.600 CB 0.631 ? Z: 16 14.611 1.660 0.504 0.926 0.933 0.800 CB 1.135 Z: 26 49.858 2.317 1.234 0.701 1.000 0.800 CB 1.605 26 residues pruned to eliminate duplicates Z: 16 21.892 1.982 0.621 0.868 0.933 0.600 CB 1.378 16 residues pruned to eliminate duplicates Z: 16 8.839 1.741 0.223 0.459 0.933 0.733 CB 1.197 16 residues pruned to eliminate duplicates Z: 16 5.013 1.726 0.492 0.300 0.667 0.333 N 0.943 11 residues pruned to eliminate duplicates Z: 7 4.547 1.786 0.053 0.648 0.833 0.500 CB 1.032 7 residues pruned to eliminate duplicates Z: 28 28.192 2.171 0.624 0.531 0.963 0.556 CB 1.549 28 residues pruned to eliminate duplicates Z: 7 3.736 1.421 0.351 0.303 1.000 0.667 N 0.990 Z: 28 19.115 1.929 0.540 0.482 0.889 0.370 CB 1.419 28 residues pruned to eliminate duplicates Z: 14 14.988 1.807 0.474 0.914 0.923 0.538 CB 1.196 14 residues pruned to eliminate duplicates Z: 30 23.348 2.210 0.571 0.348 0.931 0.448 CA 1.582 30 residues pruned to eliminate duplicates Z: 8 2.762 1.503 0.387 0.305 0.571 0.429 C 1.089 Z: 22 18.117 1.830 0.232 0.931 0.952 0.952 CB 1.287 22 residues pruned to eliminate duplicates Z: 9 6.947 1.606 0.290 0.430 1.000 0.500 N 1.275 8 residues pruned to eliminate duplicates Z: 11 10.404 1.783 0.267 0.820 0.900 0.500 CB 1.226 11 residues pruned to eliminate duplicates 6 1.224 1.437 0.401 0.395 0.600 0.400 CB 0.507 ? Z: 9 6.335 1.635 0.050 0.678 1.000 0.875 CB 1.107 9 residues pruned to eliminate duplicates Z: 13 14.647 1.728 0.457 0.917 1.000 0.750 CB 1.185 13 residues pruned to eliminate duplicates Z: 29 26.374 1.963 0.571 0.667 0.929 0.679 CB 1.491 29 residues pruned to eliminate duplicates Z: 23 20.332 1.801 0.455 0.924 0.955 0.818 CB 1.217 23 residues pruned to eliminate duplicates Z: 24 24.671 2.159 0.569 0.609 0.913 0.652 CB 1.500 24 residues pruned to eliminate duplicates Z: 14 9.511 1.649 0.264 0.827 0.923 0.769 CB 1.033 14 residues pruned to eliminate duplicates Z: 6 2.313 1.517 0.211 0.365 0.600 0.400 CB 1.085 Z: 10 7.121 1.316 0.378 0.836 0.889 0.778 CB 1.102 Z: 6 10.171 1.857 0.432 0.649 1.000 0.400 CB 1.489 6 residues pruned to eliminate duplicates Z: 8 14.057 1.862 0.484 0.758 1.000 0.714 CA 1.528 8 residues pruned to eliminate duplicates Z: 8 7.316 1.644 0.392 0.860 1.000 0.857 CA 0.888 8 residues pruned to eliminate duplicates Z: 9 5.463 1.448 0.547 0.542 0.875 0.875 CA 0.946 7 residues pruned to eliminate duplicates Z: 13 23.325 2.137 0.469 0.900 1.000 1.000 CB 1.532 13 residues pruned to eliminate duplicates Z: 15 22.047 1.987 0.796 0.928 0.929 0.500 CB 1.244 15 residues pruned to eliminate duplicates Z: 46 24.579 2.152 0.409 0.419 0.800 0.511 CB 1.644 46 residues pruned to eliminate duplicates Z: 27 24.225 2.246 0.633 0.346 0.923 0.538 CA 1.658 27 residues pruned to eliminate duplicates Z: 14 11.233 1.706 0.232 0.856 1.000 1.000 CB 1.093 14 residues pruned to eliminate duplicates Z: 7 14.995 1.924 0.834 0.874 1.000 0.833 CB 1.263 7 residues pruned to eliminate duplicates Z: 27 21.760 2.071 0.562 0.494 0.846 0.731 CB 1.569 27 residues pruned to eliminate duplicates Z: 12 14.102 1.762 0.242 0.895 1.000 0.818 CB 1.393 12 residues pruned to eliminate duplicates Z: 7 4.275 1.435 0.647 0.390 0.833 0.500 CB 0.995 Z: 41 29.111 2.102 0.712 0.499 0.925 0.550 CB 1.384 41 residues pruned to eliminate duplicates Z: 18 6.922 1.783 0.476 0.403 0.824 0.529 CB 0.858 18 residues pruned to eliminate duplicates Z: 9 2.309 1.480 -0.107 0.352 0.750 0.250 CA 0.967 Z: 8 7.472 1.629 0.318 0.689 0.857 0.429 C 1.290 8 residues pruned to eliminate duplicates Z: 7 3.557 1.464 0.528 0.657 1.000 0.500 CB 0.561 Z: 65 28.556 1.948 0.490 0.524 0.891 0.594 CB 1.348 82 residues pruned to eliminate duplicates Z: 9 2.219 1.652 -0.046 0.473 0.875 0.625 CB 0.585 9 residues pruned to eliminate duplicates Z: 11 13.481 1.800 0.277 0.888 1.000 0.900 CB 1.337 10 residues pruned to eliminate duplicates 6 1.992 1.368 0.589 0.324 0.600 0.400 N 0.829 ? Z: 51 28.336 2.207 0.543 0.427 0.880 0.440 CB 1.442 51 residues pruned to eliminate duplicates Z: 9 4.699 1.470 0.135 0.643 1.000 0.625 CB 0.871 Z: 28 28.442 2.226 0.841 0.676 0.778 0.593 CB 1.461 28 residues pruned to eliminate duplicates Z: 17 8.354 1.673 0.245 0.351 0.938 0.438 CB 1.257 17 residues pruned to eliminate duplicates Z: 23 18.819 1.782 0.321 0.905 1.000 0.864 CB 1.213 23 residues pruned to eliminate duplicates Z: 17 11.823 1.577 0.168 0.933 1.000 0.812 CB 1.120 17 residues pruned to eliminate duplicates Z: 43 24.780 2.119 0.633 0.479 0.833 0.571 CB 1.354 45 residues pruned to eliminate duplicates Z: 11 13.208 1.772 0.367 0.866 0.900 0.800 CB 1.402 11 residues pruned to eliminate duplicates Z: 71 46.840 2.259 0.765 0.469 0.929 0.543 CB 1.561 71 residues pruned to eliminate duplicates Z: 13 12.974 1.630 0.352 0.922 1.000 1.000 CB 1.195 13 residues pruned to eliminate duplicates Z: 14 13.315 1.735 0.403 0.869 1.000 0.692 CB 1.108 15 residues pruned to eliminate duplicates Z: 15 14.912 1.693 0.416 0.864 1.000 0.786 CB 1.218 15 residues pruned to eliminate duplicates Z: 13 18.806 2.083 0.288 0.809 0.917 0.750 CA 1.687 13 residues pruned to eliminate duplicates Z: 6 2.669 1.512 -0.032 0.490 1.000 0.800 CB 0.823 Z: 12 5.139 1.479 0.323 0.301 0.909 0.545 CB 1.087 6 residues pruned to eliminate duplicates Z: 8 7.131 1.624 0.274 0.861 1.000 0.857 CB 0.957 8 residues pruned to eliminate duplicates Z: 9 12.451 1.842 0.387 0.832 1.000 0.750 CA 1.294 9 residues pruned to eliminate duplicates Z: 7 9.870 1.644 0.413 0.788 1.000 0.667 CB 1.346 Z: 14 19.492 1.987 0.615 0.841 1.000 0.846 CB 1.256 14 residues pruned to eliminate duplicates Z: 62 34.663 2.188 0.748 0.413 0.885 0.541 CB 1.436 62 residues pruned to eliminate duplicates Z: 22 18.716 1.815 0.326 0.918 1.000 0.905 CB 1.196 22 residues pruned to eliminate duplicates Z: 16 17.360 1.937 0.109 0.864 1.000 1.000 CB 1.529 16 residues pruned to eliminate duplicates Z: 21 17.222 1.678 0.584 0.876 0.950 0.800 CB 1.109 21 residues pruned to eliminate duplicates Z: 7 4.974 1.777 0.257 0.706 0.833 0.500 CB 0.904 6 residues pruned to eliminate duplicates Z: 69 38.280 2.025 0.559 0.673 0.882 0.500 CB 1.421 69 residues pruned to eliminate duplicates Z: 8 14.352 1.818 0.812 0.890 1.000 1.000 CB 1.185 8 residues pruned to eliminate duplicates Z: 14 4.485 1.570 0.145 0.429 0.769 0.462 CB 0.968 Z: 12 18.897 1.889 0.600 0.915 1.000 0.909 CB 1.331 7 residues pruned to eliminate duplicates Z: 7 8.252 1.509 0.818 0.807 1.000 0.500 CA 0.940 9 residues pruned to eliminate duplicates Z: 8 7.034 1.534 0.738 0.467 0.857 0.571 CA 1.203 Z: 11 11.460 1.769 0.328 0.872 0.900 0.800 CB 1.250 11 residues pruned to eliminate duplicates Z: 60 32.482 2.165 0.718 0.452 0.898 0.559 CB 1.331 60 residues pruned to eliminate duplicates Z: 50 63.358 2.278 0.987 0.783 0.959 0.878 CA 1.625 50 residues pruned to eliminate duplicates Z: 12 15.958 1.851 0.496 0.820 0.909 0.909 CA 1.448 12 residues pruned to eliminate duplicates Z: 9 6.613 1.860 0.352 0.578 0.875 0.625 CB 0.986 9 residues pruned to eliminate duplicates Z: 7 2.713 1.411 0.292 0.258 0.833 0.500 N 0.961 Z: 18 10.146 1.671 0.370 0.462 0.941 0.647 CB 1.187 18 residues pruned to eliminate duplicates Z: 12 14.134 1.667 0.527 0.906 1.000 0.909 CB 1.191 12 residues pruned to eliminate duplicates Z: 18 6.967 1.821 0.505 0.315 0.706 0.529 CB 1.071 18 residues pruned to eliminate duplicates Z: 16 10.203 1.976 0.538 0.441 0.800 0.667 CB 1.152 16 residues pruned to eliminate duplicates Z: 25 22.180 2.194 0.684 0.465 0.875 0.583 CB 1.451 25 residues pruned to eliminate duplicates Z: 38 38.953 2.077 0.680 0.766 0.973 0.568 CB 1.489 38 residues pruned to eliminate duplicates Z: 22 22.143 1.822 0.470 0.940 1.000 0.857 CB 1.253 22 residues pruned to eliminate duplicates Z: 17 22.225 1.895 0.662 0.865 0.875 0.750 CA 1.477 17 residues pruned to eliminate duplicates Z: 7 9.539 1.730 0.925 0.697 0.833 0.500 N 1.172 7 residues pruned to eliminate duplicates Z: 6 6.401 2.001 0.644 0.695 0.800 0.800 CB 0.910 7 residues pruned to eliminate duplicates Z: 48 45.892 2.199 0.701 0.699 0.915 0.809 CA 1.632 48 residues pruned to eliminate duplicates Z: 11 4.246 1.477 0.324 0.511 0.800 0.400 CB 0.849 Z: 13 10.453 1.618 0.507 0.815 1.000 0.500 CB 0.941 12 residues pruned to eliminate duplicates Z: 16 18.794 1.678 0.631 0.900 1.000 0.733 CB 1.266 16 residues pruned to eliminate duplicates Z: 10 3.492 1.475 0.494 0.344 0.667 0.556 CB 0.938 Z: 14 13.832 1.758 0.220 0.902 1.000 0.923 CA 1.276 14 residues pruned to eliminate duplicates Z: 12 16.066 1.848 0.731 0.904 0.909 0.818 CB 1.187 11 residues pruned to eliminate duplicates Z: 14 17.336 1.680 0.565 0.922 1.000 0.769 CB 1.285 13 residues pruned to eliminate duplicates Z: 6 15.413 1.905 0.623 0.861 1.000 0.800 N 1.637 6 residues pruned to eliminate duplicates Z: 10 10.511 1.564 0.769 0.714 0.889 0.778 CB 1.173 10 residues pruned to eliminate duplicates Z: 22 19.109 1.929 0.484 0.845 0.810 0.429 CB 1.338 22 residues pruned to eliminate duplicates 6 1.641 1.215 0.665 0.332 0.600 0.400 N 0.727 ? Z: 12 4.334 1.376 0.307 0.416 0.727 0.455 CB 1.092 Z: 14 13.496 1.749 0.455 0.661 0.923 0.769 CB 1.372 13 residues pruned to eliminate duplicates Z: 7 5.644 1.604 0.220 0.839 1.000 0.833 CB 0.879 Z: 14 7.005 1.737 0.186 0.753 0.846 0.615 CB 0.890 14 residues pruned to eliminate duplicates Z: 24 42.589 2.212 1.100 0.906 1.000 0.391 CB 1.360 24 residues pruned to eliminate duplicates Z: 9 11.656 1.762 0.401 0.900 1.000 1.000 CB 1.193 9 residues pruned to eliminate duplicates Z: 7 2.343 1.179 0.451 0.417 1.000 0.500 CB 0.610 Z: 6 16.627 2.267 0.935 0.827 1.000 1.000 CB 1.277 6 residues pruned to eliminate duplicates Z: 24 17.073 2.236 0.625 0.244 0.826 0.391 CB 1.593 24 residues pruned to eliminate duplicates Z: 19 5.899 1.721 0.460 0.339 0.667 0.611 CB 0.989 19 residues pruned to eliminate duplicates 6 1.949 1.240 0.636 0.299 0.600 0.400 C 0.897 ? Z: 7 5.236 1.544 0.626 0.653 0.833 0.833 CA 0.887 Z: 10 6.350 1.547 0.103 0.888 1.000 0.778 CB 0.894 10 residues pruned to eliminate duplicates Z: 27 16.526 1.973 0.483 0.582 0.846 0.615 CB 1.210 33 residues pruned to eliminate duplicates Z: 21 26.908 2.286 1.035 0.531 0.900 0.550 CB 1.393 21 residues pruned to eliminate duplicates Z: 89 52.377 2.160 0.741 0.593 0.875 0.693 CB 1.553 89 residues pruned to eliminate duplicates Z: 6 3.808 1.694 0.429 0.410 0.600 0.200 O 1.289 Z: 7 7.655 1.631 0.517 0.850 1.000 0.333 CB 0.936 7 residues pruned to eliminate duplicates Z: 8 12.580 1.702 0.781 0.576 1.000 0.571 N 1.459 9 residues pruned to eliminate duplicates Z: 62 43.503 2.238 0.781 0.476 0.934 0.459 CB 1.533 62 residues pruned to eliminate duplicates Z: 9 3.448 1.579 0.600 0.407 0.750 0.250 CB 0.710 Z: 27 26.891 1.940 0.614 0.869 0.885 0.692 CB 1.391 27 residues pruned to eliminate duplicates Z: 7 13.072 1.802 0.899 0.828 1.000 0.833 CA 1.175 7 residues pruned to eliminate duplicates Z: 32 23.844 1.996 0.501 0.572 0.903 0.548 CB 1.477 32 residues pruned to eliminate duplicates Z: 57 48.908 2.145 0.921 0.622 0.929 0.589 CA 1.522 57 residues pruned to eliminate duplicates Z: 6 3.015 1.853 0.139 0.197 0.600 0.400 O 1.528 Z: 18 19.564 1.966 0.647 0.477 0.941 0.588 CB 1.593 18 residues pruned to eliminate duplicates Z: 6 2.414 1.411 0.878 0.437 0.800 0.400 CB 0.544 Z: 12 23.299 2.019 0.524 0.912 1.000 0.909 CB 1.617 12 residues pruned to eliminate duplicates Z: 9 13.115 1.991 0.395 0.848 0.875 0.875 CA 1.415 9 residues pruned to eliminate duplicates Z: 40 26.682 2.135 0.591 0.536 0.846 0.564 CB 1.434 40 residues pruned to eliminate duplicates Z: 9 13.178 1.799 1.000 0.705 0.875 0.625 CA 1.228 9 residues pruned to eliminate duplicates Z: 7 3.079 1.492 0.008 0.456 0.833 0.500 CB 1.050 Z: 15 8.993 1.942 0.530 0.476 0.786 0.500 CB 1.055 15 residues pruned to eliminate duplicates Z: 6 7.545 1.866 0.289 0.852 1.000 1.000 CB 1.037 6 residues pruned to eliminate duplicates 7 1.007 1.239 -0.030 0.600 0.667 0.500 CB 0.467 ? Z: 6 3.913 1.427 -0.064 0.795 0.800 0.800 N 1.265 6 residues pruned to eliminate duplicates Z: 14 9.287 1.871 0.335 0.443 0.769 0.385 CB 1.422 14 residues pruned to eliminate duplicates Z: 20 25.918 2.205 1.033 0.521 0.842 0.526 CB 1.542 20 residues pruned to eliminate duplicates Z: 6 5.128 1.701 0.768 0.539 0.800 0.400 O 0.917 6 residues pruned to eliminate duplicates Z: 16 18.596 1.745 0.655 0.898 0.933 0.333 CB 1.274 16 residues pruned to eliminate duplicates Z: 23 17.531 1.815 0.568 0.717 0.864 0.682 CB 1.249 23 residues pruned to eliminate duplicates Z: 6 3.986 1.368 0.343 0.514 1.000 0.400 N 0.957 Z: 6 2.558 1.419 -0.010 0.451 0.800 0.600 CB 1.070 Z: 6 5.340 1.974 -0.105 0.523 1.000 0.800 CB 1.322 8 residues pruned to eliminate duplicates Z: 26 11.475 1.616 0.462 0.632 0.840 0.520 CB 1.022 25 residues pruned to eliminate duplicates Z: 8 20.487 2.014 0.732 0.776 1.000 0.429 N 1.740 8 residues pruned to eliminate duplicates Z: 29 25.324 2.096 0.578 0.514 0.964 0.714 CB 1.480 29 residues pruned to eliminate duplicates Z: 11 8.986 1.745 0.664 0.445 0.700 0.400 CA 1.481 11 residues pruned to eliminate duplicates Z: 38 25.280 1.835 0.691 0.716 0.919 0.649 CB 1.198 38 residues pruned to eliminate duplicates Z: 9 18.032 1.733 0.863 0.897 1.000 0.875 N 1.413 9 residues pruned to eliminate duplicates Z: 7 6.035 1.880 0.574 0.717 1.000 0.667 CB 0.684 7 residues pruned to eliminate duplicates Z: 6 11.493 2.087 0.574 0.854 1.000 0.800 CA 1.155 6 residues pruned to eliminate duplicates Z: 23 11.268 1.838 0.960 0.401 0.727 0.591 CB 1.017 23 residues pruned to eliminate duplicates Z: 15 16.933 1.870 0.615 0.706 0.929 0.643 CA 1.338 15 residues pruned to eliminate duplicates Z: 6 3.221 1.413 0.441 0.401 0.800 0.600 O 0.981 6 residues pruned to eliminate duplicates Z: 12 16.616 1.918 0.742 0.896 0.909 0.455 CB 1.182 12 residues pruned to eliminate duplicates Z: 6 3.178 1.515 0.552 0.515 0.800 0.600 C 0.744 Z: 6 2.308 1.371 0.510 0.428 0.600 0.400 N 0.895 Z: 31 28.246 2.177 0.777 0.354 0.967 0.533 CA 1.616 31 residues pruned to eliminate duplicates Z: 10 3.788 1.351 -0.087 0.876 1.000 0.778 CB 0.744 8 residues pruned to eliminate duplicates Z: 20 16.444 1.671 0.632 0.922 1.000 0.789 CB 0.973 20 residues pruned to eliminate duplicates Z: 11 15.219 1.747 0.567 0.847 1.000 0.700 CB 1.306 11 residues pruned to eliminate duplicates Z: 13 11.544 2.161 0.283 0.506 0.833 0.833 CB 1.435 13 residues pruned to eliminate duplicates Z: 13 30.497 1.936 1.509 0.871 1.000 0.417 CB 1.321 13 residues pruned to eliminate duplicates Z: 6 3.857 1.427 0.443 0.823 0.800 0.600 N 0.792 Z: 13 7.315 1.551 0.600 0.737 0.833 0.583 CB 0.825 13 residues pruned to eliminate duplicates Z: 7 7.955 1.603 0.566 0.864 1.000 0.667 CB 0.948 7 residues pruned to eliminate duplicates Z: 19 31.758 2.035 1.084 0.881 0.944 0.722 CB 1.353 19 residues pruned to eliminate duplicates Z: 16 18.464 1.887 0.328 0.935 1.000 1.000 CA 1.326 16 residues pruned to eliminate duplicates Z: 13 13.126 1.767 0.651 0.811 0.833 0.583 CB 1.189 12 residues pruned to eliminate duplicates Z: 20 13.570 1.714 0.170 0.757 0.947 0.737 CA 1.304 20 residues pruned to eliminate duplicates Z: 13 13.421 1.804 1.072 0.831 0.917 0.500 CB 0.850 13 residues pruned to eliminate duplicates Z: 27 15.053 1.946 0.366 0.502 0.808 0.538 CB 1.372 27 residues pruned to eliminate duplicates Z: 67 45.512 2.218 0.714 0.534 0.894 0.636 CB 1.594 67 residues pruned to eliminate duplicates Z: 20 18.330 1.741 0.427 0.909 1.000 0.947 CB 1.201 15 residues pruned to eliminate duplicates Z: 17 17.685 1.959 0.772 0.612 0.938 0.750 CB 1.221 17 residues pruned to eliminate duplicates Z: 14 17.761 1.736 0.569 0.904 0.923 0.462 CB 1.395 14 residues pruned to eliminate duplicates Z: 18 10.676 1.792 0.472 0.490 0.882 0.647 CB 1.124 18 residues pruned to eliminate duplicates Z: 19 27.593 2.055 1.094 0.851 0.889 0.444 CB 1.258 19 residues pruned to eliminate duplicates Z: 22 14.202 1.883 0.685 0.523 0.952 0.571 CB 1.002 22 residues pruned to eliminate duplicates Z: 14 13.975 1.841 0.172 0.922 1.000 0.923 CA 1.263 14 residues pruned to eliminate duplicates Z: 29 24.692 1.989 0.286 0.710 0.964 0.750 CA 1.563 29 residues pruned to eliminate duplicates Z: 12 31.491 2.270 0.583 0.889 1.000 0.727 CA 1.902 12 residues pruned to eliminate duplicates Z: 10 5.644 1.553 0.327 0.543 0.778 0.333 C 1.126 Z: 10 3.669 1.546 0.214 0.242 0.889 0.333 CB 0.988 10 residues pruned to eliminate duplicates Z: 16 17.430 1.867 0.446 0.599 1.000 0.667 CA 1.517 16 residues pruned to eliminate duplicates Z: 9 19.178 2.058 0.937 0.878 0.875 0.750 CB 1.410 9 residues pruned to eliminate duplicates Z: 31 23.901 1.911 0.467 0.641 0.900 0.767 CB 1.516 31 residues pruned to eliminate duplicates Z: 7 4.512 1.497 0.007 0.733 0.833 0.833 CB 1.189 7 residues pruned to eliminate duplicates Z: 14 9.334 1.872 0.539 0.354 1.000 0.538 CB 1.052 14 residues pruned to eliminate duplicates Z: 14 24.403 1.862 1.091 0.881 1.000 0.615 CB 1.259 14 residues pruned to eliminate duplicates Z: 10 14.812 2.058 0.383 0.742 1.000 0.778 CA 1.396 10 residues pruned to eliminate duplicates Z: 11 14.312 1.792 0.554 0.832 0.900 0.800 CB 1.356 11 residues pruned to eliminate duplicates Z: 7 2.873 1.702 0.175 0.394 0.833 0.833 CA 0.788 Z: 27 31.850 1.972 0.497 0.919 1.000 1.000 CA 1.491 27 residues pruned to eliminate duplicates Z: 10 3.045 1.328 0.432 0.335 0.778 0.556 CB 0.821 Z: 11 8.567 1.741 0.121 0.862 0.800 0.800 CB 1.274 11 residues pruned to eliminate duplicates Z: 45 24.676 2.099 0.676 0.505 0.795 0.523 CB 1.324 45 residues pruned to eliminate duplicates Z: 16 24.722 1.997 0.892 0.854 0.800 0.400 CB 1.560 16 residues pruned to eliminate duplicates Z: 6 2.166 1.593 0.341 0.436 0.600 0.400 CB 0.808 Z: 8 2.254 1.465 0.196 0.308 0.714 0.286 CB 0.843 Z: 12 10.361 1.608 0.663 0.848 0.909 0.727 CB 0.954 13 residues pruned to eliminate duplicates Z: 19 19.416 1.993 0.735 0.662 0.889 0.500 CB 1.281 19 residues pruned to eliminate duplicates Z: 7 7.053 1.769 0.303 0.797 1.000 0.833 CB 0.963 Z: 33 17.870 1.720 0.838 0.664 0.906 0.469 CB 0.947 33 residues pruned to eliminate duplicates Z: 7 4.132 1.507 0.958 0.438 0.833 0.500 CB 0.731 Z: 45 22.607 1.949 0.414 0.565 0.886 0.636 CB 1.310 45 residues pruned to eliminate duplicates Z: 44 41.296 2.174 0.717 0.634 0.907 0.698 CB 1.640 44 residues pruned to eliminate duplicates Z: 6 5.118 1.533 0.336 0.450 1.000 0.600 N 1.176 Z: 8 3.824 1.691 -0.115 0.508 0.857 0.714 CB 1.117 8 residues pruned to eliminate duplicates Z: 27 41.481 2.114 1.113 0.932 0.923 0.308 CB 1.378 27 residues pruned to eliminate duplicates Z: 8 2.155 1.570 0.022 0.366 0.714 0.571 CB 0.821 6 residues pruned to eliminate duplicates Z: 10 5.239 1.568 0.245 0.541 0.889 0.222 CB 0.968 Z: 56 54.362 2.130 1.070 0.732 0.909 0.364 CB 1.485 56 residues pruned to eliminate duplicates Z: 12 6.361 1.516 0.164 0.649 1.000 0.545 CB 0.946 7 residues pruned to eliminate duplicates Z: 23 18.433 1.854 0.363 0.640 1.000 0.818 CB 1.364 25 residues pruned to eliminate duplicates Z: 8 9.370 1.950 0.215 0.856 1.000 0.714 CB 1.103 8 residues pruned to eliminate duplicates Z: 7 2.540 1.486 0.370 0.232 0.667 0.333 N 1.043 Z: 9 3.867 1.222 0.553 0.386 0.875 0.375 CB 0.929 Z: 28 22.358 1.972 0.386 0.640 0.963 0.593 CB 1.435 28 residues pruned to eliminate duplicates Z: 24 18.485 1.900 0.679 0.549 0.957 0.522 CB 1.204 24 residues pruned to eliminate duplicates Z: 30 24.703 1.874 0.676 0.649 0.897 0.724 CB 1.417 30 residues pruned to eliminate duplicates Z: 22 17.606 1.760 0.773 0.678 0.952 0.571 CB 1.097 22 residues pruned to eliminate duplicates Z: 15 16.730 1.727 0.434 0.901 0.929 0.500 CB 1.388 14 residues pruned to eliminate duplicates Z: 24 12.852 1.596 0.575 0.632 0.870 0.391 CB 1.083 24 residues pruned to eliminate duplicates Z: 6 3.735 1.844 -0.002 0.494 0.800 0.600 CA 1.141 6 residues pruned to eliminate duplicates Z: 20 20.056 1.952 0.636 0.508 0.895 0.789 CB 1.597 20 residues pruned to eliminate duplicates Z: 19 15.787 1.842 0.888 0.522 0.778 0.444 CB 1.347 19 residues pruned to eliminate duplicates Z: 11 3.995 1.479 0.394 0.374 0.800 0.500 CB 0.877 11 residues pruned to eliminate duplicates Z: 7 6.043 1.518 0.478 0.861 1.000 0.667 CB 0.808 8 residues pruned to eliminate duplicates Z: 28 27.841 1.999 0.499 0.664 0.963 0.741 CB 1.595 28 residues pruned to eliminate duplicates Z: 14 13.429 1.603 0.418 0.896 0.923 0.923 CA 1.271 14 residues pruned to eliminate duplicates Z: 7 7.362 1.669 0.411 0.873 1.000 1.000 CB 0.930 6 residues pruned to eliminate duplicates Z: 16 19.236 1.888 0.437 0.895 1.000 0.867 CA 1.313 16 residues pruned to eliminate duplicates Z: 15 14.825 1.768 0.551 0.778 0.857 0.714 CB 1.319 15 residues pruned to eliminate duplicates Z: 6 3.504 1.527 0.365 0.423 0.800 0.800 N 1.018 Z: 8 6.339 1.637 0.377 0.397 1.000 0.571 CB 1.186 Z: 22 20.350 1.663 0.621 0.925 1.000 0.810 CB 1.156 23 residues pruned to eliminate duplicates Z: 41 21.210 1.871 0.507 0.507 0.875 0.650 CB 1.350 41 residues pruned to eliminate duplicates Z: 14 22.528 2.028 0.459 0.853 1.000 0.769 CA 1.560 15 residues pruned to eliminate duplicates Z: 8 6.095 1.594 0.160 0.716 1.000 0.857 CB 1.025 8 residues pruned to eliminate duplicates Z: 14 14.270 1.695 0.384 0.926 1.000 0.923 CB 1.183 14 residues pruned to eliminate duplicates 9 1.990 2.033 -0.092 0.247 0.750 0.625 CB 0.681 ? Z: 9 16.808 2.042 0.769 0.850 0.750 0.375 CA 1.625 9 residues pruned to eliminate duplicates Z: 37 38.510 2.087 1.100 0.665 0.889 0.639 CB 1.414 37 residues pruned to eliminate duplicates Z: 38 21.791 2.109 0.568 0.345 0.946 0.405 CB 1.356 38 residues pruned to eliminate duplicates Z: 8 2.183 1.449 0.428 0.362 0.571 0.286 CB 0.810 Z: 7 4.532 1.368 0.205 0.675 0.833 0.500 CB 1.146 7 residues pruned to eliminate duplicates Z: 19 13.725 1.959 0.499 0.431 0.889 0.722 CB 1.331 19 residues pruned to eliminate duplicates Z: 20 15.155 1.679 0.681 0.758 0.947 0.632 CB 1.034 16 residues pruned to eliminate duplicates Z: 19 22.729 1.798 0.683 0.862 0.944 0.667 CB 1.376 19 residues pruned to eliminate duplicates Z: 12 15.636 1.690 0.632 0.889 0.909 0.727 N 1.353 12 residues pruned to eliminate duplicates Z: 7 3.590 1.457 0.256 0.636 1.000 0.500 N 0.705 Z: 20 17.384 1.814 0.841 0.913 0.895 0.368 CB 0.944 20 residues pruned to eliminate duplicates Z: 12 13.253 1.695 0.360 0.935 1.000 1.000 CB 1.208 12 residues pruned to eliminate duplicates Z: 6 16.129 2.218 0.799 0.784 1.000 1.000 CB 1.408 6 residues pruned to eliminate duplicates Z: 11 15.711 1.927 0.450 0.782 0.900 0.500 CB 1.541 11 residues pruned to eliminate duplicates Z: 12 17.504 2.050 0.445 0.828 0.909 0.727 CA 1.476 12 residues pruned to eliminate duplicates Z: 26 24.483 2.179 0.682 0.538 0.840 0.640 CB 1.532 26 residues pruned to eliminate duplicates Z: 24 28.300 1.910 0.550 0.866 0.957 0.783 CB 1.526 24 residues pruned to eliminate duplicates Z: 7 5.290 1.623 0.749 0.318 0.833 0.500 CA 1.116 7 residues pruned to eliminate duplicates Z: 20 12.089 1.764 0.072 0.856 0.947 0.947 CB 1.141 20 residues pruned to eliminate duplicates Z: 35 35.593 2.307 0.761 0.472 0.912 0.647 CA 1.696 35 residues pruned to eliminate duplicates Z: 23 16.748 1.615 0.736 0.865 0.864 0.545 CB 1.081 23 residues pruned to eliminate duplicates Z: 7 7.511 1.556 0.470 0.701 1.000 0.833 CB 1.116 7 residues pruned to eliminate duplicates Z: 8 5.437 1.732 0.226 0.578 0.714 0.286 CB 1.257 Z: 29 24.783 1.870 0.333 0.760 0.964 0.643 CB 1.546 29 residues pruned to eliminate duplicates Z: 42 18.148 1.963 0.510 0.468 0.780 0.561 CB 1.266 42 residues pruned to eliminate duplicates Z: 11 7.069 1.682 0.146 0.561 0.900 0.600 CB 1.215 11 residues pruned to eliminate duplicates Z: 15 17.109 1.920 0.618 0.586 0.929 0.714 CB 1.459 15 residues pruned to eliminate duplicates Z: 7 11.218 2.031 0.105 0.831 1.000 0.833 CA 1.533 7 residues pruned to eliminate duplicates Z: 14 16.152 1.809 0.435 0.887 0.923 0.769 CB 1.349 15 residues pruned to eliminate duplicates Z: 13 8.067 1.576 0.038 0.895 1.000 0.917 CB 1.021 13 residues pruned to eliminate duplicates Z: 12 8.546 1.544 0.579 0.834 1.000 0.636 CB 0.792 12 residues pruned to eliminate duplicates Z: 10 13.720 1.852 0.762 0.729 1.000 0.667 CB 1.141 14 residues pruned to eliminate duplicates Z: 28 16.889 1.734 0.495 0.765 0.926 0.630 CB 1.071 28 residues pruned to eliminate duplicates Z: 45 29.918 2.023 0.652 0.597 0.909 0.614 CB 1.353 45 residues pruned to eliminate duplicates Z: 67 47.418 2.214 0.657 0.627 0.924 0.652 CB 1.528 67 residues pruned to eliminate duplicates Z: 11 5.259 1.638 0.175 0.525 0.900 0.400 CB 0.936 Z: 27 38.815 2.012 1.019 0.933 0.923 0.538 CB 1.416 27 residues pruned to eliminate duplicates Z: 7 5.943 1.478 0.081 0.773 1.000 0.667 CB 1.193 7 residues pruned to eliminate duplicates Z: 7 5.406 1.596 0.165 0.528 0.833 0.500 CB 1.386 Z: 23 25.630 2.004 0.739 0.815 0.818 0.409 CB 1.457 23 residues pruned to eliminate duplicates Z: 7 7.070 1.508 0.211 0.734 1.000 0.500 CA 1.281 7 residues pruned to eliminate duplicates 6 1.606 1.404 0.563 0.283 0.800 0.600 CB 0.523 ? Z: 10 10.936 1.922 0.672 0.774 0.889 0.444 CB 1.002 10 residues pruned to eliminate duplicates Z: 11 4.525 1.837 0.505 0.304 0.600 0.600 CB 1.073 7 1.844 1.405 0.725 0.178 0.833 0.333 CB 0.550 ? Z: 18 26.275 2.066 0.614 0.714 1.000 0.706 CA 1.573 18 residues pruned to eliminate duplicates Z: 63 51.193 2.311 0.883 0.482 0.919 0.516 CB 1.654 63 residues pruned to eliminate duplicates Z: 6 5.316 1.779 0.331 0.744 0.800 0.600 CB 1.009 Z: 16 5.906 1.513 0.588 0.357 0.667 0.533 CB 1.111 16 residues pruned to eliminate duplicates Z: 18 41.853 2.139 1.005 0.934 1.000 0.824 CB 1.651 18 residues pruned to eliminate duplicates Z: 64 30.397 1.959 0.695 0.528 0.921 0.651 CB 1.219 64 residues pruned to eliminate duplicates Z: 44 42.340 2.302 0.762 0.468 0.977 0.605 CB 1.683 44 residues pruned to eliminate duplicates Z: 12 16.133 1.942 0.277 0.938 1.000 1.000 CA 1.363 11 residues pruned to eliminate duplicates Z: 7 7.743 1.356 0.418 0.862 1.000 1.000 CB 1.207 7 residues pruned to eliminate duplicates Z: 18 31.823 2.164 0.697 0.901 0.941 0.882 CA 1.594 18 residues pruned to eliminate duplicates Z: 18 12.205 1.877 0.407 0.494 0.824 0.471 CB 1.369 18 residues pruned to eliminate duplicates Z: 37 19.296 1.865 0.461 0.585 0.861 0.611 CB 1.263 53 residues pruned to eliminate duplicates Z: 9 7.239 1.705 0.399 0.517 0.875 0.625 CB 1.205 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 5.759 1.525 1.045 0.350 0.833 0.333 CB 1.064 Z: 10 19.352 2.008 0.973 0.825 0.889 0.444 CB 1.382 10 residues pruned to eliminate duplicates Z: 8 16.049 1.974 0.777 0.870 1.000 0.571 CB 1.262 8 residues pruned to eliminate duplicates Z: 12 20.094 2.010 0.806 0.791 0.909 0.364 CB 1.422 12 residues pruned to eliminate duplicates Z: 64 41.431 2.221 0.726 0.478 0.905 0.556 CB 1.539 76 residues pruned to eliminate duplicates Z: 102 69.121 2.245 0.870 0.594 0.950 0.634 CB 1.577 102 residues pruned to eliminate duplicates Z: 63 41.228 2.236 0.677 0.494 0.919 0.532 CB 1.528 63 residues pruned to eliminate duplicates Z: 101 64.384 2.260 0.697 0.612 0.930 0.590 CB 1.623 101 residues pruned to eliminate duplicates Z: 13 19.481 2.021 0.840 0.734 0.917 0.417 CB 1.336 7 residues pruned to eliminate duplicates Z: 13 18.774 1.829 0.775 0.890 0.917 0.250 CA 1.310 13 residues pruned to eliminate duplicates Z: 18 10.436 1.689 0.354 0.485 0.941 0.647 CB 1.194 18 residues pruned to eliminate duplicates Z: 6 3.457 1.527 -0.072 0.483 1.000 0.600 N 1.111 6 residues pruned to eliminate duplicates Z: 15 9.952 1.809 0.338 0.484 0.857 0.714 CB 1.302 15 residues pruned to eliminate duplicates Z: 17 11.204 1.824 0.306 0.474 0.938 0.688 CB 1.287 17 residues pruned to eliminate duplicates Z: 17 12.058 1.831 0.463 0.432 1.000 0.750 CB 1.207 17 residues pruned to eliminate duplicates Z: 15 10.325 1.729 0.383 0.462 1.000 0.643 CB 1.200 15 residues pruned to eliminate duplicates Z: 13 10.392 1.774 0.383 0.486 0.917 0.583 CB 1.352 13 residues pruned to eliminate duplicates Z: 20 12.293 1.793 0.669 0.332 0.842 0.368 CB 1.346 20 residues pruned to eliminate duplicates Z: 23 18.702 2.058 0.424 0.438 0.909 0.591 CB 1.595 23 residues pruned to eliminate duplicates Z: 22 18.521 2.038 0.470 0.454 0.905 0.619 CB 1.562 22 residues pruned to eliminate duplicates Z: 10 15.055 2.207 0.593 0.483 0.778 0.444 CA 1.867 10 residues pruned to eliminate duplicates Z: 11 12.704 2.011 0.753 0.411 0.800 0.500 CA 1.563 11 residues pruned to eliminate duplicates Z: 17 18.224 2.146 0.501 0.494 0.875 0.562 CB 1.627 17 residues pruned to eliminate duplicates Z: 9 19.378 2.267 0.727 0.507 0.875 0.500 CB 1.986 9 residues pruned to eliminate duplicates Z: 24 17.769 1.942 0.628 0.425 0.826 0.522 CB 1.534 24 residues pruned to eliminate duplicates Z: 27 18.162 1.933 0.616 0.441 0.846 0.346 CB 1.432 27 residues pruned to eliminate duplicates Z: 25 23.052 1.992 0.774 0.545 0.875 0.542 CB 1.456 25 residues pruned to eliminate duplicates Z: 31 16.432 1.858 0.535 0.440 0.833 0.500 CB 1.343 31 residues pruned to eliminate duplicates Z: 21 20.197 2.043 0.679 0.435 0.900 0.550 CB 1.566 21 residues pruned to eliminate duplicates Z: 23 21.200 1.988 0.628 0.458 0.909 0.682 CB 1.603 23 residues pruned to eliminate duplicates Z: 24 20.823 2.025 0.685 0.401 0.870 0.435 CB 1.623 24 residues pruned to eliminate duplicates Z: 22 20.325 2.006 0.595 0.490 0.905 0.571 CB 1.547 22 residues pruned to eliminate duplicates Z: 19 12.217 1.666 0.622 0.409 0.889 0.611 CB 1.318 19 residues pruned to eliminate duplicates Z: 30 21.942 1.876 0.601 0.475 0.931 0.586 CB 1.494 30 residues pruned to eliminate duplicates Z: 29 21.055 1.902 0.657 0.488 0.893 0.536 CB 1.431 29 residues pruned to eliminate duplicates Z: 21 19.278 2.038 0.764 0.501 0.800 0.450 CB 1.498 21 residues pruned to eliminate duplicates Z: 25 22.043 2.013 0.623 0.486 0.917 0.458 CB 1.524 25 residues pruned to eliminate duplicates Z: 7 6.221 1.546 0.699 0.562 0.833 0.500 CA 1.092 7 residues pruned to eliminate duplicates Z: 34 16.446 1.789 0.654 0.446 0.758 0.455 CB 1.350 34 residues pruned to eliminate duplicates Z: 33 17.568 1.873 0.486 0.414 0.875 0.500 CB 1.396 33 residues pruned to eliminate duplicates Z: 29 24.708 1.970 0.676 0.532 0.929 0.643 CB 1.477 30 residues pruned to eliminate duplicates Z: 6 5.015 1.538 0.310 0.829 0.800 0.400 CB 1.047 6 residues pruned to eliminate duplicates Z: 26 22.594 1.941 0.676 0.586 0.880 0.560 CB 1.453 26 residues pruned to eliminate duplicates Z: 9 4.999 1.337 0.501 0.579 0.750 0.375 CB 1.089 9 residues pruned to eliminate duplicates Z: 8 5.416 1.480 0.287 0.660 0.857 0.286 CB 1.080 8 residues pruned to eliminate duplicates Z: 10 5.991 1.252 0.217 0.766 1.000 0.444 CB 1.035 8 residues pruned to eliminate duplicates Z: 6 6.804 1.395 0.507 0.804 1.000 0.600 CB 1.110 6 residues pruned to eliminate duplicates Z: 9 6.845 1.319 0.450 0.869 0.875 0.750 O 1.057 9 residues pruned to eliminate duplicates Z: 19 19.556 1.691 0.549 0.897 1.000 0.778 CB 1.260 19 residues pruned to eliminate duplicates Z: 18 14.174 1.702 0.342 0.808 0.882 0.647 CB 1.304 18 residues pruned to eliminate duplicates Z: 18 21.237 1.743 0.678 0.938 0.941 0.706 CB 1.301 18 residues pruned to eliminate duplicates Z: 21 16.761 1.676 0.395 0.876 1.000 0.850 CB 1.165 21 residues pruned to eliminate duplicates Z: 17 15.864 1.696 0.557 0.906 0.938 0.750 CB 1.139 17 residues pruned to eliminate duplicates Z: 23 18.228 1.640 0.606 0.835 0.955 0.636 CB 1.158 23 residues pruned to eliminate duplicates Z: 15 11.460 1.697 0.422 0.841 1.000 0.929 CB 0.946 15 residues pruned to eliminate duplicates Z: 16 16.558 1.720 0.465 0.887 1.000 0.800 CB 1.223 16 residues pruned to eliminate duplicates Z: 21 21.601 1.675 0.651 0.917 1.000 0.600 CB 1.232 21 residues pruned to eliminate duplicates Z: 14 17.336 1.717 0.787 0.915 1.000 0.692 CB 1.108 14 residues pruned to eliminate duplicates Z: 11 9.524 1.647 0.614 0.701 0.800 0.300 CB 1.180 11 residues pruned to eliminate duplicates Z: 22 15.119 1.693 0.680 0.794 0.810 0.286 CB 1.108 22 residues pruned to eliminate duplicates Z: 18 16.948 1.694 0.600 0.834 0.941 0.765 CB 1.208 18 residues pruned to eliminate duplicates Z: 18 19.479 1.713 0.699 0.841 0.941 0.765 CB 1.286 17 residues pruned to eliminate duplicates Z: 12 12.305 1.677 0.668 0.845 0.909 0.818 CB 1.085 12 residues pruned to eliminate duplicates Z: 21 22.510 1.685 0.879 0.894 1.000 0.550 CB 1.140 21 residues pruned to eliminate duplicates Z: 20 14.343 1.631 0.516 0.837 0.947 0.368 CB 1.051 20 residues pruned to eliminate duplicates Z: 18 17.655 1.673 0.700 0.841 1.000 0.765 CB 1.123 18 residues pruned to eliminate duplicates Z: 20 16.639 1.634 0.783 0.810 0.947 0.526 CB 1.055 20 residues pruned to eliminate duplicates Z: 19 16.802 1.639 0.694 0.783 1.000 0.611 CB 1.112 19 residues pruned to eliminate duplicates Z: 7 10.007 1.833 0.810 0.617 1.000 0.833 CB 1.102 6 residues pruned to eliminate duplicates Z: 12 12.110 1.788 0.147 0.899 1.000 0.727 CB 1.272 12 residues pruned to eliminate duplicates Z: 24 10.221 1.650 0.677 0.576 0.696 0.435 CB 1.029 11 residues pruned to eliminate duplicates Z: 10 10.647 1.828 0.324 0.850 0.889 0.778 CB 1.222 10 residues pruned to eliminate duplicates Z: 24 15.185 1.797 0.415 0.623 0.957 0.652 CB 1.159 24 residues pruned to eliminate duplicates Z: 14 10.092 1.653 0.489 0.667 0.923 0.615 CB 1.056 14 residues pruned to eliminate duplicates Z: 14 8.151 1.688 0.361 0.647 0.769 0.615 CB 1.115 14 residues pruned to eliminate duplicates Z: 22 9.612 1.718 0.223 0.585 0.905 0.667 CB 1.017 22 residues pruned to eliminate duplicates Z: 23 14.893 1.816 0.440 0.675 0.909 0.636 CB 1.137 23 residues pruned to eliminate duplicates Z: 23 15.544 1.844 0.431 0.678 0.909 0.545 CB 1.173 23 residues pruned to eliminate duplicates Z: 19 10.945 1.713 0.360 0.591 1.000 0.667 CB 1.015 19 residues pruned to eliminate duplicates Z: 24 13.847 1.799 0.523 0.655 0.870 0.522 CB 1.049 24 residues pruned to eliminate duplicates Z: 25 14.318 1.769 0.360 0.623 0.917 0.667 CB 1.180 25 residues pruned to eliminate duplicates Z: 20 9.519 1.744 0.148 0.566 0.895 0.684 CB 1.144 20 residues pruned to eliminate duplicates Z: 23 13.935 1.769 0.392 0.675 0.864 0.727 CB 1.189 23 residues pruned to eliminate duplicates Z: 23 16.027 1.820 0.400 0.680 0.955 0.636 CB 1.191 23 residues pruned to eliminate duplicates Z: 13 9.394 1.843 0.371 0.706 0.667 0.417 CB 1.335 13 residues pruned to eliminate duplicates Z: 11 15.730 1.971 0.624 0.863 0.900 0.400 CB 1.267 11 residues pruned to eliminate duplicates Z: 14 10.922 1.852 0.616 0.693 0.846 0.462 CB 1.002 14 residues pruned to eliminate duplicates Z: 14 11.779 1.836 0.676 0.677 0.846 0.538 CB 1.066 14 residues pruned to eliminate duplicates Z: 11 16.280 1.982 0.862 0.787 0.900 0.600 CB 1.204 11 residues pruned to eliminate duplicates Z: 33 24.913 2.080 0.603 0.625 0.875 0.406 CB 1.341 33 residues pruned to eliminate duplicates Z: 13 13.292 1.944 0.840 0.677 0.833 0.417 CB 1.094 13 residues pruned to eliminate duplicates Z: 18 12.670 1.826 0.552 0.589 0.882 0.529 CB 1.129 18 residues pruned to eliminate duplicates Z: 13 11.081 1.935 0.704 0.682 0.833 0.417 CB 0.985 13 residues pruned to eliminate duplicates Z: 81 47.824 2.198 0.735 0.519 0.900 0.575 CB 1.529 81 residues pruned to eliminate duplicates Z: 53 29.714 2.154 0.535 0.436 0.904 0.442 CB 1.474 53 residues pruned to eliminate duplicates Z: 95 54.740 2.181 0.664 0.594 0.915 0.628 CB 1.556 95 residues pruned to eliminate duplicates Z: 82 40.675 2.168 0.647 0.500 0.852 0.617 CB 1.486 82 residues pruned to eliminate duplicates Z: 85 49.874 2.214 0.635 0.540 0.929 0.655 CB 1.557 85 residues pruned to eliminate duplicates Z: 35 20.871 1.915 0.475 0.550 0.941 0.471 CB 1.282 35 residues pruned to eliminate duplicates Z: 80 45.985 2.232 0.587 0.526 0.911 0.582 CB 1.563 80 residues pruned to eliminate duplicates Z: 101 47.380 2.108 0.605 0.571 0.920 0.670 CB 1.421 101 residues pruned to eliminate duplicates Z: 63 32.246 2.189 0.521 0.421 0.871 0.516 CB 1.534 63 residues pruned to eliminate duplicates Z: 49 28.116 2.186 0.578 0.415 0.833 0.521 CB 1.543 49 residues pruned to eliminate duplicates Z: 40 25.318 2.195 0.423 0.484 0.872 0.513 CB 1.514 40 residues pruned to eliminate duplicates Z: 22 18.932 2.120 0.259 0.561 1.000 0.476 CB 1.459 22 residues pruned to eliminate duplicates Z: 81 53.027 2.248 0.722 0.573 0.925 0.688 CB 1.542 81 residues pruned to eliminate duplicates Z: 86 52.577 2.194 0.707 0.563 0.929 0.588 CB 1.541 86 residues pruned to eliminate duplicates Z: 24 22.918 2.093 0.475 0.625 0.957 0.565 CB 1.439 24 residues pruned to eliminate duplicates Z: 87 47.238 2.186 0.561 0.568 0.895 0.581 CB 1.561 87 residues pruned to eliminate duplicates Z: 23 19.380 2.150 0.375 0.582 0.864 0.545 CB 1.496 23 residues pruned to eliminate duplicates Z: 46 24.549 2.173 0.429 0.440 0.889 0.467 CB 1.410 46 residues pruned to eliminate duplicates Z: 95 52.093 2.173 0.684 0.580 0.872 0.681 CB 1.559 95 residues pruned to eliminate duplicates Z: 42 21.683 2.181 0.385 0.418 0.805 0.488 CB 1.518 42 residues pruned to eliminate duplicates Z: 81 51.689 2.236 0.682 0.559 0.913 0.637 CB 1.589 81 residues pruned to eliminate duplicates Z: 91 49.103 2.149 0.754 0.524 0.878 0.589 CB 1.528 91 residues pruned to eliminate duplicates Z: 77 46.101 2.226 0.661 0.534 0.895 0.539 CB 1.547 77 residues pruned to eliminate duplicates Z: 81 46.843 2.216 0.645 0.533 0.900 0.625 CB 1.545 81 residues pruned to eliminate duplicates Z: 28 21.870 2.241 0.615 0.336 0.889 0.370 CB 1.564 28 residues pruned to eliminate duplicates Z: 60 42.441 2.225 0.778 0.527 0.881 0.610 CB 1.543 60 residues pruned to eliminate duplicates Z: 92 46.145 2.152 0.648 0.537 0.879 0.637 CB 1.495 92 residues pruned to eliminate duplicates Z: 73 46.690 2.274 0.611 0.518 0.903 0.583 CB 1.634 73 residues pruned to eliminate duplicates Z: 37 25.295 2.226 0.699 0.354 0.861 0.500 CB 1.516 37 residues pruned to eliminate duplicates Z: 60 54.393 2.260 0.919 0.553 0.949 0.712 CB 1.634 60 residues pruned to eliminate duplicates Z: 49 27.598 2.155 0.587 0.405 0.854 0.521 CB 1.507 49 residues pruned to eliminate duplicates Z: 64 46.643 2.224 0.687 0.565 0.921 0.714 CB 1.598 64 residues pruned to eliminate duplicates Z: 92 48.378 2.190 0.617 0.565 0.890 0.560 CB 1.511 92 residues pruned to eliminate duplicates Z: 94 48.102 2.155 0.619 0.515 0.882 0.645 CB 1.597 94 residues pruned to eliminate duplicates Z: 83 49.462 2.222 0.542 0.565 0.915 0.598 CB 1.636 83 residues pruned to eliminate duplicates Z: 36 20.124 2.093 0.614 0.334 0.829 0.371 CB 1.458 36 residues pruned to eliminate duplicates Z: 60 51.047 2.287 0.803 0.563 0.915 0.661 CB 1.657 60 residues pruned to eliminate duplicates Z: 90 62.688 2.231 0.684 0.607 0.955 0.640 CB 1.673 90 residues pruned to eliminate duplicates Z: 89 55.558 2.207 0.734 0.548 0.920 0.614 CB 1.603 89 residues pruned to eliminate duplicates Z: 101 62.316 2.191 0.761 0.603 0.930 0.610 CB 1.575 101 residues pruned to eliminate duplicates Z: 43 27.923 2.167 0.533 0.446 0.905 0.429 CB 1.516 43 residues pruned to eliminate duplicates Z: 84 52.773 2.201 0.675 0.544 0.940 0.614 CB 1.602 84 residues pruned to eliminate duplicates Z: 31 24.479 2.125 0.692 0.397 0.933 0.400 CB 1.485 31 residues pruned to eliminate duplicates Z: 29 23.035 2.241 0.706 0.324 0.893 0.571 CB 1.548 29 residues pruned to eliminate duplicates Z: 49 58.083 2.207 0.935 0.750 1.000 0.771 CA 1.571 49 residues pruned to eliminate duplicates Z: 90 64.935 2.222 0.789 0.634 0.955 0.685 CB 1.599 91 residues pruned to eliminate duplicates Z: 8 8.929 1.796 0.841 0.628 0.857 0.714 N 1.055 8 residues pruned to eliminate duplicates Z: 83 55.907 2.234 0.708 0.568 0.951 0.683 CB 1.593 83 residues pruned to eliminate duplicates Z: 82 53.921 2.231 0.679 0.555 0.951 0.580 CB 1.595 82 residues pruned to eliminate duplicates Z: 30 32.999 2.216 0.754 0.632 0.897 0.724 CB 1.552 30 residues pruned to eliminate duplicates Z: 35 42.983 2.214 0.905 0.730 0.912 0.794 CA 1.558 35 residues pruned to eliminate duplicates Z: 27 40.094 2.320 0.777 0.692 0.923 0.769 CB 1.734 27 residues pruned to eliminate duplicates Z: 67 53.029 2.195 0.844 0.595 0.924 0.636 CA 1.593 67 residues pruned to eliminate duplicates Z: 36 44.564 2.209 0.835 0.733 0.943 0.629 CB 1.598 36 residues pruned to eliminate duplicates Z: 34 50.608 2.261 0.945 0.771 0.970 0.818 CA 1.626 34 residues pruned to eliminate duplicates Z: 34 49.630 2.268 0.942 0.744 0.909 0.727 CB 1.735 34 residues pruned to eliminate duplicates Z: 34 51.300 2.270 1.060 0.749 0.939 0.818 CB 1.628 34 residues pruned to eliminate duplicates Z: 29 39.858 2.269 0.865 0.675 0.964 0.679 CA 1.572 29 residues pruned to eliminate duplicates Z: 43 53.798 2.166 1.039 0.743 0.952 0.738 CB 1.587 43 residues pruned to eliminate duplicates Z: 32 49.211 2.310 0.855 0.755 0.935 0.677 CA 1.758 32 residues pruned to eliminate duplicates Z: 33 51.992 2.304 0.957 0.728 0.969 0.750 CB 1.713 33 residues pruned to eliminate duplicates Z: 43 55.054 2.157 1.057 0.718 0.976 0.690 CA 1.610 43 residues pruned to eliminate duplicates Z: 44 45.761 2.095 0.906 0.653 0.953 0.651 CA 1.590 44 residues pruned to eliminate duplicates Z: 38 47.898 2.227 1.183 0.653 0.919 0.622 CB 1.529 38 residues pruned to eliminate duplicates Z: 61 59.789 2.288 1.023 0.544 0.967 0.600 CB 1.652 61 residues pruned to eliminate duplicates Z: 34 50.818 2.263 1.103 0.743 0.939 0.636 CB 1.593 34 residues pruned to eliminate duplicates Z: 44 56.590 2.183 0.987 0.799 0.953 0.791 CB 1.606 44 residues pruned to eliminate duplicates Z: 41 60.469 2.238 1.180 0.751 0.950 0.675 CB 1.648 41 residues pruned to eliminate duplicates Z: 41 62.753 2.242 1.143 0.759 0.975 0.750 CB 1.683 44 residues pruned to eliminate duplicates Z: 30 41.216 2.003 0.912 0.922 0.966 0.690 CB 1.456 26 residues pruned to eliminate duplicates Z: 28 38.714 2.027 0.762 0.895 1.000 0.704 CB 1.495 28 residues pruned to eliminate duplicates Z: 28 41.569 2.081 0.804 0.946 0.963 0.741 CB 1.530 28 residues pruned to eliminate duplicates Z: 42 54.737 2.252 1.120 0.717 0.927 0.585 CB 1.588 42 residues pruned to eliminate duplicates Z: 40 56.910 2.231 1.142 0.768 0.923 0.564 CB 1.629 40 residues pruned to eliminate duplicates Z: 41 57.080 2.245 1.255 0.739 0.925 0.425 CB 1.556 41 residues pruned to eliminate duplicates Z: 44 64.833 2.200 1.199 0.804 0.977 0.558 CB 1.604 45 residues pruned to eliminate duplicates Z: 29 40.891 2.025 0.907 0.921 1.000 0.679 CB 1.407 29 residues pruned to eliminate duplicates Z: 40 62.432 2.200 1.231 0.788 0.974 0.667 CB 1.622 40 residues pruned to eliminate duplicates Z: 91 60.276 2.188 0.886 0.608 0.900 0.533 CB 1.543 91 residues pruned to eliminate duplicates Z: 41 60.853 2.216 1.268 0.767 0.975 0.650 CB 1.550 41 residues pruned to eliminate duplicates Z: 90 52.983 2.177 0.836 0.554 0.899 0.472 CB 1.483 90 residues pruned to eliminate duplicates Z: 40 69.282 2.238 1.359 0.799 1.000 0.462 CB 1.617 40 residues pruned to eliminate duplicates Z: 43 52.490 2.207 1.146 0.726 0.929 0.381 CB 1.502 43 residues pruned to eliminate duplicates Z: 44 65.314 2.192 1.215 0.822 0.977 0.535 CB 1.589 44 residues pruned to eliminate duplicates Z: 29 52.380 2.083 1.139 0.929 1.000 0.571 CB 1.555 29 residues pruned to eliminate duplicates Z: 69 55.342 2.204 0.947 0.599 0.941 0.441 CB 1.512 69 residues pruned to eliminate duplicates Z: 45 48.248 2.127 1.016 0.770 0.955 0.477 CB 1.399 45 residues pruned to eliminate duplicates Z: 33 41.772 2.043 1.037 0.824 0.875 0.375 CB 1.531 33 residues pruned to eliminate duplicates Z: 43 67.398 2.235 1.176 0.828 1.000 0.643 CB 1.610 43 residues pruned to eliminate duplicates Z: 11 9.160 1.678 0.010 0.815 1.000 0.800 CB 1.300 10 residues pruned to eliminate duplicates Z: 9 12.734 1.959 0.416 0.892 0.875 0.500 CB 1.333 9 residues pruned to eliminate duplicates Z: 13 14.578 1.795 0.591 0.788 0.917 0.750 CB 1.248 13 residues pruned to eliminate duplicates Z: 10 10.022 1.889 0.292 0.577 1.000 0.667 CB 1.271 10 residues pruned to eliminate duplicates Z: 10 11.553 1.873 0.450 0.591 1.000 0.778 CB 1.300 10 residues pruned to eliminate duplicates Z: 18 13.594 1.735 0.450 0.711 0.882 0.529 CB 1.227 18 residues pruned to eliminate duplicates Z: 17 14.587 1.753 0.345 0.734 1.000 0.500 CB 1.253 17 residues pruned to eliminate duplicates Z: 16 15.393 1.805 0.393 0.793 1.000 0.533 CB 1.223 16 residues pruned to eliminate duplicates Z: 15 17.839 1.826 0.478 0.914 1.000 0.643 CB 1.250 14 residues pruned to eliminate duplicates Z: 13 13.287 1.810 0.225 0.857 0.917 0.750 CB 1.390 13 residues pruned to eliminate duplicates Z: 14 12.361 1.827 0.426 0.733 0.846 0.462 CB 1.261 14 residues pruned to eliminate duplicates Z: 17 18.093 1.758 0.581 0.780 1.000 0.688 CB 1.270 17 residues pruned to eliminate duplicates Z: 15 15.490 1.792 0.532 0.891 0.857 0.643 CB 1.265 15 residues pruned to eliminate duplicates Z: 15 20.114 1.813 0.587 0.913 1.000 0.714 CB 1.322 15 residues pruned to eliminate duplicates Z: 45 35.053 1.982 0.707 0.691 0.932 0.659 CB 1.408 46 residues pruned to eliminate duplicates Z: 6 5.045 1.522 0.522 0.442 0.800 0.200 N 1.293 Z: 6 2.860 1.619 0.413 0.367 0.800 0.600 CB 0.806 6 residues pruned to eliminate duplicates Z: 41 35.368 2.028 0.562 0.717 0.975 0.700 CB 1.488 41 residues pruned to eliminate duplicates Z: 39 33.710 1.999 0.699 0.684 0.974 0.684 CB 1.397 39 residues pruned to eliminate duplicates Z: 10 16.376 1.964 0.423 0.873 1.000 0.778 CB 1.422 10 residues pruned to eliminate duplicates Z: 27 35.240 2.066 0.810 0.756 0.962 0.923 CB 1.530 27 residues pruned to eliminate duplicates Z: 32 36.278 2.041 0.765 0.762 0.968 0.710 CB 1.481 32 residues pruned to eliminate duplicates Z: 21 8.559 1.884 0.231 0.449 0.750 0.500 CB 1.160 21 residues pruned to eliminate duplicates Z: 32 39.113 2.082 0.760 0.780 0.935 0.613 CB 1.602 32 residues pruned to eliminate duplicates Z: 45 34.467 1.978 0.572 0.723 0.932 0.682 CB 1.466 45 residues pruned to eliminate duplicates Z: 35 33.254 2.049 0.598 0.767 0.912 0.647 CB 1.507 35 residues pruned to eliminate duplicates Z: 31 38.611 2.088 0.827 0.758 0.933 0.733 CB 1.574 31 residues pruned to eliminate duplicates Z: 36 38.107 2.052 0.589 0.796 0.971 0.714 CB 1.569 36 residues pruned to eliminate duplicates Z: 38 35.695 2.040 0.508 0.799 1.000 0.757 CB 1.469 38 residues pruned to eliminate duplicates Z: 47 35.191 1.963 0.601 0.684 0.957 0.717 CB 1.458 47 residues pruned to eliminate duplicates Z: 49 41.028 1.969 0.635 0.759 0.958 0.708 CB 1.524 50 residues pruned to eliminate duplicates Z: 29 35.582 2.006 0.534 0.908 0.929 0.750 CB 1.672 29 residues pruned to eliminate duplicates Z: 54 32.854 1.896 0.596 0.651 0.906 0.660 CB 1.430 54 residues pruned to eliminate duplicates Z: 36 38.074 2.037 0.665 0.801 0.914 0.743 CB 1.596 36 residues pruned to eliminate duplicates Z: 27 42.813 2.165 0.863 0.824 1.000 0.731 CB 1.572 27 residues pruned to eliminate duplicates Z: 31 35.764 2.089 0.812 0.773 0.867 0.667 CB 1.564 31 residues pruned to eliminate duplicates Z: 36 40.558 2.063 0.744 0.776 1.000 0.743 CB 1.494 36 residues pruned to eliminate duplicates Z: 44 39.014 2.034 0.671 0.737 1.000 0.674 CB 1.415 44 residues pruned to eliminate duplicates Z: 37 41.649 2.039 0.919 0.810 0.972 0.556 CB 1.393 37 residues pruned to eliminate duplicates Z: 37 43.056 2.062 0.851 0.791 1.000 0.722 CB 1.456 37 residues pruned to eliminate duplicates Z: 45 36.449 2.007 0.701 0.721 0.977 0.682 CB 1.349 45 residues pruned to eliminate duplicates Z: 32 32.296 2.060 0.731 0.726 0.935 0.516 CB 1.418 32 residues pruned to eliminate duplicates Z: 35 44.399 2.053 0.931 0.805 0.971 0.412 CB 1.517 35 residues pruned to eliminate duplicates Z: 37 32.261 1.993 0.826 0.774 0.889 0.389 CB 1.305 37 residues pruned to eliminate duplicates Z: 37 42.404 2.043 0.999 0.797 0.944 0.417 CB 1.413 37 residues pruned to eliminate duplicates Z: 37 42.451 2.046 0.920 0.792 1.000 0.528 CB 1.394 37 residues pruned to eliminate duplicates Z: 34 39.933 2.035 0.890 0.741 1.000 0.364 CB 1.457 34 residues pruned to eliminate duplicates Z: 46 37.036 1.986 0.714 0.726 0.956 0.556 CB 1.385 46 residues pruned to eliminate duplicates Z: 36 45.421 2.073 0.857 0.863 1.000 0.743 CB 1.463 36 residues pruned to eliminate duplicates Z: 43 41.806 1.994 0.945 0.791 0.905 0.429 CB 1.424 43 residues pruned to eliminate duplicates Z: 45 36.464 1.996 0.791 0.731 0.886 0.477 CB 1.410 45 residues pruned to eliminate duplicates Z: 40 34.517 1.995 0.839 0.766 0.872 0.359 CB 1.365 40 residues pruned to eliminate duplicates Z: 51 32.969 1.901 0.855 0.680 0.840 0.400 CB 1.334 51 residues pruned to eliminate duplicates Z: 40 34.595 1.997 0.738 0.788 0.872 0.462 CB 1.422 40 residues pruned to eliminate duplicates Z: 36 22.140 1.773 0.713 0.661 0.829 0.600 CB 1.281 36 residues pruned to eliminate duplicates Z: 60 37.627 1.918 0.704 0.710 0.915 0.525 CB 1.354 60 residues pruned to eliminate duplicates Z: 55 35.931 1.930 0.653 0.724 0.907 0.500 CB 1.379 55 residues pruned to eliminate duplicates Z: 55 36.051 1.903 0.749 0.749 0.926 0.333 CB 1.274 55 residues pruned to eliminate duplicates Z: 16 9.977 1.682 0.231 0.689 0.867 0.600 CB 1.207 16 residues pruned to eliminate duplicates Z: 15 12.056 1.729 0.419 0.694 0.929 0.714 CB 1.185 15 residues pruned to eliminate duplicates Z: 12 15.781 1.817 0.434 0.780 1.000 0.727 CB 1.427 12 residues pruned to eliminate duplicates Z: 13 12.588 1.701 0.348 0.811 0.917 0.750 CB 1.319 13 residues pruned to eliminate duplicates Z: 11 14.853 1.832 0.550 0.820 0.900 0.700 CB 1.392 11 residues pruned to eliminate duplicates Z: 12 16.524 1.799 0.531 0.862 0.909 0.636 CB 1.461 12 residues pruned to eliminate duplicates Z: 15 13.657 1.730 0.457 0.712 0.929 0.571 CB 1.287 15 residues pruned to eliminate duplicates Z: 11 12.970 1.680 0.581 0.801 0.900 0.700 N 1.319 11 residues pruned to eliminate duplicates Z: 11 15.609 1.754 0.646 0.794 1.000 0.600 N 1.322 11 residues pruned to eliminate duplicates Z: 11 14.900 1.837 0.355 0.785 1.000 0.800 CB 1.473 11 residues pruned to eliminate duplicates Z: 59 38.055 1.929 0.769 0.720 0.879 0.552 CB 1.365 59 residues pruned to eliminate duplicates Z: 12 15.990 1.832 0.429 0.844 1.000 0.818 CB 1.370 12 residues pruned to eliminate duplicates Z: 10 4.747 1.528 0.165 0.515 0.889 0.444 CB 0.985 10 residues pruned to eliminate duplicates Z: 10 5.464 1.568 0.377 0.532 0.778 0.222 CB 1.051 10 residues pruned to eliminate duplicates Z: 9 6.603 1.606 0.495 0.630 0.875 0.500 CB 0.983 9 residues pruned to eliminate duplicates Z: 7 3.252 1.474 0.378 0.525 0.667 0.500 CB 0.956 7 residues pruned to eliminate duplicates Z: 9 5.952 1.627 0.292 0.640 1.000 0.375 CB 0.878 9 residues pruned to eliminate duplicates Z: 10 6.359 1.559 0.446 0.651 0.778 0.556 CB 1.050 10 residues pruned to eliminate duplicates Z: 16 8.685 1.726 0.433 0.382 0.867 0.400 CB 1.187 16 residues pruned to eliminate duplicates Z: 16 8.418 1.788 0.212 0.392 0.867 0.600 CB 1.297 16 residues pruned to eliminate duplicates Z: 17 9.458 1.788 0.325 0.426 0.812 0.500 CB 1.326 17 residues pruned to eliminate duplicates Z: 7 4.700 1.598 0.346 0.275 0.833 0.333 O 1.382 7 residues pruned to eliminate duplicates Z: 15 9.536 1.751 0.566 0.436 0.857 0.429 CB 1.159 15 residues pruned to eliminate duplicates Z: 13 7.030 1.842 0.286 0.444 0.750 0.583 CB 1.210 13 residues pruned to eliminate duplicates Z: 16 9.404 1.806 0.415 0.427 0.867 0.333 CB 1.182 16 residues pruned to eliminate duplicates Z: 8 6.863 1.939 0.369 0.432 1.000 0.571 CB 1.048 8 residues pruned to eliminate duplicates Z: 9 6.628 1.838 0.242 0.464 0.750 0.750 N 1.420 9 residues pruned to eliminate duplicates Z: 18 7.246 1.764 0.065 0.404 0.882 0.412 CB 1.172 18 residues pruned to eliminate duplicates Z: 52 18.841 1.811 0.353 0.517 0.843 0.588 CB 1.256 52 residues pruned to eliminate duplicates Z: 39 21.528 1.940 0.524 0.505 0.868 0.526 CB 1.353 39 residues pruned to eliminate duplicates Z: 37 22.689 1.948 0.474 0.536 0.889 0.583 CB 1.430 37 residues pruned to eliminate duplicates Z: 16 7.874 1.854 0.266 0.392 0.733 0.333 CB 1.324 16 residues pruned to eliminate duplicates Z: 43 22.397 1.952 0.397 0.508 0.905 0.548 CB 1.389 43 residues pruned to eliminate duplicates Z: 31 21.545 2.025 0.483 0.525 0.933 0.533 CB 1.369 31 residues pruned to eliminate duplicates Z: 43 26.974 1.985 0.565 0.534 0.952 0.690 CB 1.360 43 residues pruned to eliminate duplicates Z: 30 21.441 2.054 0.382 0.599 0.931 0.621 CB 1.371 30 residues pruned to eliminate duplicates Z: 28 23.928 2.030 0.605 0.594 0.926 0.630 CB 1.396 28 residues pruned to eliminate duplicates Z: 40 22.252 1.946 0.460 0.500 0.872 0.590 CB 1.438 40 residues pruned to eliminate duplicates Z: 46 20.165 1.926 0.331 0.518 0.889 0.667 CB 1.297 46 residues pruned to eliminate duplicates Z: 20 25.159 2.077 0.464 0.707 0.947 0.789 CB 1.661 20 residues pruned to eliminate duplicates Z: 29 25.807 2.055 0.463 0.605 1.000 0.643 CB 1.468 29 residues pruned to eliminate duplicates Z: 26 26.272 2.097 0.562 0.602 1.000 0.720 CB 1.457 26 residues pruned to eliminate duplicates Z: 31 22.718 2.019 0.487 0.552 0.867 0.567 CB 1.514 31 residues pruned to eliminate duplicates Z: 46 25.175 1.940 0.600 0.536 0.867 0.533 CB 1.347 46 residues pruned to eliminate duplicates Z: 32 21.491 1.974 0.438 0.562 0.935 0.645 CB 1.369 32 residues pruned to eliminate duplicates Z: 25 21.334 2.018 0.528 0.597 0.875 0.667 CB 1.472 25 residues pruned to eliminate duplicates Z: 28 25.114 2.040 0.534 0.599 0.963 0.519 CB 1.459 28 residues pruned to eliminate duplicates Z: 28 29.655 2.078 0.694 0.647 0.926 0.667 CB 1.527 28 residues pruned to eliminate duplicates Z: 21 25.972 2.084 0.618 0.684 0.950 0.550 CB 1.531 21 residues pruned to eliminate duplicates Z: 28 27.214 2.075 0.595 0.651 0.963 0.704 CB 1.427 28 residues pruned to eliminate duplicates Z: 44 26.914 1.969 0.521 0.564 0.977 0.558 CB 1.319 65 residues pruned to eliminate duplicates Z: 17 23.643 1.939 0.702 0.723 1.000 0.750 CB 1.463 17 residues pruned to eliminate duplicates Z: 42 25.065 1.972 0.562 0.561 0.878 0.610 CB 1.364 42 residues pruned to eliminate duplicates Z: 33 26.732 2.004 0.672 0.575 0.906 0.594 CB 1.448 33 residues pruned to eliminate duplicates Z: 27 26.650 2.063 0.650 0.648 0.962 0.654 CB 1.391 27 residues pruned to eliminate duplicates Z: 29 24.527 2.055 0.645 0.611 0.929 0.571 CB 1.329 29 residues pruned to eliminate duplicates Z: 31 25.320 2.028 0.475 0.621 0.967 0.667 CB 1.425 31 residues pruned to eliminate duplicates Z: 30 25.392 2.027 0.607 0.626 0.931 0.517 CB 1.381 30 residues pruned to eliminate duplicates Z: 44 22.659 1.970 0.427 0.545 0.930 0.535 CB 1.265 44 residues pruned to eliminate duplicates Z: 71 40.060 2.053 0.581 0.641 0.929 0.600 CB 1.392 71 residues pruned to eliminate duplicates Z: 30 24.660 2.034 0.610 0.577 0.931 0.517 CB 1.394 30 residues pruned to eliminate duplicates Z: 60 40.530 2.008 0.591 0.660 0.949 0.661 CB 1.501 60 residues pruned to eliminate duplicates Z: 83 40.668 2.025 0.517 0.618 0.915 0.585 CB 1.430 83 residues pruned to eliminate duplicates Z: 60 36.382 2.046 0.460 0.650 0.932 0.627 CB 1.478 60 residues pruned to eliminate duplicates Z: 87 46.557 2.049 0.488 0.675 0.953 0.663 CB 1.471 88 residues pruned to eliminate duplicates Z: 26 29.462 2.093 0.360 0.845 1.000 0.720 CA 1.540 26 residues pruned to eliminate duplicates Z: 80 40.008 2.033 0.476 0.667 0.937 0.658 CB 1.373 80 residues pruned to eliminate duplicates Z: 63 45.563 2.096 0.632 0.690 0.952 0.726 CB 1.495 74 residues pruned to eliminate duplicates Z: 24 30.141 2.040 0.533 0.885 0.913 0.739 CB 1.589 24 residues pruned to eliminate duplicates Z: 56 39.231 2.083 0.619 0.726 0.873 0.727 CB 1.466 56 residues pruned to eliminate duplicates Z: 38 36.369 2.072 0.563 0.760 0.973 0.703 CB 1.506 38 residues pruned to eliminate duplicates Z: 38 36.095 2.101 0.625 0.749 0.946 0.703 CB 1.471 38 residues pruned to eliminate duplicates Z: 40 38.084 2.076 0.757 0.724 0.923 0.615 CB 1.479 40 residues pruned to eliminate duplicates Z: 52 42.716 2.080 0.543 0.725 0.961 0.686 CB 1.583 52 residues pruned to eliminate duplicates Z: 63 36.381 2.006 0.586 0.634 0.887 0.532 CB 1.444 63 residues pruned to eliminate duplicates Z: 56 43.206 2.083 0.634 0.737 0.945 0.636 CB 1.463 56 residues pruned to eliminate duplicates Z: 89 49.732 2.058 0.613 0.650 0.955 0.591 CB 1.455 89 residues pruned to eliminate duplicates Z: 43 33.290 2.006 0.771 0.656 0.881 0.595 CB 1.421 43 residues pruned to eliminate duplicates Z: 44 30.518 2.031 0.541 0.631 0.930 0.721 CB 1.413 44 residues pruned to eliminate duplicates Z: 89 46.918 2.023 0.633 0.668 0.920 0.727 CB 1.409 89 residues pruned to eliminate duplicates Z: 69 42.515 2.038 0.749 0.671 0.897 0.471 CB 1.378 69 residues pruned to eliminate duplicates Z: 81 42.454 2.025 0.650 0.635 0.938 0.512 CB 1.335 81 residues pruned to eliminate duplicates Z: 35 35.689 2.061 0.700 0.769 0.971 0.706 CB 1.418 35 residues pruned to eliminate duplicates Z: 37 36.936 2.097 0.747 0.762 0.889 0.528 CB 1.498 37 residues pruned to eliminate duplicates Z: 74 38.427 2.015 0.630 0.645 0.836 0.493 CB 1.432 74 residues pruned to eliminate duplicates Z: 52 32.361 2.021 0.648 0.611 0.902 0.549 CB 1.358 52 residues pruned to eliminate duplicates Z: 39 37.256 2.089 0.720 0.744 0.921 0.605 CB 1.467 39 residues pruned to eliminate duplicates Z: 34 30.799 2.077 0.633 0.725 0.848 0.667 CB 1.520 34 residues pruned to eliminate duplicates Z: 34 31.114 2.024 0.493 0.782 0.970 0.697 CB 1.442 34 residues pruned to eliminate duplicates Z: 70 44.696 2.064 0.551 0.690 0.957 0.667 CB 1.477 70 residues pruned to eliminate duplicates Z: 53 37.347 2.038 0.640 0.698 0.904 0.596 CB 1.432 53 residues pruned to eliminate duplicates Z: 35 32.052 2.045 0.627 0.729 0.941 0.588 CB 1.429 35 residues pruned to eliminate duplicates Z: 56 50.029 2.100 0.728 0.747 0.964 0.655 CB 1.548 56 residues pruned to eliminate duplicates Z: 38 37.139 2.060 0.868 0.750 0.919 0.595 CB 1.381 38 residues pruned to eliminate duplicates Z: 88 43.276 2.019 0.555 0.691 0.897 0.540 CB 1.384 88 residues pruned to eliminate duplicates Z: 37 36.652 2.067 0.790 0.741 0.944 0.556 CB 1.409 37 residues pruned to eliminate duplicates Z: 73 37.368 2.005 0.617 0.638 0.875 0.583 CB 1.364 73 residues pruned to eliminate duplicates Z: 37 28.835 2.127 0.636 0.614 0.889 0.722 CB 1.394 37 residues pruned to eliminate duplicates Z: 18 20.086 1.992 0.338 0.722 0.941 0.824 CA 1.589 18 residues pruned to eliminate duplicates Z: 25 22.326 2.068 0.581 0.595 0.917 0.667 CB 1.388 25 residues pruned to eliminate duplicates Z: 8 7.628 1.998 0.008 0.587 1.000 0.714 CB 1.317 8 residues pruned to eliminate duplicates Z: 49 34.420 2.048 0.710 0.686 0.896 0.521 CB 1.335 49 residues pruned to eliminate duplicates Z: 26 21.623 2.054 0.513 0.608 0.920 0.800 CB 1.365 26 residues pruned to eliminate duplicates Z: 25 27.353 2.119 0.685 0.634 0.958 0.708 CB 1.439 25 residues pruned to eliminate duplicates Z: 18 24.588 2.118 0.584 0.755 0.941 0.765 CB 1.504 18 residues pruned to eliminate duplicates Z: 25 27.971 2.115 0.809 0.636 0.958 0.708 CB 1.371 25 residues pruned to eliminate duplicates Z: 24 29.714 2.135 0.828 0.666 0.913 0.783 CB 1.491 24 residues pruned to eliminate duplicates Z: 12 22.068 1.983 0.973 0.871 0.909 0.818 CA 1.364 12 residues pruned to eliminate duplicates Z: 25 26.304 2.116 0.566 0.617 0.917 0.708 CA 1.582 25 residues pruned to eliminate duplicates Z: 26 26.834 2.090 0.689 0.601 0.920 0.720 CB 1.502 26 residues pruned to eliminate duplicates Z: 25 22.748 2.050 0.538 0.599 0.917 0.708 CB 1.462 25 residues pruned to eliminate duplicates Z: 9 8.260 1.963 0.534 0.408 1.000 0.750 CB 1.068 9 residues pruned to eliminate duplicates Z: 33 26.200 2.004 0.587 0.570 0.938 0.719 CB 1.452 33 residues pruned to eliminate duplicates Z: 22 22.729 2.062 0.756 0.565 0.905 0.381 CB 1.423 22 residues pruned to eliminate duplicates Z: 7 10.549 2.051 0.962 0.456 1.000 0.500 CB 1.120 7 residues pruned to eliminate duplicates Z: 9 9.816 1.897 0.598 0.309 1.000 0.500 CB 1.415 9 residues pruned to eliminate duplicates Z: 8 8.134 1.934 0.721 0.420 1.000 0.571 CB 1.003 8 residues pruned to eliminate duplicates Z: 12 8.626 1.698 0.709 0.341 0.909 0.273 CB 1.172 12 residues pruned to eliminate duplicates Z: 29 22.843 1.998 0.451 0.623 0.929 0.679 CB 1.429 27 residues pruned to eliminate duplicates Z: 18 24.618 1.999 0.565 0.766 1.000 0.588 CB 1.508 18 residues pruned to eliminate duplicates Z: 29 26.893 1.957 0.528 0.670 0.964 0.643 CA 1.506 29 residues pruned to eliminate duplicates Z: 28 24.032 1.995 0.447 0.646 0.963 0.704 CB 1.452 28 residues pruned to eliminate duplicates Z: 28 23.004 1.987 0.462 0.613 0.926 0.667 CB 1.478 28 residues pruned to eliminate duplicates Z: 11 12.453 1.941 0.397 0.519 1.000 0.500 CA 1.425 11 residues pruned to eliminate duplicates Z: 48 27.369 1.922 0.522 0.600 0.894 0.489 CB 1.388 48 residues pruned to eliminate duplicates Z: 28 23.144 1.953 0.515 0.579 0.926 0.556 CB 1.506 28 residues pruned to eliminate duplicates Z: 29 22.953 1.986 0.487 0.623 0.893 0.750 CB 1.464 29 residues pruned to eliminate duplicates Z: 32 17.918 1.903 0.378 0.489 0.871 0.516 CB 1.424 32 residues pruned to eliminate duplicates Z: 29 26.468 1.975 0.606 0.652 0.893 0.750 CB 1.533 29 residues pruned to eliminate duplicates Z: 30 23.272 1.922 0.599 0.586 0.931 0.759 CB 1.391 32 residues pruned to eliminate duplicates Z: 17 21.082 2.036 0.374 0.844 0.938 0.750 CA 1.495 17 residues pruned to eliminate duplicates Z: 28 22.003 1.979 0.455 0.602 0.926 0.630 CB 1.441 28 residues pruned to eliminate duplicates Z: 55 28.661 1.893 0.573 0.606 0.889 0.630 CB 1.332 48 residues pruned to eliminate duplicates Z: 17 23.153 2.027 0.485 0.874 0.938 0.938 CA 1.493 17 residues pruned to eliminate duplicates Z: 40 30.187 1.956 0.529 0.646 0.974 0.615 CA 1.448 46 residues pruned to eliminate duplicates Z: 20 24.778 2.066 0.562 0.779 0.947 0.947 CB 1.454 20 residues pruned to eliminate duplicates Z: 28 26.508 2.018 0.571 0.647 0.963 0.630 CB 1.457 28 residues pruned to eliminate duplicates Z: 28 22.970 1.973 0.427 0.670 0.926 0.741 CB 1.449 28 residues pruned to eliminate duplicates Z: 27 25.135 2.001 0.551 0.680 0.923 0.692 CB 1.457 27 residues pruned to eliminate duplicates Z: 28 22.258 1.912 0.682 0.600 0.852 0.630 CB 1.421 28 residues pruned to eliminate duplicates Z: 28 23.883 1.990 0.508 0.640 0.889 0.667 CB 1.511 28 residues pruned to eliminate duplicates Z: 28 26.645 1.994 0.627 0.649 0.926 0.778 CB 1.485 28 residues pruned to eliminate duplicates Z: 48 24.330 1.897 0.564 0.596 0.830 0.574 CB 1.315 48 residues pruned to eliminate duplicates Z: 29 27.736 1.993 0.603 0.653 0.929 0.750 CB 1.533 29 residues pruned to eliminate duplicates Z: 6 3.282 1.302 0.326 0.306 1.000 0.400 N 1.054 6 residues pruned to eliminate duplicates Z: 53 26.842 1.862 0.582 0.571 0.904 0.654 CB 1.305 54 residues pruned to eliminate duplicates Z: 11 13.560 1.926 0.491 0.827 0.900 0.500 CA 1.251 11 residues pruned to eliminate duplicates Z: 45 29.082 1.969 0.550 0.576 0.909 0.545 CB 1.469 44 residues pruned to eliminate duplicates Z: 11 15.539 1.948 0.518 0.857 1.000 0.800 CA 1.224 11 residues pruned to eliminate duplicates Z: 21 14.024 1.898 0.455 0.552 0.800 0.500 CB 1.348 21 residues pruned to eliminate duplicates Z: 17 15.473 1.995 0.479 0.508 0.938 0.438 CB 1.387 17 residues pruned to eliminate duplicates Z: 20 17.375 1.881 0.563 0.519 0.895 0.263 CA 1.488 20 residues pruned to eliminate duplicates Z: 20 18.048 1.910 0.644 0.621 0.842 0.579 CB 1.396 20 residues pruned to eliminate duplicates Z: 21 15.060 1.896 0.528 0.567 0.800 0.600 CB 1.362 21 residues pruned to eliminate duplicates Z: 20 19.935 1.959 0.699 0.591 0.842 0.526 CA 1.496 20 residues pruned to eliminate duplicates Z: 21 19.920 1.912 0.692 0.615 0.850 0.650 CA 1.453 21 residues pruned to eliminate duplicates Z: 21 17.561 1.954 0.583 0.563 0.850 0.700 CA 1.405 21 residues pruned to eliminate duplicates Z: 23 14.588 1.893 0.503 0.530 0.773 0.500 CB 1.373 23 residues pruned to eliminate duplicates Z: 31 20.435 1.846 0.675 0.588 0.833 0.567 CB 1.330 31 residues pruned to eliminate duplicates Z: 7 7.855 1.645 0.994 0.402 0.833 0.500 O 1.300 7 residues pruned to eliminate duplicates Z: 8 7.520 1.799 0.451 0.391 0.857 0.286 CB 1.426 8 residues pruned to eliminate duplicates Z: 27 19.718 1.803 0.699 0.604 0.885 0.385 CB 1.293 27 residues pruned to eliminate duplicates Z: 7 2.666 1.263 0.778 0.405 0.833 0.833 CA 0.642 7 residues pruned to eliminate duplicates Z: 6 6.599 1.729 0.323 0.715 1.000 0.800 CA 1.062 6 residues pruned to eliminate duplicates Z: 6 8.820 1.706 0.583 0.703 1.000 0.600 CA 1.214 6 residues pruned to eliminate duplicates Z: 32 29.151 2.108 0.853 0.517 0.903 0.548 CB 1.458 32 residues pruned to eliminate duplicates Z: 13 26.444 2.371 0.856 0.565 1.000 0.583 CB 1.629 13 residues pruned to eliminate duplicates Z: 13 23.624 2.362 0.673 0.547 1.000 0.500 CA 1.649 13 residues pruned to eliminate duplicates Z: 22 24.915 2.249 0.885 0.511 0.905 0.619 CB 1.402 22 residues pruned to eliminate duplicates Z: 15 17.388 2.181 0.767 0.476 0.929 0.357 CB 1.330 15 residues pruned to eliminate duplicates Z: 30 21.401 2.023 0.804 0.491 0.862 0.621 CB 1.274 30 residues pruned to eliminate duplicates Z: 32 22.065 2.084 0.765 0.501 0.839 0.484 CB 1.284 32 residues pruned to eliminate duplicates Z: 17 13.934 2.105 0.685 0.457 0.812 0.312 CB 1.263 17 residues pruned to eliminate duplicates Z: 34 28.825 2.104 0.799 0.465 0.909 0.576 CB 1.511 34 residues pruned to eliminate duplicates Z: 37 31.114 2.134 0.804 0.479 0.944 0.417 CB 1.456 47 residues pruned to eliminate duplicates Z: 8 23.568 2.315 0.906 0.756 1.000 0.429 CB 1.607 8 residues pruned to eliminate duplicates Z: 34 29.915 2.152 0.710 0.502 0.939 0.545 CB 1.504 34 residues pruned to eliminate duplicates Z: 28 25.335 2.132 0.596 0.497 0.926 0.556 CB 1.552 28 residues pruned to eliminate duplicates Z: 29 26.161 2.117 0.694 0.503 0.964 0.500 CB 1.425 29 residues pruned to eliminate duplicates Z: 10 14.798 2.129 0.607 0.506 0.889 0.667 CA 1.613 10 residues pruned to eliminate duplicates Z: 19 18.591 1.920 0.788 0.485 0.944 0.778 CB 1.373 19 residues pruned to eliminate duplicates Z: 25 22.676 2.105 0.643 0.438 0.917 0.542 CB 1.557 25 residues pruned to eliminate duplicates Z: 27 24.670 2.112 0.920 0.519 0.923 0.538 CB 1.268 27 residues pruned to eliminate duplicates Z: 17 14.904 2.005 0.750 0.441 0.875 0.438 CB 1.291 17 residues pruned to eliminate duplicates Z: 24 17.979 2.058 0.653 0.392 0.870 0.478 CB 1.421 24 residues pruned to eliminate duplicates Z: 25 17.313 2.058 0.621 0.393 0.917 0.542 CB 1.295 25 residues pruned to eliminate duplicates Z: 30 29.507 2.032 0.923 0.560 0.931 0.586 CB 1.421 30 residues pruned to eliminate duplicates Z: 25 24.393 1.994 0.784 0.454 0.958 0.333 CB 1.532 25 residues pruned to eliminate duplicates Z: 51 28.394 2.069 0.683 0.490 0.900 0.480 CB 1.294 51 residues pruned to eliminate duplicates Z: 34 22.928 2.020 0.799 0.429 0.879 0.515 CB 1.345 34 residues pruned to eliminate duplicates Z: 12 16.755 2.036 0.687 0.545 0.909 0.455 N 1.548 12 residues pruned to eliminate duplicates Z: 17 12.383 1.907 0.606 0.447 0.750 0.375 CB 1.423 17 residues pruned to eliminate duplicates Z: 25 19.338 1.996 0.666 0.441 0.833 0.500 CB 1.514 25 residues pruned to eliminate duplicates Z: 12 16.177 2.052 0.549 0.537 0.909 0.455 CB 1.627 12 residues pruned to eliminate duplicates Z: 35 26.598 2.090 0.773 0.470 0.824 0.529 CB 1.541 25 residues pruned to eliminate duplicates Z: 8 21.753 2.149 1.029 0.808 0.857 0.571 CB 1.682 8 residues pruned to eliminate duplicates Z: 12 13.192 1.988 0.616 0.540 0.727 0.364 CB 1.637 12 residues pruned to eliminate duplicates Z: 12 12.888 2.036 0.517 0.531 0.909 0.273 CB 1.341 12 residues pruned to eliminate duplicates Z: 30 17.609 2.001 0.627 0.470 0.862 0.621 CB 1.201 30 residues pruned to eliminate duplicates Z: 33 21.422 2.052 0.819 0.467 0.844 0.531 CB 1.243 33 residues pruned to eliminate duplicates Z: 30 19.771 1.974 0.510 0.542 0.897 0.621 CB 1.318 30 residues pruned to eliminate duplicates Z: 42 29.260 2.128 0.821 0.497 0.902 0.585 CB 1.311 42 residues pruned to eliminate duplicates Z: 71 28.422 2.003 0.462 0.526 0.886 0.643 CB 1.277 71 residues pruned to eliminate duplicates Z: 7 8.310 2.104 0.225 0.543 1.000 0.833 CB 1.261 7 residues pruned to eliminate duplicates Z: 29 16.934 2.020 0.492 0.474 0.929 0.536 CB 1.174 29 residues pruned to eliminate duplicates Z: 50 27.202 2.057 0.737 0.444 0.878 0.531 CB 1.313 50 residues pruned to eliminate duplicates Z: 17 11.752 1.984 0.370 0.551 1.000 0.625 CB 1.028 17 residues pruned to eliminate duplicates Z: 16 10.409 1.966 0.474 0.518 0.933 0.533 CB 0.975 16 residues pruned to eliminate duplicates Z: 39 14.412 1.892 0.627 0.337 0.895 0.579 CB 1.014 39 residues pruned to eliminate duplicates Z: 25 18.120 2.043 0.625 0.536 0.875 0.583 CB 1.229 25 residues pruned to eliminate duplicates Z: 8 6.447 1.965 0.202 0.551 0.857 0.571 CB 1.146 8 residues pruned to eliminate duplicates Z: 28 17.058 2.080 0.477 0.478 0.889 0.630 CB 1.229 28 residues pruned to eliminate duplicates Z: 26 11.315 1.925 0.470 0.398 0.760 0.480 CB 1.172 26 residues pruned to eliminate duplicates Z: 32 13.992 1.922 0.434 0.443 0.871 0.548 CB 1.111 32 residues pruned to eliminate duplicates Z: 8 6.943 1.973 0.377 0.420 1.000 0.571 CB 1.050 8 residues pruned to eliminate duplicates Z: 62 31.372 2.015 0.543 0.489 0.951 0.541 CB 1.373 62 residues pruned to eliminate duplicates Z: 18 8.855 1.814 0.426 0.345 0.824 0.471 CB 1.193 18 residues pruned to eliminate duplicates Z: 14 9.731 1.953 0.193 0.401 0.923 0.538 CB 1.394 14 residues pruned to eliminate duplicates Z: 52 27.957 2.020 0.486 0.525 0.902 0.627 CB 1.410 52 residues pruned to eliminate duplicates Z: 31 22.138 1.854 0.782 0.460 0.900 0.533 CB 1.416 31 residues pruned to eliminate duplicates Z: 55 33.321 2.026 0.626 0.520 0.963 0.537 CB 1.401 55 residues pruned to eliminate duplicates Z: 53 31.458 2.048 0.618 0.518 0.942 0.538 CB 1.373 53 residues pruned to eliminate duplicates Z: 53 32.995 2.030 0.617 0.536 0.942 0.577 CB 1.428 53 residues pruned to eliminate duplicates Z: 53 31.541 2.059 0.593 0.517 0.923 0.577 CB 1.420 53 residues pruned to eliminate duplicates Z: 49 28.813 2.009 0.529 0.532 0.958 0.667 CB 1.369 49 residues pruned to eliminate duplicates Z: 42 24.651 2.029 0.433 0.586 0.902 0.707 CB 1.351 42 residues pruned to eliminate duplicates Z: 14 12.027 1.962 0.351 0.504 0.846 0.769 CB 1.481 14 residues pruned to eliminate duplicates Z: 56 29.236 1.996 0.588 0.512 0.909 0.582 CB 1.352 56 residues pruned to eliminate duplicates Z: 42 29.987 2.064 0.585 0.607 0.927 0.683 CB 1.395 42 residues pruned to eliminate duplicates Z: 53 32.793 2.048 0.557 0.536 0.981 0.615 CB 1.404 53 residues pruned to eliminate duplicates Z: 66 29.869 2.011 0.496 0.474 0.938 0.600 CB 1.348 66 residues pruned to eliminate duplicates Z: 42 26.220 2.036 0.546 0.571 0.976 0.561 CB 1.244 42 residues pruned to eliminate duplicates Z: 54 32.842 2.054 0.533 0.543 0.943 0.679 CB 1.456 54 residues pruned to eliminate duplicates Z: 52 30.367 2.032 0.697 0.500 0.922 0.529 CB 1.339 52 residues pruned to eliminate duplicates Z: 45 26.648 2.044 0.522 0.501 0.932 0.545 CB 1.384 45 residues pruned to eliminate duplicates Z: 53 30.913 2.018 0.635 0.539 0.923 0.558 CB 1.355 53 residues pruned to eliminate duplicates Z: 48 28.045 2.018 0.609 0.499 0.915 0.638 CB 1.379 48 residues pruned to eliminate duplicates Z: 56 31.469 2.034 0.587 0.542 0.927 0.618 CB 1.360 56 residues pruned to eliminate duplicates Z: 45 30.408 2.067 0.569 0.493 1.000 0.455 CB 1.424 45 residues pruned to eliminate duplicates Z: 47 33.137 2.044 0.551 0.569 1.000 0.696 CB 1.442 47 residues pruned to eliminate duplicates Z: 45 28.430 2.052 0.584 0.516 0.886 0.636 CB 1.464 45 residues pruned to eliminate duplicates Z: 80 29.445 1.979 0.585 0.473 0.848 0.570 CB 1.280 80 residues pruned to eliminate duplicates Z: 71 29.364 1.996 0.534 0.502 0.914 0.700 CB 1.252 71 residues pruned to eliminate duplicates Z: 30 27.635 2.040 0.612 0.577 0.966 0.621 CB 1.501 30 residues pruned to eliminate duplicates Z: 46 30.748 2.045 0.593 0.561 0.911 0.533 CB 1.456 46 residues pruned to eliminate duplicates Z: 21 26.515 2.056 0.788 0.707 0.950 0.600 CB 1.407 21 residues pruned to eliminate duplicates Z: 30 28.114 2.069 0.780 0.597 0.931 0.690 CB 1.387 30 residues pruned to eliminate duplicates Z: 33 25.734 2.029 0.631 0.542 0.906 0.500 CB 1.456 33 residues pruned to eliminate duplicates Z: 60 24.816 1.956 0.528 0.447 0.949 0.542 CB 1.203 60 residues pruned to eliminate duplicates Z: 53 32.697 2.037 0.665 0.550 0.904 0.519 CB 1.409 53 residues pruned to eliminate duplicates Z: 53 28.933 2.017 0.620 0.531 0.885 0.538 CB 1.346 53 residues pruned to eliminate duplicates Z: 32 28.293 1.996 0.786 0.590 0.935 0.452 CB 1.398 32 residues pruned to eliminate duplicates Z: 19 20.321 2.030 0.744 0.751 0.889 0.444 CB 1.216 19 residues pruned to eliminate duplicates Z: 55 35.251 2.035 0.737 0.553 0.907 0.537 CB 1.419 55 residues pruned to eliminate duplicates Z: 55 26.260 1.977 0.566 0.507 0.907 0.463 CB 1.263 55 residues pruned to eliminate duplicates Z: 53 29.854 2.025 0.574 0.535 0.904 0.462 CB 1.388 53 residues pruned to eliminate duplicates Z: 53 22.190 1.965 0.561 0.449 0.827 0.308 CB 1.278 53 residues pruned to eliminate duplicates Z: 30 28.545 2.056 0.812 0.587 0.966 0.414 CB 1.355 30 residues pruned to eliminate duplicates Z: 44 28.478 2.047 0.677 0.547 0.907 0.558 CB 1.332 44 residues pruned to eliminate duplicates Z: 31 27.893 2.034 0.808 0.600 0.900 0.467 CB 1.399 31 residues pruned to eliminate duplicates Z: 53 28.679 2.025 0.677 0.513 0.904 0.519 CB 1.279 53 residues pruned to eliminate duplicates Z: 54 31.791 2.025 0.631 0.544 0.943 0.566 CB 1.343 54 residues pruned to eliminate duplicates Z: 47 26.877 2.012 0.721 0.540 0.848 0.500 CB 1.298 47 residues pruned to eliminate duplicates Z: 16 12.591 1.916 0.499 0.305 1.000 0.400 CB 1.406 16 residues pruned to eliminate duplicates Z: 40 21.571 1.883 0.715 0.459 0.872 0.436 CB 1.279 40 residues pruned to eliminate duplicates Z: 49 30.327 1.986 0.699 0.525 0.958 0.542 CB 1.321 49 residues pruned to eliminate duplicates Z: 14 14.046 1.889 0.611 0.368 1.000 0.462 CB 1.475 14 residues pruned to eliminate duplicates Z: 29 21.548 1.865 0.469 0.585 0.964 0.643 CB 1.420 29 residues pruned to eliminate duplicates Z: 76 33.420 1.929 0.589 0.574 0.933 0.587 CB 1.256 76 residues pruned to eliminate duplicates Z: 58 24.593 1.932 0.645 0.462 0.860 0.439 CB 1.239 58 residues pruned to eliminate duplicates Z: 17 11.616 1.722 0.190 0.727 1.000 0.688 CA 1.155 17 residues pruned to eliminate duplicates Z: 69 36.785 1.916 0.687 0.625 0.941 0.603 CB 1.304 69 residues pruned to eliminate duplicates Z: 34 17.724 1.790 0.280 0.711 0.879 0.667 CB 1.264 34 residues pruned to eliminate duplicates Z: 78 32.580 1.916 0.608 0.540 0.922 0.519 CB 1.257 78 residues pruned to eliminate duplicates Z: 26 17.553 1.748 0.540 0.684 0.880 0.680 CB 1.252 26 residues pruned to eliminate duplicates Z: 21 11.802 1.762 0.518 0.520 0.850 0.500 CB 1.138 21 residues pruned to eliminate duplicates Z: 35 20.479 1.790 0.437 0.750 0.912 0.735 CB 1.197 35 residues pruned to eliminate duplicates Z: 26 21.707 1.822 0.567 0.770 0.960 0.720 CB 1.247 26 residues pruned to eliminate duplicates Z: 21 18.867 1.844 0.536 0.793 0.950 0.750 CB 1.213 21 residues pruned to eliminate duplicates Z: 34 18.853 1.743 0.505 0.614 0.909 0.576 CB 1.235 34 residues pruned to eliminate duplicates Z: 93 35.110 1.906 0.574 0.574 0.924 0.522 CB 1.230 93 residues pruned to eliminate duplicates Z: 27 20.565 1.824 0.526 0.736 0.962 0.769 CB 1.220 27 residues pruned to eliminate duplicates Z: 22 18.399 1.791 0.430 0.782 0.952 0.810 CB 1.284 22 residues pruned to eliminate duplicates Z: 22 19.233 1.852 0.586 0.789 0.952 0.667 CB 1.164 22 residues pruned to eliminate duplicates Z: 23 18.816 1.744 0.705 0.764 0.955 0.545 CB 1.118 23 residues pruned to eliminate duplicates Z: 23 16.281 1.826 0.692 0.735 0.864 0.591 CB 1.054 23 residues pruned to eliminate duplicates Z: 31 16.066 1.779 0.673 0.665 0.800 0.533 CB 1.058 31 residues pruned to eliminate duplicates Z: 20 17.543 1.826 0.807 0.848 0.895 0.684 CB 1.011 20 residues pruned to eliminate duplicates Z: 26 22.874 1.809 0.808 0.778 0.960 0.600 CB 1.140 26 residues pruned to eliminate duplicates Z: 22 17.017 1.806 0.702 0.782 0.905 0.571 CB 1.042 22 residues pruned to eliminate duplicates Z: 14 10.936 1.778 0.517 0.753 0.846 0.692 CB 1.061 14 residues pruned to eliminate duplicates Z: 27 23.413 1.863 0.798 0.754 0.962 0.654 CB 1.137 27 residues pruned to eliminate duplicates Z: 35 18.497 1.769 0.718 0.633 0.824 0.441 CB 1.119 35 residues pruned to eliminate duplicates Z: 29 18.765 1.812 0.576 0.734 0.893 0.464 CB 1.127 29 residues pruned to eliminate duplicates Z: 33 22.887 1.849 0.642 0.721 0.906 0.531 CB 1.204 33 residues pruned to eliminate duplicates Z: 28 17.915 1.830 0.568 0.713 0.889 0.407 CB 1.114 28 residues pruned to eliminate duplicates Z: 22 12.451 1.787 0.549 0.548 0.905 0.619 CB 1.035 22 residues pruned to eliminate duplicates Z: 56 18.765 1.772 0.439 0.547 0.873 0.345 CB 1.086 56 residues pruned to eliminate duplicates Z: 18 7.947 1.706 0.466 0.323 0.765 0.529 CB 1.224 15 residues pruned to eliminate duplicates Z: 6 3.211 1.193 0.800 0.439 0.800 0.400 N 0.890 6 residues pruned to eliminate duplicates Z: 12 7.004 1.654 0.321 0.449 0.909 0.455 CB 1.119 12 residues pruned to eliminate duplicates Z: 12 5.658 1.611 0.386 0.458 0.727 0.636 CB 1.096 12 residues pruned to eliminate duplicates Z: 32 21.169 1.761 0.678 0.721 0.935 0.548 CB 1.126 32 residues pruned to eliminate duplicates Z: 11 7.421 1.735 0.399 0.521 0.900 0.700 CB 1.052 11 residues pruned to eliminate duplicates Z: 35 20.812 1.764 0.642 0.708 0.912 0.471 CB 1.119 35 residues pruned to eliminate duplicates 6 -0.106 1.360 0.641 0.680 1.000 1.000 CB-0.018 ? Z: 12 7.659 1.645 0.559 0.521 0.909 0.545 CB 0.970 12 residues pruned to eliminate duplicates Z: 18 15.079 1.746 0.322 0.740 0.882 0.765 CB 1.448 18 residues pruned to eliminate duplicates Z: 52 26.306 1.765 0.549 0.696 0.902 0.608 CB 1.249 53 residues pruned to eliminate duplicates Z: 16 13.360 1.762 0.339 0.749 1.000 0.600 CB 1.171 16 residues pruned to eliminate duplicates Z: 13 20.997 1.950 0.545 0.851 1.000 0.500 CB 1.489 13 residues pruned to eliminate duplicates Z: 15 14.232 1.860 0.345 0.719 0.857 0.357 CB 1.455 15 residues pruned to eliminate duplicates Z: 15 19.926 1.917 0.536 0.876 0.929 0.643 CB 1.415 15 residues pruned to eliminate duplicates Z: 14 15.392 1.762 0.662 0.753 0.846 0.308 CB 1.375 14 residues pruned to eliminate duplicates Z: 13 18.437 1.933 0.611 0.829 0.917 0.750 CB 1.403 13 residues pruned to eliminate duplicates Z: 16 15.439 1.832 0.567 0.663 0.867 0.267 CB 1.377 16 residues pruned to eliminate duplicates Z: 15 13.631 1.795 0.430 0.690 0.929 0.500 CB 1.285 15 residues pruned to eliminate duplicates Z: 19 15.629 1.818 0.519 0.700 0.889 0.389 CB 1.250 19 residues pruned to eliminate duplicates Z: 26 13.355 1.804 0.526 0.588 0.920 0.440 CB 0.969 26 residues pruned to eliminate duplicates Z: 14 17.098 1.852 0.647 0.778 0.846 0.385 CB 1.437 14 residues pruned to eliminate duplicates Z: 21 14.739 1.796 0.395 0.645 1.000 0.450 CB 1.148 21 residues pruned to eliminate duplicates Z: 23 14.340 1.778 0.408 0.666 1.000 0.591 CB 1.047 23 residues pruned to eliminate duplicates Z: 20 9.228 1.776 0.622 0.589 0.895 0.474 CB 0.755 20 residues pruned to eliminate duplicates Z: 9 4.296 1.917 0.337 0.419 1.000 0.625 CB 0.645 9 residues pruned to eliminate duplicates Z: 10 5.556 1.944 0.466 0.365 1.000 0.556 CB 0.751 10 residues pruned to eliminate duplicates Z: 11 6.230 1.864 0.487 0.455 0.900 0.600 CB 0.827 11 residues pruned to eliminate duplicates Z: 17 6.460 1.822 0.604 0.480 0.812 0.625 CB 0.695 17 residues pruned to eliminate duplicates Z: 8 4.450 1.833 0.209 0.517 1.000 1.000 CB 0.747 8 residues pruned to eliminate duplicates Z: 42 20.134 1.866 0.382 0.505 0.927 0.707 CB 1.309 42 residues pruned to eliminate duplicates Z: 13 6.110 1.808 0.407 0.379 0.917 0.583 CB 0.861 13 residues pruned to eliminate duplicates Z: 13 5.291 1.857 0.612 0.237 0.917 0.500 CB 0.755 13 residues pruned to eliminate duplicates Z: 14 4.079 1.784 0.461 0.292 0.923 0.538 CB 0.594 14 residues pruned to eliminate duplicates Z: 30 21.075 1.931 0.560 0.514 0.897 0.586 CB 1.429 30 residues pruned to eliminate duplicates Z: 30 24.909 1.974 0.426 0.625 0.931 0.793 CB 1.569 30 residues pruned to eliminate duplicates Z: 33 22.227 1.981 0.335 0.600 0.906 0.562 CB 1.490 33 residues pruned to eliminate duplicates Z: 29 24.770 1.991 0.431 0.602 0.964 0.714 CB 1.547 29 residues pruned to eliminate duplicates Z: 26 20.211 1.935 0.470 0.575 0.880 0.560 CB 1.502 26 residues pruned to eliminate duplicates Z: 29 23.834 1.977 0.368 0.610 0.964 0.607 CB 1.556 29 residues pruned to eliminate duplicates Z: 31 25.565 1.885 0.489 0.632 0.967 0.800 CB 1.519 31 residues pruned to eliminate duplicates Z: 41 23.543 1.950 0.474 0.526 0.950 0.625 CB 1.329 41 residues pruned to eliminate duplicates Z: 30 22.008 1.913 0.317 0.644 0.931 0.655 CB 1.522 30 residues pruned to eliminate duplicates Z: 22 25.272 2.039 0.436 0.721 0.952 0.762 CB 1.620 22 residues pruned to eliminate duplicates Z: 30 22.754 1.961 0.401 0.611 0.897 0.724 CB 1.544 30 residues pruned to eliminate duplicates Z: 23 21.416 2.021 0.410 0.657 0.909 0.727 CB 1.523 23 residues pruned to eliminate duplicates Z: 30 24.034 1.943 0.452 0.631 0.931 0.655 CB 1.502 30 residues pruned to eliminate duplicates Z: 16 21.300 2.017 0.508 0.798 0.867 0.733 CB 1.608 16 residues pruned to eliminate duplicates Z: 31 23.950 1.977 0.394 0.567 0.967 0.600 CB 1.539 31 residues pruned to eliminate duplicates Z: 41 24.755 1.927 0.586 0.581 0.925 0.600 CB 1.280 41 residues pruned to eliminate duplicates Z: 30 25.706 1.941 0.644 0.668 0.862 0.655 CB 1.485 30 residues pruned to eliminate duplicates Z: 28 24.185 1.993 0.425 0.626 0.926 0.704 CB 1.571 28 residues pruned to eliminate duplicates Z: 32 23.669 1.981 0.421 0.620 0.935 0.677 CB 1.441 32 residues pruned to eliminate duplicates Z: 31 25.106 2.005 0.483 0.620 0.867 0.700 CB 1.587 31 residues pruned to eliminate duplicates Z: 40 22.144 1.976 0.390 0.534 0.923 0.667 CB 1.352 40 residues pruned to eliminate duplicates Z: 28 26.671 2.002 0.455 0.649 0.926 0.630 CA 1.657 28 residues pruned to eliminate duplicates Z: 29 25.685 1.991 0.537 0.600 0.893 0.571 CA 1.616 29 residues pruned to eliminate duplicates Z: 28 24.086 1.958 0.611 0.610 0.889 0.704 CB 1.489 28 residues pruned to eliminate duplicates Z: 27 26.960 2.012 0.446 0.623 1.000 0.538 CB 1.618 27 residues pruned to eliminate duplicates Z: 29 23.667 1.904 0.414 0.620 0.964 0.607 CB 1.538 29 residues pruned to eliminate duplicates Z: 113 74.310 2.252 0.756 0.619 0.946 0.705 CB 1.677 113 residues pruned to eliminate duplicates Z: 88 53.126 2.220 0.635 0.529 0.943 0.655 CB 1.618 88 residues pruned to eliminate duplicates Z: 77 43.577 2.168 0.554 0.509 0.921 0.526 CB 1.597 77 residues pruned to eliminate duplicates Z: 65 37.726 2.165 0.464 0.558 0.891 0.594 CB 1.579 65 residues pruned to eliminate duplicates Z: 42 27.747 2.025 0.468 0.604 0.829 0.537 CB 1.593 42 residues pruned to eliminate duplicates Z: 81 67.281 2.347 0.888 0.590 0.925 0.650 CB 1.684 81 residues pruned to eliminate duplicates Z: 14 20.337 2.134 0.571 0.731 0.846 0.538 CB 1.616 14 residues pruned to eliminate duplicates Z: 88 62.153 2.238 0.905 0.546 0.931 0.690 CB 1.606 88 residues pruned to eliminate duplicates Z: 103 59.148 2.219 0.616 0.634 0.922 0.667 CB 1.563 103 residues pruned to eliminate duplicates Z: 62 53.362 2.337 0.860 0.510 0.934 0.623 CB 1.666 62 residues pruned to eliminate duplicates Z: 21 22.498 2.183 0.625 0.580 0.850 0.500 CB 1.544 21 residues pruned to eliminate duplicates Z: 87 70.699 2.306 0.996 0.595 0.907 0.616 CB 1.668 87 residues pruned to eliminate duplicates Z: 66 46.481 2.266 0.788 0.473 0.908 0.492 CB 1.612 66 residues pruned to eliminate duplicates Z: 86 76.177 2.323 0.924 0.621 0.965 0.671 CB 1.709 86 residues pruned to eliminate duplicates Z: 81 65.455 2.345 0.874 0.576 0.950 0.688 CB 1.629 81 residues pruned to eliminate duplicates Z: 48 32.612 2.115 0.403 0.601 0.894 0.532 CB 1.628 48 residues pruned to eliminate duplicates Z: 76 65.301 2.312 0.875 0.598 0.947 0.707 CA 1.674 76 residues pruned to eliminate duplicates Z: 47 36.511 2.084 0.592 0.629 0.891 0.609 CB 1.612 47 residues pruned to eliminate duplicates Z: 35 29.028 2.198 0.593 0.531 0.912 0.441 CB 1.513 35 residues pruned to eliminate duplicates Z: 47 29.690 2.250 0.534 0.385 0.891 0.543 CB 1.608 47 residues pruned to eliminate duplicates Z: 86 74.247 2.345 0.870 0.624 0.953 0.753 CB 1.714 86 residues pruned to eliminate duplicates Z: 135 71.619 2.181 0.731 0.617 0.933 0.604 CB 1.572 133 residues pruned to eliminate duplicates Z: 7 12.988 2.039 0.823 0.515 1.000 0.500 CB 1.406 7 residues pruned to eliminate duplicates Z: 48 37.748 2.265 0.685 0.451 0.915 0.532 CB 1.658 48 residues pruned to eliminate duplicates Z: 72 62.142 2.277 0.864 0.611 0.944 0.761 CA 1.657 72 residues pruned to eliminate duplicates Z: 52 40.652 2.276 0.681 0.459 0.922 0.608 CB 1.684 52 residues pruned to eliminate duplicates Z: 44 35.959 2.276 0.601 0.458 0.953 0.605 CA 1.648 44 residues pruned to eliminate duplicates Z: 104 54.590 2.204 0.706 0.502 0.942 0.641 CB 1.516 104 residues pruned to eliminate duplicates Z: 45 41.667 2.362 0.729 0.469 0.932 0.523 CB 1.703 45 residues pruned to eliminate duplicates Z: 78 64.898 2.292 0.835 0.596 0.935 0.649 CB 1.716 78 residues pruned to eliminate duplicates Z: 45 35.032 2.295 0.740 0.437 0.841 0.477 CB 1.678 45 residues pruned to eliminate duplicates Z: 71 69.113 2.315 0.949 0.646 0.943 0.657 CA 1.695 71 residues pruned to eliminate duplicates Z: 98 67.831 2.253 0.881 0.584 0.959 0.619 CB 1.564 98 residues pruned to eliminate duplicates Z: 87 66.205 2.311 0.795 0.604 0.919 0.686 CB 1.698 87 residues pruned to eliminate duplicates Z: 70 55.219 2.290 0.703 0.621 0.942 0.725 CA 1.616 70 residues pruned to eliminate duplicates Z: 69 64.927 2.327 0.801 0.636 0.985 0.765 CA 1.678 69 residues pruned to eliminate duplicates Z: 72 63.051 2.253 0.912 0.621 0.944 0.732 CA 1.642 72 residues pruned to eliminate duplicates Z: 31 26.588 2.249 0.655 0.376 0.967 0.600 CB 1.540 31 residues pruned to eliminate duplicates Z: 46 38.531 2.304 0.820 0.434 0.933 0.578 CB 1.571 46 residues pruned to eliminate duplicates Z: 46 41.275 2.346 0.830 0.465 0.911 0.622 CB 1.630 46 residues pruned to eliminate duplicates Z: 91 67.983 2.286 0.843 0.572 0.956 0.622 CB 1.661 91 residues pruned to eliminate duplicates Z: 59 52.865 2.356 0.834 0.513 0.931 0.621 CB 1.703 59 residues pruned to eliminate duplicates Z: 67 65.928 2.329 0.915 0.620 0.970 0.727 CA 1.675 67 residues pruned to eliminate duplicates Z: 48 25.036 2.133 0.646 0.332 0.830 0.489 CB 1.506 48 residues pruned to eliminate duplicates Z: 90 63.733 2.266 0.791 0.622 0.910 0.629 CB 1.630 90 residues pruned to eliminate duplicates Z: 49 37.348 2.267 0.663 0.415 0.938 0.521 CB 1.668 49 residues pruned to eliminate duplicates Z: 75 59.197 2.302 0.843 0.566 0.932 0.716 CA 1.633 75 residues pruned to eliminate duplicates Z: 90 75.329 2.292 0.955 0.603 0.966 0.584 CB 1.672 90 residues pruned to eliminate duplicates Z: 49 71.038 2.321 1.139 0.765 1.000 0.750 CA 1.633 49 residues pruned to eliminate duplicates Z: 39 55.516 2.288 1.131 0.711 0.947 0.763 CB 1.609 39 residues pruned to eliminate duplicates Z: 129 67.407 2.174 0.788 0.589 0.914 0.641 CB 1.540 129 residues pruned to eliminate duplicates Z: 89 66.098 2.275 0.933 0.580 0.909 0.659 CB 1.632 89 residues pruned to eliminate duplicates Z: 84 67.809 2.329 0.891 0.596 0.928 0.627 CA 1.661 84 residues pruned to eliminate duplicates Z: 44 60.940 2.294 1.052 0.747 0.953 0.837 CB 1.661 44 residues pruned to eliminate duplicates Z: 61 55.828 2.359 0.896 0.526 0.950 0.567 CB 1.653 61 residues pruned to eliminate duplicates Z: 45 60.597 2.293 1.010 0.744 0.955 0.682 CB 1.669 45 residues pruned to eliminate duplicates Z: 47 52.506 2.192 0.902 0.753 0.913 0.696 CA 1.622 47 residues pruned to eliminate duplicates Z: 82 76.408 2.349 0.970 0.623 0.963 0.630 CB 1.696 82 residues pruned to eliminate duplicates Z: 89 59.480 2.210 0.900 0.524 0.932 0.523 CB 1.582 89 residues pruned to eliminate duplicates Z: 65 64.982 2.319 1.078 0.561 0.938 0.531 CB 1.696 65 residues pruned to eliminate duplicates Z: 41 62.084 2.315 1.062 0.793 0.950 0.725 CA 1.674 41 residues pruned to eliminate duplicates Z: 80 69.947 2.347 0.966 0.587 0.924 0.595 CB 1.699 80 residues pruned to eliminate duplicates Z: 71 67.131 2.298 0.998 0.627 0.943 0.600 CA 1.644 71 residues pruned to eliminate duplicates Z: 40 62.164 2.314 1.136 0.794 0.897 0.590 CA 1.733 40 residues pruned to eliminate duplicates Z: 86 67.946 2.266 0.853 0.558 0.976 0.553 CB 1.699 86 residues pruned to eliminate duplicates Z: 116 77.257 2.221 0.786 0.630 0.965 0.609 CA 1.665 129 residues pruned to eliminate duplicates Z: 43 69.915 2.291 1.232 0.794 0.976 0.548 CB 1.670 45 residues pruned to eliminate duplicates Z: 29 52.700 2.193 0.979 0.936 0.964 0.607 CB 1.658 28 residues pruned to eliminate duplicates Z: 28 53.420 2.213 1.004 0.932 0.963 0.741 CA 1.682 28 residues pruned to eliminate duplicates Z: 83 72.376 2.353 0.864 0.601 0.963 0.683 CA 1.718 83 residues pruned to eliminate duplicates Z: 45 69.600 2.259 1.185 0.807 0.977 0.545 CB 1.664 44 residues pruned to eliminate duplicates Z: 30 50.405 2.167 0.936 0.929 0.966 0.655 CA 1.618 30 residues pruned to eliminate duplicates Z: 59 59.945 2.172 0.912 0.799 0.948 0.552 CB 1.538 45 residues pruned to eliminate duplicates Z: 23 53.777 2.256 1.255 0.887 1.000 0.682 CB 1.625 23 residues pruned to eliminate duplicates Z: 112 71.842 2.251 0.733 0.607 0.955 0.586 CB 1.653 112 residues pruned to eliminate duplicates Z: 90 71.362 2.292 0.895 0.619 0.933 0.562 CB 1.669 90 residues pruned to eliminate duplicates Z: 58 61.009 2.182 0.921 0.792 0.930 0.614 CB 1.605 58 residues pruned to eliminate duplicates Z: 71 68.366 2.291 0.985 0.624 0.943 0.500 CB 1.695 71 residues pruned to eliminate duplicates Z: 84 71.407 2.301 0.961 0.602 0.916 0.446 CB 1.721 84 residues pruned to eliminate duplicates Z: 45 57.236 2.256 1.143 0.712 0.909 0.364 CB 1.620 45 residues pruned to eliminate duplicates Z: 33 48.167 2.119 1.107 0.831 0.969 0.750 CA 1.480 33 residues pruned to eliminate duplicates Z: 84 75.818 2.332 0.981 0.601 0.952 0.518 CA 1.719 84 residues pruned to eliminate duplicates Z: 97 53.983 2.135 0.663 0.599 0.927 0.562 CB 1.524 53 residues pruned to eliminate duplicates Z: 28 50.528 2.180 1.073 0.930 0.926 0.519 CB 1.625 28 residues pruned to eliminate duplicates Z: 55 58.142 2.219 0.998 0.771 0.944 0.611 CB 1.486 55 residues pruned to eliminate duplicates Z: 46 67.370 2.292 1.173 0.806 0.956 0.511 CB 1.617 46 residues pruned to eliminate duplicates Z: 98 73.188 2.248 0.902 0.631 0.959 0.485 CB 1.603 98 residues pruned to eliminate duplicates Z: 95 72.049 2.263 0.953 0.598 0.936 0.489 CB 1.635 95 residues pruned to eliminate duplicates Z: 58 64.911 2.165 1.187 0.787 0.982 0.404 CB 1.436 58 residues pruned to eliminate duplicates Z: 28 24.383 1.882 0.648 0.711 0.926 0.593 CB 1.349 28 residues pruned to eliminate duplicates Z: 94 67.297 2.203 0.942 0.624 0.935 0.473 CB 1.551 94 residues pruned to eliminate duplicates Z: 54 56.928 2.182 1.094 0.728 0.943 0.434 CB 1.478 54 residues pruned to eliminate duplicates Z: 13 14.020 1.967 0.194 0.798 1.000 0.750 CB 1.328 13 residues pruned to eliminate duplicates Z: 13 11.406 1.870 0.181 0.755 0.917 0.667 CA 1.296 13 residues pruned to eliminate duplicates Z: 12 14.312 1.963 0.320 0.856 0.909 0.818 CB 1.351 12 residues pruned to eliminate duplicates Z: 12 13.082 1.936 0.278 0.829 0.909 0.545 CB 1.319 12 residues pruned to eliminate duplicates Z: 13 14.981 1.947 0.313 0.797 1.000 0.750 CB 1.304 13 residues pruned to eliminate duplicates Z: 11 14.410 2.012 0.453 0.839 0.900 0.700 CB 1.293 11 residues pruned to eliminate duplicates Z: 13 14.201 1.887 0.389 0.753 1.000 0.500 CB 1.248 13 residues pruned to eliminate duplicates Z: 13 12.782 1.869 0.414 0.754 0.917 0.667 CB 1.215 13 residues pruned to eliminate duplicates Z: 14 14.561 1.847 0.355 0.772 1.000 0.385 CB 1.269 14 residues pruned to eliminate duplicates Z: 14 14.528 1.851 0.430 0.773 0.923 0.538 CB 1.296 14 residues pruned to eliminate duplicates Z: 14 17.201 1.913 0.555 0.823 1.000 0.538 CB 1.212 14 residues pruned to eliminate duplicates Z: 13 16.351 1.854 0.574 0.843 1.000 0.583 CB 1.205 13 residues pruned to eliminate duplicates Z: 10 4.155 1.486 0.300 0.309 0.778 0.444 O 1.139 10 residues pruned to eliminate duplicates Z: 15 9.229 1.877 0.218 0.459 0.929 0.643 CB 1.211 15 residues pruned to eliminate duplicates Z: 16 7.710 1.696 0.162 0.446 0.867 0.667 CB 1.233 16 residues pruned to eliminate duplicates Z: 14 10.690 1.911 0.231 0.511 0.923 0.692 CB 1.350 14 residues pruned to eliminate duplicates Z: 6 3.623 1.673 0.230 0.373 0.800 0.800 CB 1.127 6 residues pruned to eliminate duplicates Z: 17 7.754 1.723 0.121 0.413 0.875 0.500 CB 1.256 17 residues pruned to eliminate duplicates Z: 20 7.721 1.709 0.193 0.408 0.895 0.526 CB 1.070 15 residues pruned to eliminate duplicates Z: 8 6.552 1.523 0.467 0.587 1.000 0.857 CA 1.020 12 residues pruned to eliminate duplicates Z: 7 7.385 1.581 0.608 0.493 1.000 0.500 N 1.194 7 residues pruned to eliminate duplicates Z: 12 4.163 1.461 0.647 0.263 0.727 0.364 CB 0.939 4 residues pruned to eliminate duplicates Z: 15 21.480 2.041 0.747 0.731 0.857 0.714 CA 1.526 15 residues pruned to eliminate duplicates Z: 44 26.746 1.978 0.547 0.545 0.907 0.605 CB 1.407 80 residues pruned to eliminate duplicates Z: 14 27.876 2.038 0.642 0.870 1.000 0.769 N 1.687 14 residues pruned to eliminate duplicates Z: 29 27.465 2.073 0.576 0.599 0.964 0.679 CB 1.499 29 residues pruned to eliminate duplicates Z: 28 27.142 2.046 0.645 0.644 0.926 0.667 CB 1.465 28 residues pruned to eliminate duplicates Z: 27 30.203 2.105 0.635 0.640 0.962 0.731 CB 1.570 27 residues pruned to eliminate duplicates Z: 34 23.891 1.948 0.618 0.550 0.909 0.606 CB 1.382 34 residues pruned to eliminate duplicates Z: 27 28.512 2.095 0.498 0.676 0.962 0.769 CB 1.575 27 residues pruned to eliminate duplicates Z: 27 27.101 2.059 0.579 0.601 0.923 0.769 CA 1.609 27 residues pruned to eliminate duplicates Z: 28 29.104 2.077 0.683 0.649 0.926 0.778 CB 1.506 28 residues pruned to eliminate duplicates Z: 28 25.816 2.072 0.497 0.612 0.963 0.741 CB 1.496 28 residues pruned to eliminate duplicates Z: 27 24.315 2.083 0.511 0.599 0.885 0.654 CB 1.558 27 residues pruned to eliminate duplicates Z: 27 28.718 2.098 0.619 0.648 0.923 0.731 CB 1.565 27 residues pruned to eliminate duplicates Z: 28 25.711 2.098 0.564 0.614 0.926 0.704 CB 1.462 28 residues pruned to eliminate duplicates Z: 27 27.426 2.095 0.565 0.627 0.923 0.692 CB 1.577 27 residues pruned to eliminate duplicates Z: 29 24.637 2.007 0.598 0.611 0.929 0.571 CB 1.407 29 residues pruned to eliminate duplicates Z: 28 24.731 2.058 0.495 0.634 0.926 0.444 CB 1.473 28 residues pruned to eliminate duplicates Z: 28 28.036 2.060 0.654 0.643 0.926 0.667 CB 1.496 28 residues pruned to eliminate duplicates Z: 28 28.671 2.094 0.638 0.634 0.926 0.630 CB 1.532 28 residues pruned to eliminate duplicates Z: 39 22.930 1.968 0.427 0.584 0.868 0.553 CB 1.408 39 residues pruned to eliminate duplicates Z: 27 27.076 2.077 0.594 0.622 0.923 0.731 CB 1.549 27 residues pruned to eliminate duplicates Z: 29 22.370 2.000 0.513 0.614 0.929 0.536 CB 1.351 29 residues pruned to eliminate duplicates Z: 80 35.164 1.957 0.520 0.610 0.911 0.633 CB 1.315 97 residues pruned to eliminate duplicates Z: 16 8.502 1.616 0.216 0.681 0.933 0.800 CB 1.013 16 residues pruned to eliminate duplicates Z: 39 26.948 2.010 0.442 0.603 0.921 0.711 CB 1.484 39 residues pruned to eliminate duplicates Z: 29 16.151 1.667 0.494 0.724 0.893 0.643 CB 1.122 29 residues pruned to eliminate duplicates Z: 34 27.304 1.883 0.669 0.758 0.939 0.667 CB 1.280 34 residues pruned to eliminate duplicates Z: 21 21.874 1.819 0.636 0.872 0.900 0.700 CB 1.332 21 residues pruned to eliminate duplicates Z: 35 29.560 1.888 0.677 0.772 0.941 0.588 CB 1.337 35 residues pruned to eliminate duplicates Z: 21 21.164 1.753 0.629 0.835 1.000 0.450 CB 1.242 21 residues pruned to eliminate duplicates Z: 22 20.533 1.792 0.691 0.823 0.905 0.524 CB 1.235 22 residues pruned to eliminate duplicates Z: 34 25.694 1.887 0.667 0.732 0.939 0.667 CB 1.229 34 residues pruned to eliminate duplicates Z: 31 24.137 1.894 0.694 0.664 0.900 0.467 CB 1.311 31 residues pruned to eliminate duplicates Z: 39 27.674 1.878 0.742 0.718 0.947 0.605 CB 1.190 39 residues pruned to eliminate duplicates Z: 37 27.665 1.881 0.702 0.705 0.944 0.472 CB 1.266 37 residues pruned to eliminate duplicates Z: 40 28.285 1.854 0.773 0.667 0.949 0.436 CB 1.245 40 residues pruned to eliminate duplicates Z: 34 35.256 1.910 0.872 0.785 1.000 0.636 CB 1.335 34 residues pruned to eliminate duplicates Z: 34 27.975 1.914 0.693 0.768 0.909 0.576 CB 1.303 34 residues pruned to eliminate duplicates Z: 31 24.390 1.902 0.782 0.712 0.900 0.433 CB 1.205 31 residues pruned to eliminate duplicates Z: 34 24.751 1.871 0.769 0.665 0.909 0.515 CB 1.229 34 residues pruned to eliminate duplicates Z: 35 27.803 1.864 0.914 0.755 0.912 0.588 CB 1.168 35 residues pruned to eliminate duplicates Z: 33 32.223 1.912 0.918 0.758 0.969 0.594 CB 1.274 33 residues pruned to eliminate duplicates Z: 64 37.463 1.951 0.629 0.697 0.921 0.651 CB 1.347 63 residues pruned to eliminate duplicates Z: 17 20.094 2.036 0.366 0.794 0.938 0.812 CA 1.488 17 residues pruned to eliminate duplicates Z: 26 22.516 1.967 0.686 0.677 0.880 0.880 CB 1.311 28 residues pruned to eliminate duplicates Z: 16 28.253 2.048 0.681 0.888 1.000 0.867 CA 1.527 16 residues pruned to eliminate duplicates Z: 26 27.610 1.978 0.679 0.739 0.960 0.720 CB 1.397 25 residues pruned to eliminate duplicates Z: 17 22.838 2.040 0.560 0.805 0.938 0.625 CA 1.465 17 residues pruned to eliminate duplicates Z: 28 25.281 1.957 0.659 0.614 0.926 0.667 CB 1.453 28 residues pruned to eliminate duplicates Z: 18 26.868 2.050 0.645 0.750 0.941 0.647 CA 1.642 18 residues pruned to eliminate duplicates Z: 29 22.196 1.947 0.470 0.644 0.893 0.750 CB 1.434 29 residues pruned to eliminate duplicates Z: 27 25.693 1.941 0.573 0.705 0.962 0.577 CB 1.424 27 residues pruned to eliminate duplicates Z: 17 32.083 2.072 0.825 0.863 1.000 0.812 CA 1.556 17 residues pruned to eliminate duplicates Z: 29 17.711 1.867 0.500 0.534 0.857 0.571 CB 1.349 29 residues pruned to eliminate duplicates Z: 34 19.582 1.879 0.545 0.562 0.848 0.515 CB 1.302 34 residues pruned to eliminate duplicates Z: 64 37.176 1.932 0.634 0.695 0.921 0.667 CB 1.349 64 residues pruned to eliminate duplicates Z: 25 25.491 1.951 0.683 0.724 0.917 0.792 CB 1.413 25 residues pruned to eliminate duplicates Z: 31 28.041 1.913 0.660 0.687 0.967 0.667 CB 1.405 30 residues pruned to eliminate duplicates Z: 17 30.798 1.994 0.836 0.893 1.000 0.812 CA 1.510 17 residues pruned to eliminate duplicates Z: 26 26.167 1.978 0.583 0.717 0.960 0.800 CB 1.431 26 residues pruned to eliminate duplicates Z: 29 26.555 1.987 0.567 0.665 0.964 0.679 CB 1.435 29 residues pruned to eliminate duplicates Z: 26 28.812 1.996 0.748 0.748 0.920 0.760 CB 1.438 27 residues pruned to eliminate duplicates Z: 12 19.484 2.082 0.722 0.840 0.818 0.455 CA 1.495 12 residues pruned to eliminate duplicates Z: 18 22.277 2.140 0.736 0.615 0.882 0.471 CB 1.478 18 residues pruned to eliminate duplicates Z: 63 33.853 2.219 0.667 0.455 0.887 0.468 CB 1.372 63 residues pruned to eliminate duplicates Z: 52 26.965 2.110 0.670 0.396 0.863 0.471 CB 1.386 52 residues pruned to eliminate duplicates Z: 53 29.873 2.198 0.619 0.435 0.885 0.558 CB 1.407 53 residues pruned to eliminate duplicates Z: 64 34.234 2.158 0.646 0.453 0.921 0.524 CB 1.384 64 residues pruned to eliminate duplicates Z: 69 33.097 2.151 0.722 0.450 0.853 0.426 CB 1.337 69 residues pruned to eliminate duplicates Z: 62 29.635 2.172 0.647 0.474 0.836 0.459 CB 1.302 62 residues pruned to eliminate duplicates Z: 49 31.455 2.181 0.687 0.536 0.875 0.458 CB 1.361 49 residues pruned to eliminate duplicates Z: 101 57.535 2.223 0.687 0.583 0.940 0.670 CB 1.507 101 residues pruned to eliminate duplicates Z: 56 29.605 2.186 0.678 0.433 0.855 0.509 CB 1.364 56 residues pruned to eliminate duplicates Z: 115 57.672 2.185 0.708 0.597 0.886 0.649 CB 1.489 101 residues pruned to eliminate duplicates Z: 8 6.006 1.773 0.479 0.444 0.857 0.429 CB 1.069 8 residues pruned to eliminate duplicates Z: 63 34.848 2.150 0.690 0.449 0.919 0.484 CB 1.396 63 residues pruned to eliminate duplicates Z: 62 33.461 2.206 0.682 0.481 0.852 0.508 CB 1.381 62 residues pruned to eliminate duplicates Z: 59 35.977 2.192 0.717 0.470 0.914 0.466 CB 1.415 59 residues pruned to eliminate duplicates Z: 65 36.612 2.190 0.695 0.487 0.906 0.516 CB 1.378 65 residues pruned to eliminate duplicates Z: 65 38.677 2.179 0.713 0.485 0.906 0.672 CB 1.451 65 residues pruned to eliminate duplicates Z: 63 37.254 2.235 0.694 0.490 0.919 0.677 CB 1.373 63 residues pruned to eliminate duplicates Z: 86 54.189 2.224 0.726 0.616 0.894 0.647 CB 1.534 86 residues pruned to eliminate duplicates Z: 62 29.884 2.208 0.559 0.440 0.836 0.410 CB 1.413 62 residues pruned to eliminate duplicates Z: 61 31.906 2.107 0.731 0.421 0.883 0.450 CB 1.388 61 residues pruned to eliminate duplicates Z: 53 30.160 2.196 0.637 0.434 0.923 0.558 CB 1.349 53 residues pruned to eliminate duplicates Z: 63 35.533 2.213 0.619 0.488 0.903 0.468 CB 1.411 63 residues pruned to eliminate duplicates Z: 63 36.642 2.218 0.699 0.501 0.887 0.484 CB 1.390 63 residues pruned to eliminate duplicates Z: 21 9.382 1.952 0.358 0.290 0.850 0.500 CB 1.177 21 residues pruned to eliminate duplicates Z: 59 36.636 2.200 0.766 0.491 0.897 0.586 CB 1.393 59 residues pruned to eliminate duplicates Z: 64 33.641 2.168 0.647 0.474 0.905 0.524 CB 1.347 64 residues pruned to eliminate duplicates Z: 101 57.490 2.217 0.591 0.611 0.930 0.680 CB 1.578 101 residues pruned to eliminate duplicates Z: 119 56.014 2.188 0.610 0.605 0.907 0.636 CB 1.461 119 residues pruned to eliminate duplicates Z: 107 60.129 2.225 0.771 0.597 0.915 0.651 CB 1.476 107 residues pruned to eliminate duplicates Z: 107 54.202 2.231 0.574 0.602 0.915 0.670 CB 1.486 107 residues pruned to eliminate duplicates Z: 19 11.027 2.046 0.515 0.322 0.944 0.556 CB 1.080 19 residues pruned to eliminate duplicates Z: 19 11.038 2.044 0.442 0.325 0.889 0.556 CB 1.204 19 residues pruned to eliminate duplicates Z: 118 61.505 2.227 0.649 0.628 0.915 0.692 CB 1.502 118 residues pruned to eliminate duplicates Z: 118 56.960 2.195 0.756 0.613 0.872 0.564 CB 1.409 118 residues pruned to eliminate duplicates Z: 92 55.453 2.234 0.789 0.585 0.901 0.637 CB 1.487 92 residues pruned to eliminate duplicates Z: 86 55.605 2.235 0.630 0.651 0.953 0.741 CB 1.509 86 residues pruned to eliminate duplicates Z: 65 58.069 2.207 0.799 0.768 0.938 0.750 CB 1.538 65 residues pruned to eliminate duplicates Z: 63 63.423 2.250 0.804 0.784 0.968 0.774 CB 1.598 63 residues pruned to eliminate duplicates Z: 95 63.727 2.211 0.817 0.693 0.915 0.628 CB 1.499 95 residues pruned to eliminate duplicates Z: 62 54.590 2.236 0.690 0.790 0.951 0.721 CB 1.508 62 residues pruned to eliminate duplicates Z: 86 53.470 2.201 0.707 0.620 0.941 0.706 CB 1.464 86 residues pruned to eliminate duplicates Z: 85 50.874 2.227 0.636 0.642 0.917 0.690 CB 1.456 85 residues pruned to eliminate duplicates Z: 86 58.352 2.252 0.717 0.648 0.941 0.659 CB 1.514 86 residues pruned to eliminate duplicates Z: 62 63.766 2.264 0.902 0.798 0.934 0.738 CB 1.563 62 residues pruned to eliminate duplicates Z: 107 57.591 2.224 0.735 0.598 0.925 0.613 CB 1.427 107 residues pruned to eliminate duplicates Z: 67 49.482 2.219 0.810 0.601 0.939 0.636 CB 1.466 67 residues pruned to eliminate duplicates Z: 79 53.957 2.189 0.775 0.664 0.910 0.628 CB 1.483 79 residues pruned to eliminate duplicates Z: 60 59.911 2.249 0.831 0.774 0.949 0.678 CB 1.567 60 residues pruned to eliminate duplicates Z: 114 61.867 2.209 0.738 0.609 0.920 0.619 CB 1.485 114 residues pruned to eliminate duplicates Z: 66 54.539 2.213 0.730 0.746 0.938 0.646 CB 1.511 66 residues pruned to eliminate duplicates Z: 48 47.081 2.222 0.826 0.747 0.915 0.702 CB 1.484 48 residues pruned to eliminate duplicates Z: 86 51.194 2.172 0.758 0.607 0.918 0.518 CB 1.432 86 residues pruned to eliminate duplicates Z: 62 65.574 2.244 0.928 0.797 0.967 0.689 CB 1.547 62 residues pruned to eliminate duplicates Z: 121 69.069 2.225 0.745 0.650 0.950 0.667 CB 1.487 121 residues pruned to eliminate duplicates Z: 85 60.875 2.224 0.846 0.636 0.940 0.571 CB 1.515 85 residues pruned to eliminate duplicates Z: 106 65.667 2.259 0.839 0.615 0.943 0.571 CB 1.468 106 residues pruned to eliminate duplicates Z: 66 60.482 2.225 0.920 0.748 0.923 0.662 CB 1.524 66 residues pruned to eliminate duplicates Z: 118 66.721 2.202 0.848 0.599 0.923 0.615 CB 1.494 130 residues pruned to eliminate duplicates Z: 30 51.022 2.276 0.768 0.941 1.000 0.828 CB 1.634 30 residues pruned to eliminate duplicates Z: 63 65.744 2.283 0.895 0.787 0.968 0.694 CB 1.549 65 residues pruned to eliminate duplicates Z: 29 54.433 2.249 0.932 0.938 1.000 0.714 CB 1.647 29 residues pruned to eliminate duplicates Z: 58 54.290 2.207 0.855 0.758 0.912 0.561 CB 1.530 58 residues pruned to eliminate duplicates Z: 118 66.299 2.248 0.819 0.643 0.915 0.590 CB 1.434 119 residues pruned to eliminate duplicates Z: 31 48.587 2.226 0.886 0.929 0.933 0.500 CB 1.584 31 residues pruned to eliminate duplicates Z: 58 59.808 2.208 0.968 0.766 0.947 0.579 CB 1.520 58 residues pruned to eliminate duplicates Z: 114 56.455 2.184 0.764 0.603 0.903 0.478 CB 1.384 114 residues pruned to eliminate duplicates Z: 64 64.005 2.219 1.063 0.772 0.937 0.381 CB 1.478 64 residues pruned to eliminate duplicates Z: 120 66.450 2.240 0.840 0.629 0.916 0.613 CB 1.429 120 residues pruned to eliminate duplicates Z: 49 66.780 2.324 1.037 0.817 0.979 0.542 CB 1.578 49 residues pruned to eliminate duplicates Z: 44 63.464 2.310 1.050 0.833 0.977 0.535 CB 1.570 44 residues pruned to eliminate duplicates Z: 85 49.874 2.209 0.785 0.591 0.893 0.452 CB 1.417 85 residues pruned to eliminate duplicates Z: 65 55.742 2.188 0.970 0.774 0.922 0.469 CB 1.376 65 residues pruned to eliminate duplicates Z: 45 51.740 2.200 1.072 0.746 0.932 0.409 CB 1.474 45 residues pruned to eliminate duplicates Z: 61 63.553 2.248 0.954 0.812 0.967 0.467 CB 1.473 61 residues pruned to eliminate duplicates Z: 38 38.390 2.110 0.907 0.696 0.892 0.432 CB 1.471 38 residues pruned to eliminate duplicates Z: 64 64.852 2.220 1.046 0.765 0.968 0.460 CB 1.469 64 residues pruned to eliminate duplicates Z: 62 66.258 2.261 0.972 0.783 0.967 0.492 CB 1.533 62 residues pruned to eliminate duplicates Z: 63 61.346 2.234 0.910 0.782 0.968 0.500 CB 1.472 63 residues pruned to eliminate duplicates Z: 107 60.555 2.196 0.762 0.593 0.953 0.575 CB 1.459 107 residues pruned to eliminate duplicates Z: 61 67.319 2.242 1.016 0.793 0.983 0.583 CB 1.512 61 residues pruned to eliminate duplicates Z: 63 64.921 2.245 0.879 0.788 0.968 0.548 CB 1.569 63 residues pruned to eliminate duplicates Z: 13 23.250 2.104 0.764 0.767 1.000 0.750 CB 1.427 13 residues pruned to eliminate duplicates Z: 14 20.842 2.054 0.708 0.702 0.923 0.615 CB 1.486 14 residues pruned to eliminate duplicates Z: 15 20.016 2.081 0.813 0.747 0.929 0.643 CB 1.225 15 residues pruned to eliminate duplicates Z: 118 66.625 2.234 0.806 0.623 0.923 0.504 CB 1.473 118 residues pruned to eliminate duplicates Z: 13 19.823 2.112 0.716 0.750 0.917 0.667 CB 1.378 13 residues pruned to eliminate duplicates Z: 47 49.679 2.201 0.918 0.786 0.913 0.457 CB 1.478 47 residues pruned to eliminate duplicates Z: 12 23.506 2.103 0.890 0.724 0.909 0.455 CB 1.602 12 residues pruned to eliminate duplicates Z: 15 18.668 2.079 0.568 0.754 0.857 0.643 CB 1.424 15 residues pruned to eliminate duplicates Z: 12 20.217 2.140 0.766 0.779 0.909 0.636 CB 1.386 12 residues pruned to eliminate duplicates Z: 93 51.973 2.096 0.837 0.646 0.880 0.467 CB 1.395 93 residues pruned to eliminate duplicates Z: 8 8.188 1.653 0.732 0.362 1.000 0.571 CA 1.254 Z: 10 21.491 1.993 0.670 0.803 1.000 0.778 CA 1.651 10 residues pruned to eliminate duplicates Z: 15 16.482 2.061 0.736 0.484 0.857 0.500 CB 1.460 15 residues pruned to eliminate duplicates Z: 120 64.164 2.231 0.688 0.619 0.933 0.630 CB 1.496 120 residues pruned to eliminate duplicates Z: 15 14.876 2.035 0.573 0.568 0.929 0.500 CB 1.252 15 residues pruned to eliminate duplicates Z: 16 16.465 1.960 0.850 0.617 0.867 0.400 CB 1.211 16 residues pruned to eliminate duplicates Z: 46 27.957 2.191 0.580 0.527 0.867 0.467 CB 1.353 46 residues pruned to eliminate duplicates Z: 119 65.933 2.253 0.773 0.624 0.898 0.669 CB 1.505 119 residues pruned to eliminate duplicates Z: 14 16.507 2.129 0.638 0.649 0.846 0.538 CB 1.350 14 residues pruned to eliminate duplicates Z: 29 26.400 2.195 0.493 0.659 0.964 0.607 CB 1.362 29 residues pruned to eliminate duplicates Z: 13 17.924 2.146 0.556 0.720 1.000 0.500 CB 1.270 13 residues pruned to eliminate duplicates Z: 52 28.173 2.246 0.600 0.426 0.843 0.471 CB 1.405 52 residues pruned to eliminate duplicates Z: 47 26.665 2.158 0.626 0.436 0.913 0.565 CB 1.311 47 residues pruned to eliminate duplicates Z: 28 25.014 2.099 0.777 0.599 0.889 0.370 CB 1.322 28 residues pruned to eliminate duplicates Z: 63 31.160 2.186 0.728 0.462 0.823 0.419 CB 1.325 63 residues pruned to eliminate duplicates Z: 35 28.727 2.162 0.718 0.591 0.912 0.588 CB 1.334 35 residues pruned to eliminate duplicates Z: 63 34.091 2.212 0.634 0.457 0.887 0.548 CB 1.410 63 residues pruned to eliminate duplicates Z: 7 6.471 1.518 0.271 0.576 1.000 0.500 N 1.272 8 residues pruned to eliminate duplicates Z: 6 2.833 1.368 0.102 0.363 1.000 0.800 N 0.973 6 residues pruned to eliminate duplicates Z: 8 3.714 1.466 0.339 0.357 0.857 0.571 N 0.973 8 residues pruned to eliminate duplicates Z: 14 6.574 1.643 0.200 0.344 0.846 0.462 CB 1.294 17 residues pruned to eliminate duplicates 7 1.983 1.399 0.523 0.361 0.667 0.667 CB 0.663 ? Z: 14 16.832 1.877 0.738 0.775 0.846 0.308 CB 1.326 14 residues pruned to eliminate duplicates Z: 18 7.255 1.808 0.344 0.273 0.882 0.412 CB 1.062 18 residues pruned to eliminate duplicates Z: 12 7.416 1.911 0.391 0.398 0.909 0.636 CB 1.031 12 residues pruned to eliminate duplicates Z: 17 7.989 1.811 0.485 0.322 0.812 0.500 CB 1.113 17 residues pruned to eliminate duplicates Z: 10 9.378 1.984 0.657 0.414 0.889 0.556 CB 1.170 10 residues pruned to eliminate duplicates Z: 12 6.917 1.807 0.529 0.346 0.818 0.182 CB 1.091 12 residues pruned to eliminate duplicates Z: 19 12.544 1.829 0.842 0.455 0.944 0.611 CB 0.973 30 residues pruned to eliminate duplicates Z: 9 5.122 1.665 0.308 0.415 1.000 0.500 CB 0.909 9 residues pruned to eliminate duplicates Z: 6 6.805 1.582 0.704 0.625 0.800 0.600 O 1.254 6 residues pruned to eliminate duplicates Z: 8 6.878 1.763 0.400 0.607 0.857 0.571 CB 1.109 8 residues pruned to eliminate duplicates Z: 10 6.390 1.630 0.872 0.509 0.778 0.333 CB 0.890 Z: 6 6.160 1.694 0.814 0.470 1.000 0.800 CA 0.925 6 residues pruned to eliminate duplicates Z: 6 3.117 1.688 0.660 0.304 0.800 0.600 CB 0.773 6 residues pruned to eliminate duplicates Z: 46 32.542 2.107 0.750 0.487 0.933 0.533 CB 1.429 46 residues pruned to eliminate duplicates Z: 11 15.402 1.964 0.580 0.698 0.900 0.700 CA 1.456 11 residues pruned to eliminate duplicates Z: 42 26.663 2.065 0.564 0.467 0.878 0.585 CB 1.519 42 residues pruned to eliminate duplicates Z: 38 26.155 2.131 0.541 0.517 0.865 0.514 CB 1.488 38 residues pruned to eliminate duplicates Z: 34 23.002 2.124 0.559 0.440 0.909 0.545 CB 1.416 34 residues pruned to eliminate duplicates Z: 37 26.843 2.081 0.575 0.483 0.917 0.528 CB 1.514 37 residues pruned to eliminate duplicates Z: 30 26.391 2.201 0.593 0.511 0.897 0.586 CB 1.542 30 residues pruned to eliminate duplicates Z: 32 23.740 2.034 0.441 0.480 0.968 0.613 CB 1.535 32 residues pruned to eliminate duplicates Z: 112 52.514 2.060 0.636 0.596 0.901 0.649 CB 1.497 175 residues pruned to eliminate duplicates Z: 43 24.500 2.053 0.535 0.445 0.857 0.452 CB 1.480 6 residues pruned to eliminate duplicates Z: 12 18.404 2.117 0.639 0.654 0.909 0.909 CB 1.525 12 residues pruned to eliminate duplicates Z: 19 19.762 1.991 0.686 0.482 0.944 0.556 CB 1.496 18 residues pruned to eliminate duplicates Z: 7 5.274 1.410 0.782 0.432 1.000 0.667 CB 0.919 7 residues pruned to eliminate duplicates Z: 18 13.173 2.024 0.493 0.452 0.882 0.353 CB 1.258 18 residues pruned to eliminate duplicates Z: 18 19.689 2.099 0.631 0.489 0.941 0.588 CB 1.499 19 residues pruned to eliminate duplicates Z: 11 11.138 1.860 0.366 0.532 0.900 0.400 N 1.493 11 residues pruned to eliminate duplicates Z: 25 18.810 2.017 0.608 0.584 0.792 0.500 CB 1.380 25 residues pruned to eliminate duplicates Z: 29 30.731 2.160 0.823 0.547 0.929 0.464 CB 1.517 43 residues pruned to eliminate duplicates Z: 9 14.630 1.845 0.498 0.879 0.875 0.625 N 1.551 10 residues pruned to eliminate duplicates Z: 7 3.546 1.577 0.225 0.520 0.667 0.333 CB 1.102 7 residues pruned to eliminate duplicates Z: 40 28.836 2.092 0.766 0.459 0.897 0.615 CB 1.453 16 residues pruned to eliminate duplicates Z: 11 17.908 1.967 0.686 0.735 0.900 0.600 N 1.536 11 residues pruned to eliminate duplicates Z: 25 21.832 2.058 0.691 0.495 0.833 0.542 CB 1.545 25 residues pruned to eliminate duplicates Z: 32 22.692 2.053 0.615 0.505 0.935 0.548 CB 1.307 26 residues pruned to eliminate duplicates Z: 9 23.523 2.128 0.565 0.905 1.000 0.750 CB 1.778 9 residues pruned to eliminate duplicates Z: 13 12.937 1.951 0.562 0.495 0.833 0.417 N 1.478 13 residues pruned to eliminate duplicates Z: 33 21.094 1.976 0.664 0.549 0.875 0.625 CB 1.236 33 residues pruned to eliminate duplicates Z: 33 21.796 2.058 0.673 0.359 0.844 0.594 CB 1.544 33 residues pruned to eliminate duplicates Z: 28 21.203 2.041 0.617 0.515 0.889 0.704 CB 1.370 28 residues pruned to eliminate duplicates Z: 40 27.881 2.110 0.707 0.447 0.897 0.590 CB 1.458 40 residues pruned to eliminate duplicates Z: 26 23.672 2.138 0.708 0.526 0.960 0.680 CB 1.316 26 residues pruned to eliminate duplicates Z: 32 21.391 2.042 0.580 0.527 0.903 0.677 CB 1.284 32 residues pruned to eliminate duplicates Z: 28 19.907 2.030 0.639 0.501 0.852 0.556 CB 1.350 28 residues pruned to eliminate duplicates Z: 29 16.588 1.918 0.643 0.474 0.821 0.643 CB 1.243 29 residues pruned to eliminate duplicates Z: 41 32.481 2.019 0.662 0.580 0.950 0.600 CB 1.492 41 residues pruned to eliminate duplicates Z: 7 10.943 1.925 0.897 0.701 0.833 0.500 CB 1.222 7 residues pruned to eliminate duplicates Z: 21 14.944 1.929 0.749 0.460 0.900 0.500 CB 1.147 21 residues pruned to eliminate duplicates Z: 25 18.365 1.975 0.706 0.469 1.000 0.708 CB 1.148 25 residues pruned to eliminate duplicates Z: 16 17.068 2.128 0.917 0.528 0.867 0.733 CB 1.213 16 residues pruned to eliminate duplicates Z: 32 21.752 2.047 0.589 0.528 0.871 0.742 CB 1.341 32 residues pruned to eliminate duplicates Z: 50 28.542 2.102 0.743 0.442 0.816 0.469 CB 1.447 50 residues pruned to eliminate duplicates Z: 19 12.072 1.842 0.550 0.363 0.944 0.556 CB 1.223 19 residues pruned to eliminate duplicates Z: 39 29.074 2.130 0.809 0.465 0.921 0.474 CB 1.377 39 residues pruned to eliminate duplicates Z: 18 11.192 2.015 0.554 0.421 0.824 0.647 CB 1.144 18 residues pruned to eliminate duplicates Z: 11 10.362 1.952 0.612 0.403 0.800 0.700 CB 1.442 11 residues pruned to eliminate duplicates Z: 30 22.470 2.008 0.744 0.495 0.931 0.414 CB 1.287 30 residues pruned to eliminate duplicates Z: 12 4.825 1.665 0.171 0.431 0.818 0.545 CB 0.980 12 residues pruned to eliminate duplicates Z: 17 7.480 1.579 0.372 0.575 0.875 0.438 CB 0.917 20 residues pruned to eliminate duplicates Z: 9 7.095 1.497 0.386 0.679 0.875 0.500 CB 1.173 9 residues pruned to eliminate duplicates Z: 19 8.152 1.470 0.397 0.384 0.944 0.500 CB 1.121 22 residues pruned to eliminate duplicates Z: 6 5.003 1.375 0.380 0.789 1.000 0.600 CB 0.915 6 residues pruned to eliminate duplicates Z: 17 9.861 1.517 0.460 0.539 0.938 0.438 CB 1.143 17 residues pruned to eliminate duplicates Z: 20 10.962 1.523 0.559 0.502 0.895 0.474 CB 1.181 20 residues pruned to eliminate duplicates Z: 11 8.259 1.405 0.565 0.755 0.800 0.300 CB 1.183 9 residues pruned to eliminate duplicates Z: 8 6.228 1.449 0.192 0.810 0.857 0.571 CB 1.214 8 residues pruned to eliminate duplicates Z: 20 9.304 1.534 0.415 0.481 0.789 0.368 CB 1.269 20 residues pruned to eliminate duplicates Z: 16 8.279 1.529 0.288 0.590 0.800 0.533 CB 1.245 16 residues pruned to eliminate duplicates Z: 27 8.107 1.550 0.217 0.397 0.846 0.346 CB 1.110 30 residues pruned to eliminate duplicates Z: 7 4.195 1.460 0.329 0.343 0.833 0.667 N 1.255 7 residues pruned to eliminate duplicates Z: 9 6.131 1.736 0.109 0.512 0.875 0.375 CB 1.272 9 residues pruned to eliminate duplicates Z: 13 6.440 1.584 0.122 0.461 0.917 0.750 CB 1.188 13 residues pruned to eliminate duplicates Z: 9 6.504 1.730 0.435 0.321 0.875 0.375 CB 1.290 9 residues pruned to eliminate duplicates Z: 10 9.457 1.778 0.190 0.527 1.000 0.889 CB 1.449 10 residues pruned to eliminate duplicates Z: 12 21.286 2.026 0.656 0.729 1.000 0.545 CB 1.556 12 residues pruned to eliminate duplicates Z: 28 20.357 2.077 0.633 0.491 0.852 0.444 CB 1.368 28 residues pruned to eliminate duplicates Z: 13 17.795 2.227 0.662 0.580 0.833 0.500 CA 1.542 13 residues pruned to eliminate duplicates Z: 28 21.477 2.029 0.714 0.502 0.852 0.519 CB 1.393 28 residues pruned to eliminate duplicates Z: 27 21.103 2.093 0.601 0.532 0.808 0.462 CB 1.482 34 residues pruned to eliminate duplicates Z: 31 20.024 1.979 0.771 0.440 0.867 0.367 CB 1.280 31 residues pruned to eliminate duplicates Z: 18 13.092 1.887 0.583 0.460 0.824 0.294 CB 1.344 18 residues pruned to eliminate duplicates Z: 26 24.050 2.117 0.752 0.527 0.880 0.440 CB 1.434 26 residues pruned to eliminate duplicates Z: 29 20.353 2.085 0.721 0.509 0.821 0.429 CB 1.294 29 residues pruned to eliminate duplicates Z: 28 25.008 2.139 0.851 0.544 0.815 0.444 CB 1.429 28 residues pruned to eliminate duplicates Z: 34 24.564 2.029 0.713 0.485 0.879 0.455 CB 1.421 34 residues pruned to eliminate duplicates Z: 25 18.448 2.075 0.641 0.470 0.833 0.417 CB 1.368 25 residues pruned to eliminate duplicates Z: 19 12.844 1.981 0.705 0.387 0.778 0.444 CB 1.299 19 residues pruned to eliminate duplicates Z: 28 20.419 2.142 0.671 0.498 0.852 0.296 CB 1.291 28 residues pruned to eliminate duplicates Z: 24 20.374 2.153 0.504 0.447 0.957 0.478 CB 1.448 24 residues pruned to eliminate duplicates Z: 35 24.151 2.044 0.603 0.527 0.882 0.559 CB 1.395 33 residues pruned to eliminate duplicates Z: 10 8.401 1.814 0.452 0.454 0.889 0.444 CB 1.254 10 residues pruned to eliminate duplicates Z: 16 18.143 1.992 0.814 0.466 0.933 0.600 CB 1.438 16 residues pruned to eliminate duplicates Z: 29 16.221 2.004 0.378 0.417 0.929 0.536 CB 1.303 29 residues pruned to eliminate duplicates Z: 35 23.385 2.140 0.492 0.459 0.853 0.500 CB 1.536 35 residues pruned to eliminate duplicates Z: 31 17.928 2.080 0.394 0.437 0.800 0.500 CB 1.506 31 residues pruned to eliminate duplicates Z: 23 16.924 2.123 0.549 0.427 0.818 0.409 CB 1.448 23 residues pruned to eliminate duplicates Z: 36 22.156 2.149 0.541 0.452 0.829 0.429 CB 1.434 36 residues pruned to eliminate duplicates Z: 26 20.729 2.131 0.608 0.514 0.840 0.640 CB 1.421 26 residues pruned to eliminate duplicates Z: 11 15.393 1.813 0.993 0.702 0.900 0.400 CB 1.245 11 residues pruned to eliminate duplicates Z: 26 19.720 2.159 0.498 0.484 0.920 0.440 CB 1.347 26 residues pruned to eliminate duplicates Z: 10 11.644 1.839 0.686 0.732 0.889 0.444 CB 1.143 10 residues pruned to eliminate duplicates Z: 18 18.009 2.226 0.634 0.532 0.824 0.471 CB 1.413 18 residues pruned to eliminate duplicates Z: 55 24.242 2.080 0.595 0.410 0.815 0.500 CB 1.342 55 residues pruned to eliminate duplicates Z: 52 27.848 2.139 0.693 0.446 0.824 0.510 CB 1.383 52 residues pruned to eliminate duplicates Z: 26 17.607 2.071 0.674 0.505 0.800 0.440 CB 1.263 26 residues pruned to eliminate duplicates Z: 10 9.985 2.124 1.049 0.391 0.667 0.556 CB 1.288 10 residues pruned to eliminate duplicates Z: 27 20.324 2.135 0.742 0.469 0.808 0.654 CB 1.369 27 residues pruned to eliminate duplicates Z: 21 16.301 2.050 0.742 0.398 0.900 0.550 CB 1.262 17 residues pruned to eliminate duplicates Z: 20 31.716 2.080 0.937 0.853 0.947 0.684 CB 1.410 20 residues pruned to eliminate duplicates Z: 32 21.346 2.000 0.925 0.388 0.806 0.387 CB 1.391 32 residues pruned to eliminate duplicates Z: 17 21.781 2.178 0.714 0.509 0.875 0.500 CB 1.653 17 residues pruned to eliminate duplicates Z: 44 24.010 2.096 0.652 0.400 0.837 0.512 CB 1.403 44 residues pruned to eliminate duplicates Z: 12 9.690 2.026 0.371 0.326 0.818 0.455 CB 1.556 12 residues pruned to eliminate duplicates Z: 11 10.080 2.021 0.310 0.407 0.900 0.700 CB 1.476 11 residues pruned to eliminate duplicates Z: 27 21.480 2.158 0.730 0.530 0.808 0.500 CB 1.357 27 residues pruned to eliminate duplicates Z: 30 20.218 2.046 0.754 0.494 0.897 0.586 CB 1.173 30 residues pruned to eliminate duplicates Z: 6 3.976 1.620 -0.114 0.738 0.800 0.200 CB 1.251 Z: 9 7.620 1.616 0.213 0.789 0.875 0.625 CB 1.218 6 residues pruned to eliminate duplicates Z: 8 5.100 1.605 0.305 0.747 1.000 0.857 CB 0.738 8 residues pruned to eliminate duplicates Z: 8 5.950 1.653 0.523 0.741 1.000 0.714 CB 0.720 8 residues pruned to eliminate duplicates Z: 7 5.686 1.771 0.442 0.785 1.000 0.667 CB 0.707 7 residues pruned to eliminate duplicates 1154 residues left after pruning, divided into chains as follows: A: 7 B: 8 C: 26 D: 6 E: 28 F: 7 G: 22 H: 7 I: 112 J: 16 K: 57 L: 90 M: 17 N: 53 O: 308 P: 96 Q: 118 R: 17 S: 51 T: 29 U: 79 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 34.33 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.492, Connect. = 0.738 for dens.mod. cycle 1 = 0.300, Contrast = 0.560, Connect. = 0.756 for dens.mod. cycle 2 = 0.300, Contrast = 0.660, Connect. = 0.784 for dens.mod. cycle 3 = 0.300, Contrast = 0.666, Connect. = 0.784 for dens.mod. cycle 4 = 0.300, Contrast = 0.673, Connect. = 0.784 for dens.mod. cycle 5 = 0.300, Contrast = 0.676, Connect. = 0.784 for dens.mod. cycle 6 = 0.300, Contrast = 0.680, Connect. = 0.785 for dens.mod. cycle 7 = 0.300, Contrast = 0.682, Connect. = 0.786 for dens.mod. cycle 8 = 0.300, Contrast = 0.684, Connect. = 0.787 for dens.mod. cycle 9 = 0.300, Contrast = 0.685, Connect. = 0.788 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.56 - 3.62 - 3.16 - 2.87 - 2.66 - 2.50 - 2.38 - 2.27 - 2.19 - 2.11 0.735 0.738 0.692 0.679 0.671 0.660 0.663 0.601 0.599 0.548 0.861 0.876 0.851 0.858 0.856 0.852 0.874 0.855 0.856 0.789 N 10070 9996 10032 10061 10242 10280 9641 10740 9128 9958 Estimated mean FOM = 0.659 Pseudo-free CC = 68.50 % Best trace (cycle 2 with CC 35.18%) was saved as ./2ash-2.1-parrot-mrncs/2ash-2.1-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 1.4 - Setup, data input and phasing 18.1 - FFTs and peak-searches 47.0 - Sphere of influence 1.0 - Rest of density modification 0.0 - Alpha-helix search 2346.4 - Tripeptide search 18330.6 - Chain tracing 0.0 - NCS analysis 95.4 - B-value refinement for trace 0.5 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 01:44:02 Total time: 20840.76 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 349.78 Used memory is bytes: 53646016