++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:34:15 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: ./2obn-2.3-parrot-mrncs/2obn-2.3-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2obn-2.3-parrot-mrncs/2obn-2.3-parrot-mrncs.ins Phases from ./2obn-2.3-parrot-mrncs/2obn-2.3-parrot-mrncs.phi Native data from ./2obn-2.3-parrot-mrncs/2obn-2.3-parrot-mrncs.hkl Listing output to ./2obn-2.3-parrot-mrncs/2obn-2.3-parrot-mrncs.lst Phases output to ./2obn-2.3-parrot-mrncs/2obn-2.3-parrot-mrncs.phs Poly-Ala trace output to ./2obn-2.3-parrot-mrncs/2obn-2.3-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 21 1 Allowed origin shift code: 2 58827 Reflections read from file ./2obn-2.3-parrot-mrncs/2obn-2.3-parrot-mrncs.phi 58827 Reflections read from file ./2obn-2.3-parrot-mrncs/2obn-2.3-parrot-mrncs.hkl 58827 Unique data, highest resolution = 2.300 Angstroms Anisotropic scaling: intensities multiplied by 0.000114h^2 +0.000024k^2 -0.000104l^2 +0.000000kl +0.000087hl +0.000000hk 112 Reflections with d > 2.500 and 0 in range 2.500 > d > 2.300 added Density sharpening factor set to 0.30 Fourier grid = 128 x 256 x 49 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.673 = 0.300, Contrast = 0.340, Connect. = 0.697 for dens.mod. cycle 1 = 0.300, Contrast = 0.396, Connect. = 0.707 for dens.mod. cycle 2 = 0.300, Contrast = 0.488, Connect. = 0.734 for dens.mod. cycle 3 = 0.300, Contrast = 0.516, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.534, Connect. = 0.748 for dens.mod. cycle 5 = 0.300, Contrast = 0.547, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.555, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.562, Connect. = 0.758 for dens.mod. cycle 8 = 0.300, Contrast = 0.566, Connect. = 0.760 for dens.mod. cycle 9 = 0.300, Contrast = 0.569, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4026 peaks > 0.5 sigma used to seed fragment search Space for about 1487 unique residues taking solvent into account 1193 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 25.722 1.885 0.893 0.846 1.000 0.722 CB 1.262 B: 15 23.296 1.912 0.765 0.941 1.000 1.000 CB 1.280 C: 19 26.037 1.899 1.035 0.788 1.000 0.722 CB 1.233 19 residues pruned to eliminate duplicates D: 11 18.823 1.937 0.596 0.888 1.000 0.600 CB 1.387 E: 13 15.322 1.780 0.755 0.810 0.917 0.667 CA 1.179 13 residues pruned to eliminate duplicates F: 18 20.579 1.715 0.663 0.922 0.941 0.941 CA 1.307 G: 20 20.341 1.969 0.766 0.729 0.842 0.737 CB 1.296 20 residues pruned to eliminate duplicates H: 12 16.999 1.835 0.723 0.880 1.000 0.636 CB 1.175 12 residues pruned to eliminate duplicates I: 20 22.668 1.897 0.804 0.764 0.947 0.789 CB 1.269 20 residues pruned to eliminate duplicates J: 18 21.815 2.006 0.825 0.766 0.882 0.412 CB 1.294 18 residues pruned to eliminate duplicates K: 18 31.920 1.777 1.143 0.927 1.000 0.882 CA 1.424 L: 16 19.846 1.777 0.868 0.914 0.933 0.867 CB 1.170 M: 18 30.311 2.006 1.072 0.803 1.000 0.529 CB 1.357 19 residues pruned to eliminate duplicates N: 15 21.966 1.850 0.777 0.940 0.929 0.929 CB 1.336 15 residues pruned to eliminate duplicates O: 16 20.847 1.825 0.616 0.920 1.000 0.933 CA 1.286 P: 13 16.160 1.738 0.941 0.821 0.917 0.667 CB 1.142 Q: 6 4.946 1.623 0.186 0.633 0.800 0.800 CA 1.269 R: 11 18.071 1.977 0.930 0.855 0.900 0.500 CB 1.229 13 residues pruned to eliminate duplicates S: 7 12.951 1.850 0.985 0.859 1.000 0.833 CB 1.060 T: 6 6.016 1.592 0.659 0.699 1.000 1.000 CA 0.850 U: 14 26.875 1.947 0.743 0.945 1.000 0.923 CA 1.520 15 residues pruned to eliminate duplicates V: 14 21.947 1.883 0.666 0.890 0.923 0.923 CA 1.513 14 residues pruned to eliminate duplicates W: 19 24.743 1.973 0.756 0.770 0.944 0.667 CB 1.403 19 residues pruned to eliminate duplicates X: 20 20.691 1.882 0.401 0.775 1.000 0.789 CA 1.412 Y: 15 7.464 1.715 0.403 0.440 0.929 0.500 CB 0.949 Z: 15 21.104 1.766 0.995 0.922 0.929 0.857 CA 1.213 15 residues pruned to eliminate duplicates Z: 18 26.082 1.683 1.119 0.930 0.941 0.765 CB 1.318 18 residues pruned to eliminate duplicates Z: 6 16.905 1.866 0.890 0.874 1.000 0.800 CA 1.560 Z: 16 26.008 1.801 1.065 0.934 1.000 0.867 CB 1.259 16 residues pruned to eliminate duplicates Z: 12 12.619 1.800 0.617 0.825 0.909 0.636 CA 1.084 12 residues pruned to eliminate duplicates Z: 8 20.073 1.881 1.054 0.900 1.000 0.714 CA 1.403 Z: 16 29.656 1.891 1.060 0.913 0.933 0.800 CA 1.491 8 residues pruned to eliminate duplicates Z: 10 18.398 2.091 0.805 0.876 0.889 0.889 CB 1.328 10 residues pruned to eliminate duplicates Z: 17 32.576 1.893 1.208 0.873 1.000 0.938 CA 1.419 16 residues pruned to eliminate duplicates Z: 8 12.719 1.823 0.474 0.899 1.000 1.000 CB 1.279 7 residues pruned to eliminate duplicates Z: 17 27.011 1.813 0.978 0.922 0.938 0.875 CA 1.413 18 residues pruned to eliminate duplicates Z: 17 26.005 2.051 0.751 0.857 0.938 0.875 CB 1.423 17 residues pruned to eliminate duplicates Z: 17 19.667 1.828 0.902 0.755 0.875 0.625 CB 1.288 17 residues pruned to eliminate duplicates Z: 10 20.005 2.053 0.700 0.877 1.000 1.000 CA 1.388 Z: 14 20.132 1.902 0.847 0.853 0.846 0.769 CB 1.388 14 residues pruned to eliminate duplicates Z: 11 13.947 1.973 0.712 0.813 1.000 0.800 CB 0.995 11 residues pruned to eliminate duplicates Z: 8 19.146 1.890 0.928 0.907 1.000 1.000 CA 1.412 8 residues pruned to eliminate duplicates Z: 15 9.219 1.838 0.515 0.533 0.929 0.786 CB 0.923 Z: 16 16.298 1.832 0.322 0.937 1.000 0.933 CA 1.209 16 residues pruned to eliminate duplicates Z: 16 25.282 2.076 0.669 0.821 1.000 0.733 CB 1.426 16 residues pruned to eliminate duplicates Z: 19 26.249 1.715 1.129 0.928 0.944 0.889 CA 1.256 19 residues pruned to eliminate duplicates Z: 30 21.237 1.887 0.591 0.530 0.931 0.586 CB 1.371 6 residues pruned to eliminate duplicates Z: 17 25.587 1.748 0.745 0.941 1.000 0.875 N 1.455 17 residues pruned to eliminate duplicates Z: 18 18.743 1.850 0.807 0.782 0.824 0.588 CB 1.287 Z: 19 26.845 1.834 0.977 0.891 0.944 0.833 CA 1.329 18 residues pruned to eliminate duplicates Z: 6 9.355 1.773 0.673 0.810 0.800 0.800 CB 1.345 6 residues pruned to eliminate duplicates Z: 14 16.675 1.808 0.760 0.810 0.923 0.692 CB 1.201 14 residues pruned to eliminate duplicates Z: 13 21.272 1.929 0.634 0.911 1.000 0.917 CA 1.381 Z: 11 18.648 1.877 0.747 0.898 1.000 0.800 CA 1.287 10 residues pruned to eliminate duplicates Z: 13 18.572 1.889 0.662 0.865 1.000 0.833 CB 1.251 Z: 16 22.010 1.717 1.005 0.844 0.867 0.667 CB 1.417 16 residues pruned to eliminate duplicates Z: 15 20.088 1.870 0.810 0.863 0.929 0.714 CA 1.254 15 residues pruned to eliminate duplicates Z: 20 23.267 1.961 0.813 0.785 0.947 0.684 CB 1.233 20 residues pruned to eliminate duplicates Z: 14 13.910 1.606 0.820 0.828 0.846 0.615 C 1.174 14 residues pruned to eliminate duplicates Z: 15 18.981 1.842 0.739 0.904 1.000 0.786 CB 1.128 Z: 17 20.566 1.765 0.744 0.872 1.000 0.625 CA 1.218 Z: 18 27.042 1.752 0.996 0.941 1.000 0.941 CA 1.301 18 residues pruned to eliminate duplicates Z: 18 32.598 1.875 1.246 0.917 0.941 0.765 CA 1.408 18 residues pruned to eliminate duplicates Z: 8 12.675 1.737 0.693 0.827 0.857 0.857 C 1.432 Z: 17 26.820 1.844 0.927 0.928 1.000 1.000 CA 1.322 17 residues pruned to eliminate duplicates Z: 19 21.167 1.902 0.729 0.748 1.000 0.833 CB 1.216 19 residues pruned to eliminate duplicates Z: 16 33.303 1.929 1.162 0.934 1.000 0.867 CA 1.438 17 residues pruned to eliminate duplicates Z: 19 11.710 1.678 0.632 0.562 0.889 0.611 CB 1.067 Z: 10 12.905 2.049 0.818 0.842 0.778 0.667 CB 1.107 10 residues pruned to eliminate duplicates Z: 17 27.784 1.829 1.033 0.943 0.938 0.938 CA 1.380 16 residues pruned to eliminate duplicates Z: 17 5.810 1.711 0.519 0.238 0.688 0.375 CB 1.101 Z: 10 5.916 1.717 0.346 0.457 0.889 0.444 CB 1.003 10 residues pruned to eliminate duplicates Z: 20 17.356 1.876 0.375 0.782 0.895 0.737 CA 1.345 20 residues pruned to eliminate duplicates Z: 17 20.810 1.763 0.619 0.926 1.000 0.875 CA 1.277 17 residues pruned to eliminate duplicates Z: 15 23.206 1.896 0.668 0.923 0.929 0.857 CB 1.484 15 residues pruned to eliminate duplicates Z: 16 29.492 1.942 0.955 0.921 1.000 0.933 CA 1.412 16 residues pruned to eliminate duplicates Z: 14 11.315 1.776 0.633 0.669 0.846 0.615 CB 1.094 14 residues pruned to eliminate duplicates Z: 66 35.860 1.830 0.864 0.591 0.954 0.738 CB 1.252 26 residues pruned to eliminate duplicates Z: 14 15.154 1.879 0.578 0.836 0.923 0.846 CB 1.149 14 residues pruned to eliminate duplicates Z: 19 35.805 1.820 1.249 0.927 1.000 0.889 CA 1.445 19 residues pruned to eliminate duplicates Z: 17 21.486 1.949 0.693 0.803 1.000 0.688 CA 1.249 18 residues pruned to eliminate duplicates Z: 7 3.502 1.749 0.365 0.439 0.667 0.667 CB 0.956 Z: 6 15.282 1.896 0.689 0.874 1.000 0.800 CA 1.554 6 residues pruned to eliminate duplicates Z: 19 33.462 1.783 1.267 0.934 1.000 0.889 CB 1.361 19 residues pruned to eliminate duplicates Z: 14 16.957 1.732 0.755 0.886 0.923 0.769 CB 1.209 14 residues pruned to eliminate duplicates Z: 15 11.566 1.799 0.417 0.728 0.786 0.571 CB 1.257 15 residues pruned to eliminate duplicates Z: 11 8.441 1.453 0.792 0.697 1.000 0.600 CA 0.857 Z: 17 23.126 1.864 0.826 0.900 1.000 0.688 CA 1.213 17 residues pruned to eliminate duplicates Z: 10 16.147 1.954 0.661 0.848 0.889 0.778 CA 1.383 Z: 17 23.899 1.734 1.050 0.924 0.938 0.750 CB 1.259 17 residues pruned to eliminate duplicates Z: 26 10.348 1.763 0.431 0.405 0.760 0.440 CB 1.192 26 residues pruned to eliminate duplicates Z: 19 22.534 1.928 0.632 0.756 0.944 0.444 CA 1.424 19 residues pruned to eliminate duplicates Z: 11 3.867 1.695 0.265 0.280 0.700 0.500 CB 1.044 4 residues pruned to eliminate duplicates Z: 16 23.241 1.869 0.925 0.920 0.933 0.733 CA 1.258 17 residues pruned to eliminate duplicates Z: 15 17.077 1.847 0.732 0.828 0.857 0.714 CB 1.253 15 residues pruned to eliminate duplicates Z: 16 9.083 1.769 0.339 0.420 1.000 0.400 CB 1.076 15 residues pruned to eliminate duplicates Z: 54 23.494 1.819 0.702 0.492 0.887 0.642 CB 1.185 16 residues pruned to eliminate duplicates Z: 23 18.774 1.958 0.611 0.588 0.864 0.773 CA 1.350 10 residues pruned to eliminate duplicates Z: 16 34.002 1.922 1.282 0.892 1.000 0.867 CB 1.438 16 residues pruned to eliminate duplicates Z: 24 19.401 1.842 0.795 0.740 0.870 0.652 CB 1.135 24 residues pruned to eliminate duplicates Z: 13 15.553 1.766 0.461 0.900 1.000 0.917 CA 1.242 13 residues pruned to eliminate duplicates Z: 16 22.995 1.849 0.897 0.911 1.000 0.800 CB 1.199 13 residues pruned to eliminate duplicates Z: 8 3.210 1.622 0.089 0.438 0.857 0.571 CB 0.855 Z: 16 22.403 1.783 1.106 0.926 0.933 0.733 CB 1.158 16 residues pruned to eliminate duplicates Z: 22 19.574 1.816 0.806 0.667 0.905 0.762 CB 1.234 6 residues pruned to eliminate duplicates Z: 14 9.426 1.516 0.434 0.887 0.923 0.769 CB 0.939 Z: 41 19.162 1.918 0.638 0.425 0.850 0.600 CB 1.227 26 residues pruned to eliminate duplicates Z: 14 13.854 1.770 0.413 0.686 1.000 0.846 CB 1.295 15 residues pruned to eliminate duplicates Z: 17 22.209 1.775 0.716 0.934 1.000 0.938 CA 1.271 17 residues pruned to eliminate duplicates Z: 14 12.430 1.755 0.110 0.898 1.000 0.846 CA 1.266 14 residues pruned to eliminate duplicates Z: 12 26.189 1.978 1.087 0.903 1.000 1.000 CA 1.364 14 residues pruned to eliminate duplicates Z: 6 10.751 1.581 1.062 0.782 1.000 0.600 N 1.150 6 residues pruned to eliminate duplicates Z: 16 22.526 1.957 0.703 0.848 0.933 0.800 CB 1.387 17 residues pruned to eliminate duplicates Z: 15 22.850 1.808 0.568 0.920 1.000 0.714 CB 1.517 15 residues pruned to eliminate duplicates Z: 7 11.057 1.683 0.802 0.826 1.000 0.667 CB 1.123 7 residues pruned to eliminate duplicates Z: 17 19.961 1.894 0.730 0.788 0.875 0.625 CA 1.352 17 residues pruned to eliminate duplicates Z: 16 24.753 1.871 0.999 0.922 0.933 0.867 CA 1.287 16 residues pruned to eliminate duplicates Z: 16 18.240 1.776 0.870 0.913 0.867 0.800 CB 1.158 16 residues pruned to eliminate duplicates Z: 16 20.076 1.865 0.638 0.919 0.933 0.800 CB 1.282 15 residues pruned to eliminate duplicates Z: 18 8.614 1.720 0.605 0.398 0.765 0.471 CB 1.101 15 residues pruned to eliminate duplicates Z: 11 9.968 1.815 0.443 0.782 0.700 0.700 CB 1.342 Z: 16 24.599 1.827 0.883 0.939 1.000 0.933 CB 1.283 16 residues pruned to eliminate duplicates Z: 9 16.189 1.938 0.950 0.891 0.875 0.875 CB 1.244 9 residues pruned to eliminate duplicates Z: 17 19.046 1.700 0.822 0.836 0.938 0.750 CB 1.227 18 residues pruned to eliminate duplicates Z: 17 25.964 1.867 0.858 0.874 0.938 0.688 CA 1.453 17 residues pruned to eliminate duplicates Z: 8 6.816 1.791 0.556 0.350 0.857 0.714 CB 1.268 8 residues pruned to eliminate duplicates Z: 8 11.582 1.600 0.635 0.689 1.000 0.714 CA 1.407 19 residues pruned to eliminate duplicates Z: 12 11.482 1.755 0.509 0.851 0.909 0.818 CB 1.065 Z: 17 11.737 1.585 0.575 0.733 0.938 0.750 CB 1.017 11 residues pruned to eliminate duplicates Z: 11 9.682 1.754 0.643 0.768 0.800 0.500 CB 1.047 11 residues pruned to eliminate duplicates Z: 15 8.875 1.725 0.513 0.396 0.857 0.643 CB 1.184 14 residues pruned to eliminate duplicates Z: 38 22.123 1.728 0.904 0.636 0.892 0.622 CB 1.091 39 residues pruned to eliminate duplicates Z: 19 25.990 1.705 1.074 0.943 1.000 0.833 CB 1.200 18 residues pruned to eliminate duplicates Z: 15 17.903 1.768 0.553 0.924 1.000 0.929 CB 1.224 15 residues pruned to eliminate duplicates Z: 10 6.430 1.606 0.690 0.275 0.889 0.444 CB 1.147 Z: 22 20.542 1.873 0.755 0.538 0.857 0.619 CA 1.532 22 residues pruned to eliminate duplicates Z: 6 4.797 1.410 0.358 0.718 0.800 0.600 CB 1.149 Z: 14 26.198 1.873 1.114 0.916 1.000 0.692 CA 1.296 21 residues pruned to eliminate duplicates Z: 6 9.572 1.771 0.675 0.713 1.000 0.400 CB 1.189 4 residues pruned to eliminate duplicates Z: 17 29.246 1.840 1.040 0.936 1.000 0.938 CA 1.356 17 residues pruned to eliminate duplicates Z: 8 5.925 1.660 1.081 0.404 0.714 0.429 CA 1.003 8 residues pruned to eliminate duplicates Z: 13 9.616 1.695 0.834 0.450 0.833 0.667 CB 1.128 Z: 8 6.725 1.757 0.176 0.521 1.000 0.714 CB 1.205 8 residues pruned to eliminate duplicates Z: 12 7.454 1.485 0.600 0.388 0.909 0.455 CB 1.172 Z: 10 11.054 1.805 0.417 0.850 0.778 0.778 CB 1.372 11 residues pruned to eliminate duplicates Z: 19 26.474 1.796 0.800 0.823 0.944 0.833 CA 1.545 19 residues pruned to eliminate duplicates Z: 8 9.083 1.606 0.460 0.898 1.000 1.000 CB 1.048 Z: 16 27.291 1.878 1.074 0.929 0.933 0.867 CB 1.357 17 residues pruned to eliminate duplicates Z: 43 29.107 1.909 0.837 0.547 0.976 0.786 CB 1.253 24 residues pruned to eliminate duplicates Z: 15 26.398 1.848 1.024 0.937 1.000 0.643 CA 1.313 15 residues pruned to eliminate duplicates Z: 15 21.400 1.873 0.610 0.907 1.000 0.714 CA 1.349 15 residues pruned to eliminate duplicates Z: 8 6.941 1.667 0.270 0.638 0.857 0.714 CB 1.271 Z: 8 7.526 1.545 0.417 0.703 1.000 0.571 CB 1.080 Z: 14 22.115 1.824 0.849 0.899 1.000 0.692 CB 1.300 15 residues pruned to eliminate duplicates Z: 15 20.770 1.870 0.566 0.927 1.000 0.929 CB 1.329 15 residues pruned to eliminate duplicates Z: 17 26.435 1.737 1.099 0.907 1.000 0.938 CB 1.288 17 residues pruned to eliminate duplicates Z: 15 16.350 1.778 0.341 0.922 1.000 0.929 CA 1.289 15 residues pruned to eliminate duplicates Z: 65 28.488 1.822 0.626 0.556 0.891 0.656 CB 1.278 60 residues pruned to eliminate duplicates Z: 7 2.911 1.639 -0.101 0.536 1.000 0.500 CB 0.779 Z: 13 16.566 1.902 0.354 0.893 1.000 0.917 CA 1.334 13 residues pruned to eliminate duplicates Z: 15 27.558 1.909 0.694 0.937 1.000 0.929 CB 1.585 15 residues pruned to eliminate duplicates Z: 15 22.767 2.134 0.271 0.879 1.000 1.000 CB 1.627 15 residues pruned to eliminate duplicates Z: 7 11.007 1.656 0.603 0.818 1.000 0.500 N 1.284 7 residues pruned to eliminate duplicates Z: 19 17.538 1.809 0.670 0.590 0.944 0.667 CB 1.330 18 residues pruned to eliminate duplicates Z: 18 24.116 1.788 0.838 0.938 1.000 0.941 CA 1.238 18 residues pruned to eliminate duplicates Z: 11 7.434 1.740 0.411 0.429 1.000 0.600 CB 1.031 18 residues pruned to eliminate duplicates Z: 10 9.188 1.591 0.719 0.849 1.000 0.667 CB 0.830 Z: 22 19.829 1.797 0.771 0.677 0.905 0.667 CB 1.276 22 residues pruned to eliminate duplicates Z: 18 20.389 1.705 0.872 0.815 0.941 0.706 CB 1.251 18 residues pruned to eliminate duplicates Z: 14 24.446 1.955 0.893 0.914 0.923 0.769 CA 1.404 14 residues pruned to eliminate duplicates Z: 14 19.476 1.936 0.628 0.901 1.000 0.769 CA 1.223 14 residues pruned to eliminate duplicates Z: 15 6.935 1.509 0.439 0.320 0.929 0.714 CB 1.121 Z: 18 18.409 1.665 0.852 0.778 0.941 0.471 CB 1.204 18 residues pruned to eliminate duplicates Z: 16 21.512 1.888 0.628 0.911 1.000 0.733 CA 1.281 16 residues pruned to eliminate duplicates Z: 10 14.764 1.973 0.405 0.893 1.000 1.000 CA 1.275 10 residues pruned to eliminate duplicates Z: 15 7.072 1.862 0.629 0.287 0.714 0.571 CB 1.108 17 residues pruned to eliminate duplicates Z: 6 8.097 1.733 0.215 0.681 1.000 0.600 CA 1.457 Z: 16 28.561 1.810 1.074 0.954 1.000 0.867 CB 1.352 16 residues pruned to eliminate duplicates Z: 17 18.528 1.966 0.533 0.797 0.938 0.750 CB 1.264 17 residues pruned to eliminate duplicates Z: 6 2.792 1.352 0.117 0.823 1.000 0.800 CB 0.625 Z: 15 18.576 1.881 0.632 0.862 0.929 0.929 CA 1.279 15 residues pruned to eliminate duplicates Z: 8 5.828 1.448 0.812 0.445 0.857 0.571 N 1.037 7 residues pruned to eliminate duplicates Z: 8 3.698 1.609 0.206 0.560 0.857 0.571 CB 0.793 8 residues pruned to eliminate duplicates Z: 18 23.317 1.888 0.799 0.799 0.941 0.706 CB 1.363 18 residues pruned to eliminate duplicates Z: 15 21.147 1.915 0.642 0.927 0.929 0.929 CB 1.356 15 residues pruned to eliminate duplicates Z: 7 11.340 1.504 0.768 0.783 1.000 0.833 N 1.358 Z: 21 21.076 1.861 0.583 0.750 1.000 0.750 CB 1.280 21 residues pruned to eliminate duplicates Z: 18 22.064 1.799 0.864 0.898 0.941 0.824 CB 1.213 18 residues pruned to eliminate duplicates Z: 22 21.655 1.827 0.898 0.683 0.905 0.571 CB 1.273 21 residues pruned to eliminate duplicates Z: 10 6.799 1.667 0.192 0.858 1.000 0.889 CB 0.840 10 residues pruned to eliminate duplicates Z: 11 11.305 1.728 0.708 0.468 1.000 0.800 CB 1.252 Z: 26 16.679 1.738 0.816 0.555 0.840 0.520 CB 1.193 17 residues pruned to eliminate duplicates Z: 14 23.197 1.869 1.088 0.905 0.923 0.692 CB 1.271 14 residues pruned to eliminate duplicates Z: 35 25.349 1.759 0.988 0.698 0.912 0.618 CB 1.138 35 residues pruned to eliminate duplicates Z: 19 16.387 1.679 0.536 0.635 1.000 0.722 CB 1.319 19 residues pruned to eliminate duplicates Z: 14 13.915 1.757 0.199 0.866 1.000 0.769 CB 1.340 12 residues pruned to eliminate duplicates Z: 9 10.128 1.623 0.602 0.835 0.875 0.875 CB 1.179 Z: 16 16.821 1.792 0.843 0.640 0.933 0.800 CB 1.236 7 residues pruned to eliminate duplicates Z: 17 20.433 1.920 0.665 0.792 0.938 0.750 CB 1.319 19 residues pruned to eliminate duplicates Z: 13 14.043 1.742 0.729 0.843 1.000 0.750 CA 1.002 13 residues pruned to eliminate duplicates Z: 16 20.262 1.839 0.968 0.935 0.933 0.800 CB 1.079 16 residues pruned to eliminate duplicates Z: 19 24.793 1.720 1.076 0.920 1.000 0.889 CB 1.153 19 residues pruned to eliminate duplicates Z: 17 24.243 1.734 1.180 0.908 1.000 0.812 CB 1.139 28 residues pruned to eliminate duplicates Z: 6 3.868 1.357 0.494 0.575 0.800 0.600 N 0.992 Z: 26 13.671 1.784 0.576 0.392 0.840 0.520 CB 1.298 26 residues pruned to eliminate duplicates Z: 18 24.398 1.820 0.894 0.919 0.941 0.882 CA 1.285 18 residues pruned to eliminate duplicates Z: 35 32.937 1.876 1.024 0.610 0.912 0.647 CB 1.470 34 residues pruned to eliminate duplicates Z: 11 20.608 1.772 1.322 0.865 1.000 0.600 CB 1.161 11 residues pruned to eliminate duplicates Z: 22 27.344 2.041 0.990 0.650 0.857 0.667 CB 1.490 22 residues pruned to eliminate duplicates Z: 20 24.495 1.906 0.809 0.748 0.947 0.579 CB 1.378 20 residues pruned to eliminate duplicates Z: 14 15.199 1.825 0.492 0.838 0.923 0.846 CA 1.254 14 residues pruned to eliminate duplicates Z: 6 10.740 1.600 1.213 0.871 1.000 0.600 N 0.989 6 residues pruned to eliminate duplicates Z: 16 24.300 1.882 0.545 0.943 1.000 1.000 CB 1.495 16 residues pruned to eliminate duplicates Z: 31 21.089 1.835 0.708 0.540 0.900 0.500 CB 1.312 31 residues pruned to eliminate duplicates Z: 25 22.301 1.733 0.637 0.769 1.000 0.625 CB 1.265 16 residues pruned to eliminate duplicates Z: 21 25.241 1.719 0.988 0.833 0.900 0.700 CA 1.376 21 residues pruned to eliminate duplicates Z: 6 6.593 1.481 0.445 0.865 1.000 0.800 CA 1.009 5 residues pruned to eliminate duplicates 7 1.379 1.332 0.282 0.530 0.667 0.500 CB 0.480 ? Z: 17 28.042 1.885 0.733 0.918 1.000 0.875 CA 1.514 17 residues pruned to eliminate duplicates Z: 8 3.649 1.709 0.261 0.368 0.714 0.429 CB 1.032 Z: 9 10.780 1.556 0.543 0.900 1.000 0.875 CB 1.134 Z: 6 6.053 1.569 0.406 0.614 1.000 0.600 O 1.101 Z: 8 4.548 1.690 0.468 0.371 0.857 0.714 CB 0.928 Z: 21 25.605 1.898 0.696 0.773 1.000 0.750 CB 1.396 20 residues pruned to eliminate duplicates Z: 12 9.613 1.634 0.533 0.487 1.000 0.727 CA 1.172 Z: 15 20.035 1.831 0.441 0.921 1.000 0.929 CB 1.428 15 residues pruned to eliminate duplicates Z: 17 15.791 1.664 0.756 0.709 0.875 0.625 CB 1.277 17 residues pruned to eliminate duplicates Z: 11 9.470 1.652 0.386 0.899 1.000 0.900 CB 0.935 10 residues pruned to eliminate duplicates Z: 16 25.514 1.862 0.975 0.926 1.000 0.733 CA 1.256 16 residues pruned to eliminate duplicates Z: 13 10.272 1.673 0.477 0.519 1.000 0.833 CB 1.177 13 residues pruned to eliminate duplicates Z: 17 9.454 1.581 0.530 0.350 0.812 0.562 N 1.415 Z: 21 12.166 1.824 0.741 0.361 0.900 0.600 CB 1.105 10 residues pruned to eliminate duplicates Z: 12 9.006 1.707 0.658 0.463 0.818 0.545 CB 1.219 Z: 6 6.346 1.792 0.117 0.660 1.000 1.000 CB 1.222 5 residues pruned to eliminate duplicates Z: 7 4.603 1.488 0.828 0.609 0.833 0.667 CB 0.748 Z: 13 19.047 1.879 0.747 0.885 0.917 0.833 CB 1.320 13 residues pruned to eliminate duplicates Z: 8 12.139 1.865 0.882 0.602 0.857 0.857 O 1.384 8 residues pruned to eliminate duplicates Z: 17 34.159 1.875 1.214 0.901 1.000 0.875 CA 1.468 17 residues pruned to eliminate duplicates Z: 10 13.906 1.864 0.981 0.564 0.889 0.778 CA 1.327 10 residues pruned to eliminate duplicates Z: 11 15.321 1.814 0.540 0.830 1.000 0.600 CB 1.303 10 residues pruned to eliminate duplicates Z: 17 24.674 1.762 0.843 0.912 1.000 0.938 CB 1.345 17 residues pruned to eliminate duplicates Z: 8 9.068 1.660 0.936 0.618 0.857 0.714 CA 1.113 8 residues pruned to eliminate duplicates Z: 19 19.759 1.913 0.412 0.749 0.944 0.778 CB 1.462 19 residues pruned to eliminate duplicates Z: 21 21.873 1.895 0.626 0.760 0.900 0.700 CA 1.400 21 residues pruned to eliminate duplicates Z: 18 18.574 1.623 0.708 0.910 1.000 0.765 CB 1.153 14 residues pruned to eliminate duplicates Z: 11 7.662 1.582 0.451 0.842 0.900 0.700 CB 0.874 11 residues pruned to eliminate duplicates Z: 16 20.283 1.856 0.877 0.869 0.933 0.733 CB 1.177 16 residues pruned to eliminate duplicates Z: 15 19.760 1.846 1.056 0.860 0.857 0.786 CB 1.193 15 residues pruned to eliminate duplicates Z: 7 3.936 1.549 0.648 0.553 0.667 0.667 CB 0.896 Z: 10 11.440 1.832 0.665 0.445 1.000 0.667 CB 1.323 Z: 18 28.159 1.905 0.827 0.912 0.941 0.824 CA 1.476 18 residues pruned to eliminate duplicates Z: 30 17.246 1.824 0.671 0.499 0.793 0.517 CB 1.326 30 residues pruned to eliminate duplicates Z: 17 20.314 1.790 0.839 0.906 0.938 0.875 CB 1.171 17 residues pruned to eliminate duplicates Z: 11 10.335 1.566 0.649 0.836 1.000 0.600 CB 0.947 Z: 10 7.015 1.630 0.404 0.794 0.889 0.778 CB 0.888 Z: 9 6.183 1.470 0.429 0.414 1.000 0.625 CB 1.138 Z: 17 11.395 1.667 0.727 0.488 0.750 0.562 CA 1.335 8 residues pruned to eliminate duplicates Z: 16 18.484 1.690 0.743 0.815 1.000 0.800 CA 1.232 16 residues pruned to eliminate duplicates Z: 16 15.628 1.740 0.369 0.928 1.000 0.933 CB 1.186 16 residues pruned to eliminate duplicates Z: 14 5.332 1.585 0.673 0.254 0.846 0.538 CB 0.874 Z: 11 13.274 1.810 0.315 0.880 1.000 1.000 CB 1.278 2 residues pruned to eliminate duplicates Z: 7 7.452 1.500 1.071 0.777 0.833 0.500 CB 0.920 Z: 6 2.466 1.416 0.518 0.293 0.600 0.600 N 1.078 Z: 7 11.050 1.633 0.599 0.901 1.000 0.667 N 1.232 7 residues pruned to eliminate duplicates Z: 18 16.779 1.834 0.677 0.588 0.882 0.647 CA 1.378 20 residues pruned to eliminate duplicates Z: 17 20.260 1.776 0.687 0.919 1.000 0.812 CA 1.192 16 residues pruned to eliminate duplicates Z: 32 15.143 1.763 0.538 0.448 0.839 0.613 CB 1.263 17 residues pruned to eliminate duplicates Z: 14 11.343 1.879 0.686 0.446 0.846 0.538 CB 1.241 14 residues pruned to eliminate duplicates Z: 18 22.834 1.666 0.913 0.907 1.000 0.882 CB 1.236 18 residues pruned to eliminate duplicates Z: 6 10.543 1.898 0.659 0.811 0.800 0.600 CA 1.428 6 residues pruned to eliminate duplicates Z: 6 6.618 1.681 0.029 0.757 1.000 0.600 CB 1.361 6 residues pruned to eliminate duplicates Z: 9 10.229 1.798 1.016 0.529 0.750 0.625 CA 1.292 9 residues pruned to eliminate duplicates Z: 19 8.466 1.612 0.414 0.345 0.889 0.556 CB 1.166 10 residues pruned to eliminate duplicates Z: 40 25.064 1.764 0.954 0.486 0.974 0.667 CB 1.212 40 residues pruned to eliminate duplicates Z: 13 19.005 1.985 0.490 0.934 1.000 1.000 CA 1.294 13 residues pruned to eliminate duplicates Z: 17 17.621 1.701 0.843 0.766 0.938 0.688 CA 1.184 17 residues pruned to eliminate duplicates Z: 14 24.961 1.869 1.009 0.942 1.000 0.923 CA 1.278 14 residues pruned to eliminate duplicates Z: 10 6.856 1.655 0.610 0.413 0.889 0.667 CB 1.057 Z: 20 15.008 1.832 0.331 0.774 0.842 0.737 CB 1.316 20 residues pruned to eliminate duplicates Z: 27 13.095 1.712 0.510 0.551 0.731 0.538 CA 1.293 27 residues pruned to eliminate duplicates Z: 7 5.408 1.671 0.461 0.888 1.000 1.000 CB 0.652 7 residues pruned to eliminate duplicates Z: 8 3.655 1.633 0.225 0.393 0.714 0.286 CB 1.083 8 residues pruned to eliminate duplicates Z: 19 22.411 1.868 0.843 0.718 1.000 0.667 CB 1.260 19 residues pruned to eliminate duplicates Z: 6 7.372 1.690 0.730 0.810 1.000 0.600 CB 0.861 Z: 9 2.855 1.333 0.504 0.243 0.625 0.375 O 1.084 Z: 16 17.755 1.744 0.893 0.912 0.933 0.600 CB 1.054 16 residues pruned to eliminate duplicates Z: 14 13.331 1.605 0.979 0.699 0.923 0.769 CA 1.052 10 residues pruned to eliminate duplicates Z: 7 11.588 1.668 1.006 0.671 1.000 0.833 CB 1.207 8 residues pruned to eliminate duplicates Z: 16 24.894 1.874 0.956 0.892 1.000 0.800 CB 1.260 17 residues pruned to eliminate duplicates Z: 24 11.205 1.831 0.798 0.300 0.826 0.652 CB 1.073 24 residues pruned to eliminate duplicates Z: 18 6.437 1.617 0.363 0.308 0.824 0.412 CB 1.065 18 residues pruned to eliminate duplicates Z: 15 6.568 1.515 0.378 0.405 0.857 0.429 CB 1.084 14 residues pruned to eliminate duplicates Z: 15 21.667 1.862 1.021 0.851 0.857 0.786 CA 1.329 15 residues pruned to eliminate duplicates Z: 6 6.015 1.633 0.300 0.593 0.800 0.600 CB 1.450 Z: 9 6.156 1.635 0.370 0.468 0.875 0.750 CB 1.147 Z: 9 18.013 1.954 0.768 0.905 1.000 1.000 CA 1.313 11 residues pruned to eliminate duplicates Z: 38 14.416 1.640 0.567 0.535 0.919 0.595 CB 0.970 37 residues pruned to eliminate duplicates Z: 16 20.670 1.857 0.656 0.908 1.000 0.933 CA 1.232 16 residues pruned to eliminate duplicates Z: 10 6.272 1.574 0.396 0.500 0.889 0.444 N 1.070 Z: 17 13.254 1.697 0.598 0.567 0.938 0.688 CA 1.222 18 residues pruned to eliminate duplicates Z: 10 5.279 1.436 0.477 0.446 0.778 0.333 CA 1.128 6 residues pruned to eliminate duplicates Z: 17 29.553 1.778 1.089 0.927 1.000 0.875 CA 1.393 17 residues pruned to eliminate duplicates Z: 15 18.901 1.935 0.436 0.846 0.929 0.857 CA 1.454 15 residues pruned to eliminate duplicates Z: 10 9.028 1.615 0.767 0.616 0.778 0.667 N 1.215 Z: 10 9.584 1.654 0.309 0.866 1.000 0.889 CB 1.080 10 residues pruned to eliminate duplicates Z: 15 20.835 1.856 0.739 0.901 1.000 0.643 CB 1.232 15 residues pruned to eliminate duplicates Z: 30 17.347 1.758 0.617 0.511 0.897 0.517 CB 1.251 29 residues pruned to eliminate duplicates Z: 15 5.889 1.497 0.548 0.219 0.786 0.429 CB 1.203 8 residues pruned to eliminate duplicates Z: 7 4.926 1.687 0.814 0.503 0.667 0.667 CB 0.983 Z: 7 4.081 1.531 0.338 0.366 0.833 0.333 CB 1.128 Z: 11 13.532 1.835 0.559 0.843 0.800 0.700 CB 1.392 11 residues pruned to eliminate duplicates Z: 17 20.439 1.768 0.707 0.849 0.938 0.750 CB 1.340 17 residues pruned to eliminate duplicates Z: 9 11.087 1.741 0.734 0.527 1.000 0.750 CB 1.264 17 residues pruned to eliminate duplicates Z: 9 13.972 1.862 0.628 0.661 1.000 0.875 CA 1.403 12 residues pruned to eliminate duplicates Z: 7 4.494 1.598 0.216 0.483 0.833 0.500 CA 1.153 7 residues pruned to eliminate duplicates Z: 25 20.648 1.816 0.518 0.608 1.000 0.667 CB 1.381 25 residues pruned to eliminate duplicates Z: 8 12.778 1.689 0.760 0.874 1.000 0.857 CB 1.183 8 residues pruned to eliminate duplicates Z: 14 17.404 1.807 0.699 0.883 1.000 0.385 CB 1.137 14 residues pruned to eliminate duplicates Z: 6 6.752 1.741 0.577 0.457 0.800 0.600 O 1.437 7 residues pruned to eliminate duplicates Z: 7 10.354 1.620 0.835 0.741 1.000 0.833 CA 1.145 6 residues pruned to eliminate duplicates Z: 35 20.276 1.808 0.555 0.586 0.912 0.765 CA 1.248 35 residues pruned to eliminate duplicates Z: 8 8.483 1.529 0.631 0.857 1.000 0.857 CB 0.948 8 residues pruned to eliminate duplicates Z: 14 20.557 1.873 0.760 0.931 1.000 0.923 CB 1.208 14 residues pruned to eliminate duplicates Z: 6 4.658 1.345 0.979 0.438 0.800 0.600 N 1.043 Z: 10 7.452 1.745 0.617 0.477 0.778 0.556 CB 1.159 10 residues pruned to eliminate duplicates Z: 14 16.681 1.827 0.546 0.922 1.000 0.923 CB 1.152 14 residues pruned to eliminate duplicates Z: 17 3.618 1.411 0.062 0.467 0.812 0.562 CB 0.769 Z: 8 4.766 1.480 0.397 0.584 0.857 0.714 CA 0.938 Z: 6 4.796 1.606 0.542 0.618 0.800 0.400 CB 0.969 6 residues pruned to eliminate duplicates Z: 34 10.792 1.643 0.598 0.362 0.848 0.485 CB 0.978 19 residues pruned to eliminate duplicates Z: 14 9.936 1.744 0.730 0.452 1.000 0.692 CB 0.959 14 residues pruned to eliminate duplicates Z: 15 27.782 1.855 1.151 0.941 1.000 0.714 CA 1.291 14 residues pruned to eliminate duplicates Z: 7 6.143 1.719 0.739 0.685 0.833 0.667 CB 0.850 7 residues pruned to eliminate duplicates Z: 30 13.155 1.681 0.464 0.425 0.862 0.586 CB 1.246 30 residues pruned to eliminate duplicates Z: 7 2.785 1.391 0.185 0.445 0.667 0.500 O 1.096 7 residues pruned to eliminate duplicates Z: 33 20.083 1.851 0.455 0.538 0.938 0.500 CB 1.355 33 residues pruned to eliminate duplicates Z: 14 15.135 1.817 0.299 0.920 1.000 1.000 CB 1.252 14 residues pruned to eliminate duplicates Z: 11 6.061 1.383 0.323 0.804 1.000 0.500 CB 0.804 Z: 19 24.313 1.875 0.761 0.808 1.000 0.722 CA 1.327 32 residues pruned to eliminate duplicates Z: 7 9.051 1.570 0.733 0.803 1.000 0.667 CB 1.042 7 residues pruned to eliminate duplicates Z: 35 19.012 1.854 0.540 0.532 0.882 0.676 CB 1.255 35 residues pruned to eliminate duplicates Z: 7 4.464 1.616 0.444 0.456 1.000 0.500 CB 0.817 7 residues pruned to eliminate duplicates 6 1.430 1.494 0.262 0.877 1.000 1.000 CB 0.246 ? Z: 49 23.628 1.793 0.600 0.542 0.875 0.667 CB 1.304 49 residues pruned to eliminate duplicates Z: 10 6.477 1.602 0.536 0.521 0.778 0.667 CB 1.105 Z: 8 9.528 1.592 0.518 0.894 1.000 0.571 CB 1.069 8 residues pruned to eliminate duplicates Z: 11 4.161 1.532 0.464 0.395 0.600 0.300 CB 1.092 11 residues pruned to eliminate duplicates Z: 18 26.893 1.726 1.151 0.902 0.941 0.765 CA 1.331 18 residues pruned to eliminate duplicates Z: 26 24.387 1.876 0.615 0.580 1.000 0.760 CB 1.490 26 residues pruned to eliminate duplicates Z: 8 7.728 1.713 0.528 0.688 0.857 0.571 CB 1.096 8 residues pruned to eliminate duplicates Z: 13 11.152 1.765 0.762 0.772 0.750 0.500 CB 1.085 13 residues pruned to eliminate duplicates Z: 8 7.825 1.555 0.765 0.508 1.000 0.714 CB 1.069 Z: 8 10.252 1.584 0.667 0.905 1.000 1.000 CB 1.045 8 residues pruned to eliminate duplicates Z: 15 8.569 1.674 0.563 0.511 0.786 0.429 CA 1.102 15 residues pruned to eliminate duplicates Z: 17 22.268 1.816 0.939 0.908 0.938 0.875 CB 1.198 17 residues pruned to eliminate duplicates Z: 9 4.772 1.548 0.489 0.390 0.750 0.125 O 1.097 Z: 23 8.147 1.762 0.555 0.414 0.864 0.500 CB 0.803 23 residues pruned to eliminate duplicates Z: 15 16.751 1.794 0.523 0.939 1.000 0.929 CB 1.139 15 residues pruned to eliminate duplicates Z: 16 19.970 1.731 0.922 0.913 1.000 0.600 CB 1.097 19 residues pruned to eliminate duplicates Z: 12 15.160 1.733 0.469 0.883 1.000 0.909 CB 1.298 11 residues pruned to eliminate duplicates Z: 15 19.352 1.888 0.380 0.920 0.929 0.929 CB 1.506 15 residues pruned to eliminate duplicates Z: 9 3.927 1.344 0.445 0.353 0.750 0.375 N 1.116 Z: 8 5.868 1.392 0.588 0.722 0.857 0.571 CA 0.958 Z: 19 16.674 1.847 0.462 0.792 0.889 0.722 CA 1.266 19 residues pruned to eliminate duplicates Z: 8 11.513 1.548 0.755 0.822 1.000 0.857 CB 1.212 8 residues pruned to eliminate duplicates Z: 6 4.297 1.452 0.464 0.575 0.800 0.400 N 1.052 Z: 12 14.008 1.682 0.521 0.806 1.000 0.727 CB 1.264 12 residues pruned to eliminate duplicates Z: 27 10.586 1.716 0.329 0.406 1.000 0.577 CB 1.005 20 residues pruned to eliminate duplicates Z: 9 11.380 1.697 0.292 0.889 1.000 0.750 CA 1.321 9 residues pruned to eliminate duplicates Z: 9 3.849 1.559 0.334 0.365 0.750 0.125 N 1.009 Z: 9 4.163 1.472 0.481 0.540 0.750 0.500 CB 0.865 7 residues pruned to eliminate duplicates Z: 10 9.176 1.621 0.489 0.876 1.000 0.556 CB 0.920 9 residues pruned to eliminate duplicates Z: 12 5.879 1.660 0.609 0.337 0.818 0.455 CB 0.969 4 residues pruned to eliminate duplicates Z: 7 9.329 1.676 1.206 0.844 0.667 0.500 N 1.150 7 residues pruned to eliminate duplicates Z: 15 22.018 1.925 0.442 0.941 1.000 1.000 CA 1.472 15 residues pruned to eliminate duplicates Z: 26 14.935 1.772 0.616 0.404 0.840 0.560 CB 1.375 26 residues pruned to eliminate duplicates Z: 16 14.798 1.679 0.430 0.921 1.000 0.933 CB 1.120 16 residues pruned to eliminate duplicates Z: 9 8.016 1.453 0.254 0.875 1.000 0.875 CA 1.131 Z: 24 16.846 1.824 0.535 0.439 1.000 0.478 CB 1.336 24 residues pruned to eliminate duplicates Z: 10 8.625 1.631 0.637 0.548 0.778 0.556 N 1.321 Z: 18 27.397 1.722 1.062 0.925 1.000 0.882 CA 1.314 18 residues pruned to eliminate duplicates Z: 7 5.778 1.619 0.104 0.471 1.000 0.500 CA 1.359 7 residues pruned to eliminate duplicates Z: 11 9.407 1.655 0.331 0.867 1.000 0.900 CB 0.988 Z: 39 20.704 1.845 0.685 0.565 0.895 0.579 CB 1.134 39 residues pruned to eliminate duplicates Z: 9 8.303 1.623 0.393 0.849 1.000 0.750 CB 0.962 9 residues pruned to eliminate duplicates Z: 32 16.165 1.749 0.518 0.464 0.935 0.516 CA 1.213 32 residues pruned to eliminate duplicates Z: 10 11.016 1.754 0.576 0.655 0.889 0.889 CA 1.293 10 residues pruned to eliminate duplicates Z: 17 10.094 1.683 0.607 0.493 0.875 0.500 CB 1.073 16 residues pruned to eliminate duplicates Z: 10 9.735 1.688 0.389 0.867 1.000 0.556 CB 1.013 10 residues pruned to eliminate duplicates Z: 10 20.111 1.938 0.824 0.904 1.000 0.889 CB 1.351 10 residues pruned to eliminate duplicates Z: 31 19.782 1.858 0.722 0.505 0.833 0.500 CB 1.349 31 residues pruned to eliminate duplicates Z: 16 19.412 1.721 1.236 0.897 0.933 0.467 CB 0.999 16 residues pruned to eliminate duplicates Z: 7 2.245 1.477 0.363 0.540 0.500 0.333 CB 0.876 Z: 15 24.169 1.875 0.814 0.931 1.000 0.929 CA 1.327 14 residues pruned to eliminate duplicates Z: 14 10.012 1.486 0.334 0.839 0.923 0.538 CB 1.133 12 residues pruned to eliminate duplicates Z: 26 21.678 1.788 0.717 0.700 0.880 0.560 CB 1.337 26 residues pruned to eliminate duplicates Z: 7 4.492 1.600 0.271 0.575 0.833 0.667 CB 1.006 Z: 15 20.051 1.848 0.584 0.938 1.000 0.929 CA 1.273 15 residues pruned to eliminate duplicates Z: 6 2.815 1.406 0.531 0.442 0.800 0.600 CB 0.777 Z: 6 7.219 1.582 0.986 0.584 1.000 0.800 CB 0.948 Z: 6 9.366 1.636 1.246 0.482 1.000 0.800 CA 1.161 5 residues pruned to eliminate duplicates Z: 21 15.048 1.799 0.323 0.788 0.950 0.700 CA 1.155 21 residues pruned to eliminate duplicates Z: 17 20.583 1.754 0.638 0.874 1.000 0.875 CA 1.304 17 residues pruned to eliminate duplicates Z: 12 12.176 1.798 0.842 0.545 1.000 0.727 CB 1.061 12 residues pruned to eliminate duplicates Z: 15 22.228 2.086 0.742 0.863 1.000 0.786 CB 1.200 15 residues pruned to eliminate duplicates Z: 14 23.212 1.972 0.808 0.872 1.000 0.462 CB 1.317 14 residues pruned to eliminate duplicates Z: 10 4.129 1.475 0.235 0.372 0.889 0.444 CB 0.975 Z: 18 19.027 1.753 0.624 0.910 1.000 0.765 CA 1.149 17 residues pruned to eliminate duplicates Z: 26 12.095 1.751 0.482 0.385 0.840 0.560 CB 1.253 26 residues pruned to eliminate duplicates Z: 6 4.920 1.578 0.222 0.559 1.000 0.600 CB 1.078 5 residues pruned to eliminate duplicates Z: 10 8.744 1.827 0.855 0.271 1.000 0.667 CB 1.116 10 residues pruned to eliminate duplicates Z: 6 7.002 1.712 0.723 0.547 0.800 0.400 CB 1.268 6 residues pruned to eliminate duplicates Z: 22 7.940 1.584 0.388 0.404 0.905 0.667 CB 0.964 19 residues pruned to eliminate duplicates Z: 6 9.117 1.713 0.661 0.855 1.000 1.000 CB 1.057 Z: 30 21.276 1.840 0.855 0.585 0.897 0.690 CB 1.190 32 residues pruned to eliminate duplicates Z: 11 2.713 1.408 0.372 0.406 0.800 0.500 CB 0.613 Z: 6 7.374 1.799 0.968 0.534 0.800 0.600 CA 1.126 5 residues pruned to eliminate duplicates Z: 6 5.719 1.653 0.488 0.771 1.000 0.800 CB 0.818 Z: 14 23.902 1.828 0.830 0.923 1.000 0.923 CB 1.393 14 residues pruned to eliminate duplicates Z: 15 17.515 1.828 0.600 0.936 1.000 0.929 CB 1.114 15 residues pruned to eliminate duplicates Z: 15 8.780 1.780 0.396 0.474 0.929 0.571 CB 1.044 15 residues pruned to eliminate duplicates Z: 12 18.910 1.777 0.885 0.860 0.909 0.909 CB 1.377 12 residues pruned to eliminate duplicates Z: 18 7.292 1.557 0.344 0.503 0.882 0.529 CB 0.955 6 residues pruned to eliminate duplicates Z: 8 3.314 1.480 0.383 0.486 0.714 0.571 CB 0.869 8 residues pruned to eliminate duplicates Z: 13 8.122 1.655 0.525 0.466 0.833 0.583 CA 1.153 13 residues pruned to eliminate duplicates 6 1.715 1.411 0.225 0.300 0.800 0.400 CB 0.694 ? Z: 18 26.009 1.905 0.790 0.926 0.941 0.941 CA 1.378 18 residues pruned to eliminate duplicates Z: 19 32.870 1.806 1.187 0.913 1.000 0.833 CA 1.388 19 residues pruned to eliminate duplicates Z: 10 11.311 1.706 0.956 0.777 0.778 0.556 CB 1.137 10 residues pruned to eliminate duplicates Z: 16 14.383 1.799 0.331 0.851 1.000 0.867 CA 1.148 16 residues pruned to eliminate duplicates Z: 36 17.031 1.774 0.646 0.487 0.886 0.486 CB 1.128 37 residues pruned to eliminate duplicates Z: 7 10.148 1.649 0.505 0.813 1.000 0.833 CB 1.272 7 residues pruned to eliminate duplicates Z: 14 25.597 1.832 1.174 0.932 1.000 0.769 CB 1.245 14 residues pruned to eliminate duplicates Z: 7 11.623 1.708 1.074 0.879 0.833 0.167 N 1.167 7 residues pruned to eliminate duplicates Z: 9 5.345 1.714 0.377 0.459 0.875 0.625 CB 0.954 9 residues pruned to eliminate duplicates Z: 10 3.778 1.587 0.327 0.424 0.556 0.333 CB 1.165 Z: 24 13.797 1.908 0.665 0.324 0.870 0.478 CB 1.264 24 residues pruned to eliminate duplicates Z: 10 8.370 1.533 0.316 0.877 1.000 0.889 CB 1.004 10 residues pruned to eliminate duplicates Z: 9 12.999 1.628 0.633 0.858 1.000 0.625 CB 1.273 9 residues pruned to eliminate duplicates Z: 18 19.970 1.927 0.651 0.629 0.941 0.706 CB 1.433 18 residues pruned to eliminate duplicates Z: 6 2.864 1.456 0.511 0.460 0.600 0.400 CA 1.010 Z: 23 16.566 1.801 0.810 0.454 0.955 0.545 CB 1.190 23 residues pruned to eliminate duplicates Z: 8 4.879 1.500 0.487 0.371 0.857 0.286 CB 1.107 6 residues pruned to eliminate duplicates Z: 35 22.693 1.715 0.799 0.668 0.912 0.647 CB 1.185 35 residues pruned to eliminate duplicates Z: 19 22.894 1.644 0.917 0.917 0.944 0.889 N 1.280 19 residues pruned to eliminate duplicates Z: 6 5.662 1.660 0.455 0.615 0.800 0.600 CB 1.176 6 residues pruned to eliminate duplicates Z: 17 16.896 1.900 0.455 0.819 1.000 0.812 CA 1.158 17 residues pruned to eliminate duplicates Z: 12 13.950 1.709 0.734 0.838 1.000 0.636 CB 1.061 11 residues pruned to eliminate duplicates Z: 6 3.319 1.590 -0.335 0.613 1.000 0.600 O 1.260 6 residues pruned to eliminate duplicates Z: 31 25.771 1.947 0.712 0.664 0.967 0.800 CB 1.255 31 residues pruned to eliminate duplicates Z: 11 9.881 1.731 0.410 0.568 1.000 1.000 CB 1.198 11 residues pruned to eliminate duplicates Z: 6 5.619 1.620 0.592 0.447 1.000 0.600 CB 1.029 Z: 12 4.504 1.663 0.433 0.241 0.818 0.455 CB 0.940 12 residues pruned to eliminate duplicates Z: 15 7.490 1.696 0.478 0.332 0.857 0.357 CB 1.120 15 residues pruned to eliminate duplicates Z: 32 20.191 1.763 0.605 0.635 0.903 0.645 CB 1.251 32 residues pruned to eliminate duplicates Z: 6 9.162 1.599 0.614 0.790 1.000 0.800 CA 1.231 5 residues pruned to eliminate duplicates Z: 11 6.683 1.688 0.511 0.320 0.900 0.400 CB 1.123 9 residues pruned to eliminate duplicates Z: 6 2.401 1.233 0.561 0.396 0.600 0.400 O 1.038 Z: 6 5.333 1.462 0.901 0.609 1.000 1.000 CB 0.774 5 residues pruned to eliminate duplicates Z: 6 7.966 1.852 0.402 0.393 1.000 0.600 O 1.536 6 residues pruned to eliminate duplicates Z: 9 6.955 1.594 0.291 0.784 1.000 0.875 CB 0.930 Z: 16 29.801 1.888 1.089 0.910 0.933 0.933 CB 1.483 16 residues pruned to eliminate duplicates Z: 10 12.870 1.952 0.620 0.819 0.889 0.778 CA 1.156 10 residues pruned to eliminate duplicates Z: 8 7.513 1.484 0.400 0.777 1.000 0.714 CA 1.071 8 residues pruned to eliminate duplicates Z: 10 6.307 1.579 0.849 0.333 0.889 0.667 CB 0.973 Z: 18 30.339 2.025 0.827 0.851 1.000 0.647 CB 1.472 18 residues pruned to eliminate duplicates Z: 15 14.088 1.699 0.369 0.882 0.929 0.714 CB 1.261 15 residues pruned to eliminate duplicates Z: 14 12.096 1.834 0.808 0.560 0.846 0.692 CB 1.128 14 residues pruned to eliminate duplicates Z: 19 15.054 1.646 0.962 0.721 0.889 0.611 CB 1.012 19 residues pruned to eliminate duplicates Z: 10 6.878 1.729 0.608 0.440 0.778 0.556 CB 1.128 Z: 14 8.932 1.734 0.843 0.315 0.846 0.462 CA 1.124 14 residues pruned to eliminate duplicates Z: 7 2.668 1.371 0.702 0.437 0.833 0.667 N 0.597 Z: 6 5.090 1.599 0.399 0.844 1.000 0.800 CB 0.758 6 residues pruned to eliminate duplicates Z: 19 7.746 1.403 0.913 0.470 0.778 0.500 CB 0.901 Z: 29 19.069 1.747 0.815 0.461 0.857 0.571 CB 1.380 52 residues pruned to eliminate duplicates Z: 8 8.260 1.697 0.678 0.898 1.000 0.714 CB 0.785 8 residues pruned to eliminate duplicates Z: 20 10.555 1.805 0.610 0.358 0.842 0.579 CB 1.153 20 residues pruned to eliminate duplicates Z: 8 5.802 1.379 0.554 0.568 0.857 0.714 CB 1.118 Z: 21 16.332 1.794 0.953 0.566 0.850 0.550 CB 1.151 21 residues pruned to eliminate duplicates Z: 15 5.805 1.611 0.157 0.436 0.929 0.500 CB 0.958 15 residues pruned to eliminate duplicates Z: 12 8.266 1.548 0.624 0.390 0.909 0.545 N 1.226 10 residues pruned to eliminate duplicates Z: 16 35.770 1.930 1.237 0.931 1.000 0.733 CA 1.495 16 residues pruned to eliminate duplicates 6 1.936 1.419 0.203 0.299 0.600 0.600 CB 1.058 ? Z: 8 8.357 1.620 0.591 0.560 0.857 0.857 N 1.350 8 residues pruned to eliminate duplicates Z: 17 30.872 1.792 1.043 0.949 1.000 1.000 CB 1.456 17 residues pruned to eliminate duplicates Z: 12 5.791 1.303 0.580 0.873 1.000 0.818 CB 0.618 11 residues pruned to eliminate duplicates Z: 32 21.237 1.799 0.778 0.519 0.903 0.548 CB 1.296 45 residues pruned to eliminate duplicates Z: 13 6.521 1.531 0.577 0.352 0.833 0.583 CB 1.098 14 residues pruned to eliminate duplicates Z: 7 7.525 1.804 0.385 0.505 0.833 0.500 N 1.468 7 residues pruned to eliminate duplicates Z: 13 10.246 1.748 0.514 0.827 1.000 0.667 CB 0.842 13 residues pruned to eliminate duplicates Z: 7 8.294 1.611 0.673 0.901 1.000 1.000 CB 0.896 9 residues pruned to eliminate duplicates Z: 25 19.965 1.813 0.732 0.608 0.917 0.625 CB 1.279 25 residues pruned to eliminate duplicates Z: 11 5.436 1.692 0.085 0.526 0.900 0.500 CB 1.014 11 residues pruned to eliminate duplicates Z: 31 29.765 1.952 0.807 0.678 1.000 0.833 CB 1.308 31 residues pruned to eliminate duplicates Z: 12 11.562 1.870 0.865 0.457 0.909 0.636 CA 1.148 12 residues pruned to eliminate duplicates Z: 11 8.523 1.767 0.677 0.403 0.800 0.700 CB 1.258 11 residues pruned to eliminate duplicates Z: 18 17.209 1.708 0.677 0.764 1.000 0.706 CB 1.152 18 residues pruned to eliminate duplicates Z: 9 8.836 1.542 0.479 0.840 0.875 0.625 CB 1.168 8 residues pruned to eliminate duplicates Z: 13 12.117 1.546 0.712 0.848 1.000 0.750 CB 0.980 11 residues pruned to eliminate duplicates Z: 17 18.340 1.815 0.541 0.861 1.000 0.875 CB 1.204 17 residues pruned to eliminate duplicates Z: 8 6.656 1.719 0.780 0.478 0.714 0.571 CB 1.177 8 residues pruned to eliminate duplicates Z: 17 30.513 1.786 1.165 0.932 1.000 0.812 CB 1.378 17 residues pruned to eliminate duplicates Z: 10 10.408 1.876 0.569 0.804 0.889 0.556 CA 1.017 10 residues pruned to eliminate duplicates Z: 19 11.726 1.766 0.582 0.442 0.889 0.611 CB 1.181 19 residues pruned to eliminate duplicates Z: 12 15.924 1.920 0.765 0.823 0.909 0.909 CA 1.178 12 residues pruned to eliminate duplicates Z: 17 23.080 1.850 0.730 0.904 1.000 0.875 CA 1.285 17 residues pruned to eliminate duplicates Z: 9 10.389 1.643 0.656 0.829 0.875 0.625 CB 1.161 9 residues pruned to eliminate duplicates Z: 15 6.674 1.421 0.241 0.444 0.929 0.500 N 1.155 Z: 7 9.973 1.616 1.123 0.800 1.000 0.500 CB 0.913 6 residues pruned to eliminate duplicates Z: 29 9.484 1.538 0.450 0.408 0.857 0.536 CB 1.032 38 residues pruned to eliminate duplicates Z: 23 10.330 1.716 0.409 0.501 0.864 0.682 CB 1.053 23 residues pruned to eliminate duplicates Z: 9 13.846 1.775 0.577 0.890 1.000 0.875 CA 1.258 9 residues pruned to eliminate duplicates Z: 12 11.621 1.726 0.691 0.844 0.909 0.727 CB 0.983 12 residues pruned to eliminate duplicates Z: 15 9.702 1.675 0.753 0.430 0.857 0.500 CB 1.107 16 residues pruned to eliminate duplicates Z: 11 8.653 1.807 0.419 0.416 0.800 0.700 CA 1.456 11 residues pruned to eliminate duplicates Z: 24 18.832 1.806 0.743 0.513 0.913 0.565 CA 1.348 48 residues pruned to eliminate duplicates Z: 6 3.565 1.074 0.622 0.810 0.800 0.400 O 0.874 Z: 7 8.417 1.554 0.679 0.547 1.000 0.667 CB 1.258 8 residues pruned to eliminate duplicates Z: 13 8.089 1.676 0.340 0.719 1.000 0.583 CB 0.853 13 residues pruned to eliminate duplicates Z: 24 12.313 1.723 0.528 0.508 0.913 0.565 CB 1.060 24 residues pruned to eliminate duplicates Z: 16 16.808 1.763 0.751 0.879 0.867 0.800 CB 1.177 16 residues pruned to eliminate duplicates Z: 7 6.528 1.294 0.522 0.708 1.000 0.667 N 1.120 Z: 9 8.926 1.474 0.377 0.841 1.000 0.625 CA 1.159 9 residues pruned to eliminate duplicates Z: 10 18.427 1.845 0.986 0.905 1.000 0.778 CB 1.193 9 residues pruned to eliminate duplicates Z: 6 2.173 1.236 0.227 0.582 0.800 0.600 CB 0.741 Z: 6 2.046 1.453 0.113 0.294 0.600 0.400 N 1.188 Z: 9 7.879 1.571 0.496 0.863 1.000 0.875 CB 0.870 8 residues pruned to eliminate duplicates Z: 9 6.398 1.519 0.633 0.854 1.000 0.625 CB 0.673 9 residues pruned to eliminate duplicates Z: 8 3.990 1.629 0.336 0.193 1.000 0.429 CB 1.000 Z: 34 22.039 1.803 0.954 0.602 0.909 0.545 CB 1.087 34 residues pruned to eliminate duplicates Z: 21 6.878 1.652 0.307 0.415 0.850 0.550 CB 0.916 25 residues pruned to eliminate duplicates Z: 21 16.370 1.826 0.739 0.593 0.950 0.800 CA 1.110 21 residues pruned to eliminate duplicates Z: 12 4.711 1.310 0.379 0.448 0.909 0.727 N 0.912 Z: 8 5.901 1.793 0.280 0.525 0.857 0.429 CB 1.107 8 residues pruned to eliminate duplicates Z: 8 2.985 1.521 0.604 0.249 0.714 0.286 CB 0.865 Z: 7 8.526 1.774 0.354 0.901 1.000 1.000 CB 1.034 Z: 13 11.160 1.491 0.637 0.893 1.000 1.000 CB 0.947 13 residues pruned to eliminate duplicates Z: 6 6.531 1.401 0.889 0.759 0.800 0.600 C 1.096 Z: 12 11.105 1.693 0.470 0.821 1.000 0.727 CB 1.018 12 residues pruned to eliminate duplicates Z: 9 7.300 1.653 0.283 0.598 0.875 0.750 CA 1.267 Z: 9 7.416 1.736 0.349 0.459 1.000 0.375 CB 1.168 9 residues pruned to eliminate duplicates Z: 9 9.263 1.533 0.373 0.920 1.000 1.000 CB 1.096 9 residues pruned to eliminate duplicates Z: 11 10.314 1.620 0.438 0.878 1.000 1.000 CB 1.016 11 residues pruned to eliminate duplicates Z: 21 9.099 1.631 0.308 0.580 0.950 0.700 CB 0.929 21 residues pruned to eliminate duplicates Z: 8 4.310 1.557 0.224 0.392 1.000 0.714 CB 0.959 Z: 12 18.040 1.797 1.258 0.894 0.909 0.364 CB 1.058 12 residues pruned to eliminate duplicates Z: 8 3.574 1.553 0.304 0.232 0.857 0.429 CB 1.063 Z: 17 8.100 1.633 0.349 0.369 0.938 0.500 CB 1.129 22 residues pruned to eliminate duplicates Z: 12 7.906 1.678 0.427 0.376 0.909 0.636 CB 1.250 12 residues pruned to eliminate duplicates Z: 7 5.550 1.601 0.293 0.681 0.833 0.667 N 1.112 Z: 6 2.076 1.634 -0.085 0.475 0.800 0.800 CB 0.797 Z: 7 5.227 1.682 0.445 0.526 0.667 0.333 CB 1.284 Z: 27 9.824 1.803 0.597 0.309 0.885 0.462 CB 0.935 27 residues pruned to eliminate duplicates Z: 9 11.490 1.659 0.435 0.885 1.000 0.875 CA 1.232 9 residues pruned to eliminate duplicates Z: 8 13.094 1.648 0.805 0.883 1.000 0.857 CB 1.203 8 residues pruned to eliminate duplicates Z: 9 5.612 1.585 0.250 0.443 0.875 0.750 CB 1.214 9 residues pruned to eliminate duplicates Z: 7 3.427 1.492 0.446 0.511 0.833 0.500 CB 0.770 Z: 26 10.959 1.739 0.512 0.323 0.880 0.640 CB 1.150 26 residues pruned to eliminate duplicates Z: 14 13.403 1.634 0.411 0.869 1.000 0.692 CA 1.178 14 residues pruned to eliminate duplicates Z: 12 10.342 1.673 0.389 0.861 1.000 0.909 CB 0.986 12 residues pruned to eliminate duplicates Z: 19 8.885 1.723 0.559 0.456 0.944 0.500 CB 0.863 19 residues pruned to eliminate duplicates Z: 16 19.634 1.876 0.636 0.915 1.000 1.000 CA 1.168 16 residues pruned to eliminate duplicates Z: 9 4.799 1.490 0.353 0.429 0.875 0.500 CB 1.035 9 residues pruned to eliminate duplicates Z: 11 11.398 1.605 0.631 0.907 1.000 0.500 CB 0.978 11 residues pruned to eliminate duplicates Z: 10 7.698 1.469 0.559 0.879 1.000 0.667 CB 0.812 11 residues pruned to eliminate duplicates Z: 8 3.159 1.540 0.657 0.422 0.714 0.571 CB 0.711 12 residues pruned to eliminate duplicates Z: 34 19.728 1.719 0.888 0.567 0.818 0.667 CB 1.211 34 residues pruned to eliminate duplicates Z: 9 2.628 1.431 0.161 0.318 0.625 0.500 N 1.093 Z: 19 13.251 1.640 0.571 0.643 0.944 0.556 CB 1.124 19 residues pruned to eliminate duplicates Z: 18 18.974 1.735 0.700 0.790 1.000 0.706 CA 1.209 18 residues pruned to eliminate duplicates 7 1.928 1.425 0.434 0.284 0.667 0.500 N 0.737 ? Z: 30 17.580 1.817 0.592 0.581 0.828 0.586 CB 1.261 30 residues pruned to eliminate duplicates Z: 11 10.007 1.820 0.548 0.766 1.000 0.600 CB 0.887 12 residues pruned to eliminate duplicates Z: 16 10.520 1.756 0.796 0.411 0.733 0.400 CB 1.289 16 residues pruned to eliminate duplicates Z: 15 12.296 1.818 0.358 0.662 0.857 0.714 CA 1.336 12 residues pruned to eliminate duplicates Z: 13 4.940 1.537 0.353 0.310 0.917 0.500 CB 0.924 13 residues pruned to eliminate duplicates Z: 7 6.987 1.455 0.518 0.603 1.000 0.667 N 1.170 9 residues pruned to eliminate duplicates Z: 9 4.998 1.360 0.554 0.488 0.875 0.625 CB 0.967 Z: 9 7.059 1.670 0.350 0.566 0.750 0.625 CA 1.384 9 residues pruned to eliminate duplicates Z: 20 19.230 1.885 0.810 0.732 0.947 0.632 CB 1.108 20 residues pruned to eliminate duplicates Z: 7 2.433 1.453 0.273 0.121 0.833 0.500 N 1.038 Z: 11 8.239 1.519 0.282 0.877 1.000 0.700 CB 0.971 11 residues pruned to eliminate duplicates Z: 9 10.555 1.563 0.495 0.875 1.000 0.750 CB 1.161 9 residues pruned to eliminate duplicates Z: 6 2.152 1.301 0.127 0.265 0.800 0.200 O 1.071 Z: 7 8.711 1.838 0.662 0.591 1.000 0.667 CB 1.067 7 residues pruned to eliminate duplicates Z: 6 3.810 1.494 0.652 0.299 1.000 0.600 N 0.863 Z: 10 6.533 1.475 0.573 0.493 0.889 0.556 CB 1.063 Z: 12 8.320 1.653 0.528 0.391 0.909 0.545 CB 1.227 12 residues pruned to eliminate duplicates Z: 13 6.866 1.625 0.502 0.555 0.667 0.417 CB 1.155 13 residues pruned to eliminate duplicates Z: 17 10.635 1.715 0.553 0.403 0.875 0.688 CB 1.263 16 residues pruned to eliminate duplicates Z: 15 11.445 1.825 0.655 0.389 1.000 0.571 CB 1.139 15 residues pruned to eliminate duplicates 7 1.101 1.386 0.107 0.245 0.667 0.333 CB 0.589 ? Z: 16 9.154 1.614 0.574 0.586 0.933 0.467 CB 0.918 18 residues pruned to eliminate duplicates Z: 24 22.151 1.776 0.964 0.686 0.826 0.478 CB 1.352 24 residues pruned to eliminate duplicates Z: 7 4.248 1.735 0.587 0.291 0.833 0.333 CB 0.955 Z: 13 5.688 1.427 0.355 0.527 0.750 0.500 CA 1.102 13 residues pruned to eliminate duplicates Z: 7 3.044 1.351 -0.027 0.561 1.000 0.500 CB 0.891 Z: 17 35.274 1.891 1.227 0.913 1.000 0.812 CA 1.482 17 residues pruned to eliminate duplicates Z: 11 4.854 1.534 0.771 0.274 0.600 0.300 CB 1.216 9 residues pruned to eliminate duplicates Z: 22 25.203 1.972 0.686 0.718 1.000 0.857 CB 1.358 22 residues pruned to eliminate duplicates Z: 11 15.056 1.792 0.672 0.866 1.000 0.800 CB 1.163 12 residues pruned to eliminate duplicates Z: 9 7.575 1.572 0.508 0.517 0.875 0.750 CA 1.269 Z: 7 7.817 1.559 0.754 0.784 0.833 0.833 CA 1.090 9 residues pruned to eliminate duplicates Z: 9 8.267 1.652 0.830 0.510 0.875 0.625 CB 1.094 9 residues pruned to eliminate duplicates Z: 9 2.515 1.493 0.462 0.219 0.625 0.375 CB 0.907 Z: 10 7.907 1.518 0.432 0.928 1.000 1.000 CB 0.849 9 residues pruned to eliminate duplicates Z: 14 11.301 1.728 0.697 0.630 0.923 0.692 CB 1.024 13 residues pruned to eliminate duplicates Z: 29 18.895 1.910 0.848 0.478 0.929 0.393 CB 1.115 32 residues pruned to eliminate duplicates Z: 12 13.610 1.787 0.442 0.841 1.000 0.545 CB 1.188 13 residues pruned to eliminate duplicates Z: 7 5.567 1.540 0.528 0.391 0.833 0.667 CB 1.301 7 residues pruned to eliminate duplicates Z: 6 3.604 1.441 1.081 0.299 0.600 0.400 CA 1.121 Z: 24 14.420 1.792 0.562 0.442 0.913 0.478 CB 1.248 24 residues pruned to eliminate duplicates Z: 8 5.526 1.550 0.452 0.833 1.000 0.857 CB 0.696 8 residues pruned to eliminate duplicates Z: 17 32.041 1.807 1.249 0.914 1.000 0.875 CA 1.394 17 residues pruned to eliminate duplicates Z: 7 8.523 1.623 0.772 0.659 0.833 0.500 CB 1.253 7 residues pruned to eliminate duplicates Z: 8 7.490 1.535 0.607 0.495 0.857 0.714 CA 1.345 Z: 10 8.497 1.612 0.583 0.569 0.889 0.778 CB 1.168 10 residues pruned to eliminate duplicates Z: 13 4.766 1.695 0.611 0.252 0.583 0.333 CB 1.149 13 residues pruned to eliminate duplicates Z: 12 3.402 1.514 0.008 0.331 0.818 0.545 CB 0.988 Z: 24 10.541 1.720 0.387 0.413 0.870 0.565 CB 1.161 24 residues pruned to eliminate duplicates Z: 20 7.304 1.676 0.443 0.433 0.737 0.474 CB 1.008 20 residues pruned to eliminate duplicates Z: 6 3.070 1.503 0.281 0.270 0.800 0.400 N 1.157 Z: 14 24.153 1.824 1.186 0.905 1.000 0.538 CB 1.196 14 residues pruned to eliminate duplicates Z: 6 6.890 1.677 0.838 0.784 1.000 0.800 CB 0.779 6 residues pruned to eliminate duplicates Z: 6 9.422 1.624 1.066 0.795 1.000 0.800 CA 0.970 6 residues pruned to eliminate duplicates Z: 9 2.361 1.395 0.258 0.360 0.750 0.500 CB 0.738 Z: 19 6.932 1.563 0.338 0.402 0.944 0.667 CB 0.917 19 residues pruned to eliminate duplicates Z: 9 3.348 1.440 0.211 0.394 0.750 0.625 O 1.013 Z: 8 8.164 1.678 0.357 0.793 0.857 0.571 CB 1.222 8 residues pruned to eliminate duplicates Z: 60 31.698 1.861 0.748 0.530 0.915 0.661 CB 1.345 61 residues pruned to eliminate duplicates Z: 8 9.535 1.604 0.870 0.581 1.000 0.857 CB 1.111 7 residues pruned to eliminate duplicates Z: 8 7.596 1.735 0.556 0.450 0.857 0.857 CA 1.305 8 residues pruned to eliminate duplicates Z: 9 2.157 1.242 0.323 0.211 0.750 0.375 N 0.871 Z: 7 3.671 1.389 0.462 0.281 0.833 0.333 C 1.133 7 residues pruned to eliminate duplicates Z: 12 7.295 1.489 0.403 0.458 1.000 0.727 CB 1.099 10 residues pruned to eliminate duplicates Z: 6 4.465 1.476 0.257 0.528 1.000 0.600 N 1.047 Z: 14 4.494 1.492 0.343 0.248 0.846 0.538 CB 0.982 Z: 10 7.197 1.697 0.754 0.512 1.000 0.556 CB 0.796 10 residues pruned to eliminate duplicates Z: 7 3.816 1.528 0.523 0.412 0.667 0.500 CB 1.101 Z: 7 10.437 1.690 0.539 0.884 1.000 0.667 CB 1.183 7 residues pruned to eliminate duplicates Z: 20 22.600 1.827 0.920 0.684 0.895 0.737 CB 1.395 20 residues pruned to eliminate duplicates Z: 17 18.683 1.658 0.693 0.882 0.938 0.750 CB 1.284 17 residues pruned to eliminate duplicates Z: 37 17.157 1.798 0.641 0.438 0.861 0.528 CB 1.200 23 residues pruned to eliminate duplicates Z: 6 3.351 1.406 0.221 0.554 1.000 0.800 CB 0.829 Z: 10 5.467 1.478 0.368 0.563 0.889 0.556 CB 0.954 Z: 6 5.012 1.479 0.213 0.621 1.000 0.800 CB 1.115 6 residues pruned to eliminate duplicates Z: 19 14.424 1.856 0.423 0.635 0.833 0.556 CB 1.361 19 residues pruned to eliminate duplicates Z: 8 3.918 1.429 0.362 0.399 1.000 0.571 CB 0.846 Z: 15 5.507 1.526 0.218 0.339 0.786 0.643 CB 1.201 15 residues pruned to eliminate duplicates Z: 33 18.531 1.832 0.565 0.578 0.844 0.594 CB 1.256 33 residues pruned to eliminate duplicates Z: 8 10.657 1.608 0.567 0.909 1.000 0.857 CB 1.134 Z: 9 9.185 1.868 0.399 0.568 0.875 0.875 CB 1.330 9 residues pruned to eliminate duplicates Z: 10 3.315 1.383 0.203 0.478 0.778 0.667 CB 0.873 9 residues pruned to eliminate duplicates Z: 26 12.789 1.640 0.680 0.483 0.840 0.520 CB 1.124 43 residues pruned to eliminate duplicates Z: 16 11.483 1.677 0.555 0.878 0.867 0.667 CB 0.952 16 residues pruned to eliminate duplicates Z: 7 3.144 1.390 0.925 0.465 0.667 0.500 N 0.745 5 residues pruned to eliminate duplicates Z: 9 7.366 1.684 0.462 0.483 0.875 0.375 CA 1.229 9 residues pruned to eliminate duplicates Z: 8 3.413 1.379 0.266 0.256 1.000 0.857 CB 0.978 Z: 6 6.420 1.776 0.629 0.460 1.000 0.600 CB 1.033 6 residues pruned to eliminate duplicates Z: 6 4.697 1.510 0.332 0.747 1.000 0.800 N 0.837 6 residues pruned to eliminate duplicates Z: 15 12.818 1.889 0.740 0.443 0.929 0.571 CB 1.190 15 residues pruned to eliminate duplicates 6 1.825 1.471 0.186 0.232 0.600 0.400 CB 1.066 ? 6 1.642 1.226 0.473 0.243 0.600 0.600 N 0.912 ? 6 1.298 1.322 -0.044 0.296 0.800 0.400 CB 0.721 ? Z: 19 28.000 1.698 1.319 0.929 1.000 0.778 CB 1.173 19 residues pruned to eliminate duplicates Z: 6 5.346 1.587 1.084 0.594 0.800 0.600 CB 0.826 Z: 11 13.419 1.740 0.722 0.870 1.000 0.800 CA 1.034 11 residues pruned to eliminate duplicates Z: 7 5.637 1.580 0.979 0.892 1.000 0.833 CB 0.528 7 residues pruned to eliminate duplicates Z: 7 3.610 1.514 0.180 0.468 0.833 0.500 CB 1.023 Z: 8 6.205 1.574 0.401 0.579 0.857 0.857 CB 1.150 Z: 6 2.160 1.484 0.294 0.474 0.800 0.800 CB 0.646 4 residues pruned to eliminate duplicates Z: 10 5.200 1.532 0.094 0.862 1.000 0.667 CB 0.759 10 residues pruned to eliminate duplicates Z: 11 8.482 1.597 0.450 0.900 1.000 0.900 CB 0.828 11 residues pruned to eliminate duplicates 7 1.601 1.432 -0.052 0.519 0.667 0.500 N 0.709 ? Z: 15 9.631 1.546 0.532 0.924 0.857 0.786 CB 0.891 15 residues pruned to eliminate duplicates Z: 19 25.855 1.900 0.779 0.822 1.000 0.611 CB 1.363 19 residues pruned to eliminate duplicates Z: 7 2.938 1.412 0.549 0.389 0.833 0.500 CB 0.741 Z: 8 8.321 1.555 0.539 0.886 1.000 0.571 CB 0.949 8 residues pruned to eliminate duplicates Z: 12 10.424 1.806 0.373 0.707 1.000 0.727 CA 1.050 12 residues pruned to eliminate duplicates Z: 18 6.970 1.612 0.183 0.571 1.000 0.529 CB 0.828 11 residues pruned to eliminate duplicates Z: 10 9.640 1.744 0.584 0.617 0.889 0.556 CA 1.171 10 residues pruned to eliminate duplicates Z: 10 5.371 1.521 0.336 0.854 0.889 0.889 CB 0.732 10 residues pruned to eliminate duplicates Z: 8 4.920 1.482 0.545 0.405 0.857 0.571 CB 1.047 5 residues pruned to eliminate duplicates Z: 10 2.998 1.342 0.536 0.308 0.778 0.556 CB 0.771 10 residues pruned to eliminate duplicates Z: 12 6.246 1.309 0.454 0.882 0.909 0.818 CB 0.788 12 residues pruned to eliminate duplicates Z: 8 2.785 1.660 0.478 0.424 0.571 0.429 CB 0.813 8 residues pruned to eliminate duplicates Z: 9 6.817 1.368 0.532 0.824 1.000 0.250 N 0.868 Z: 6 5.371 1.496 0.347 0.796 1.000 0.800 CB 0.920 6 residues pruned to eliminate duplicates Z: 21 23.426 1.788 0.839 0.770 0.950 0.900 CB 1.320 21 residues pruned to eliminate duplicates Z: 7 3.184 1.524 0.164 0.490 0.667 0.333 CA 1.110 976 residues left after pruning, divided into chains as follows: A: 6 B: 8 C: 9 D: 6 E: 8 F: 12 G: 10 H: 17 I: 92 J: 11 K: 7 L: 16 M: 13 N: 40 O: 21 P: 68 Q: 15 R: 7 S: 16 T: 72 U: 10 V: 21 W: 13 X: 15 Y: 9 Z: 14 Z: 17 Z: 11 Z: 17 Z: 12 Z: 6 Z: 33 Z: 6 Z: 48 Z: 7 Z: 10 Z: 139 Z: 26 Z: 10 Z: 16 Z: 37 Z: 11 Z: 6 Z: 28 CC for partial structure against native data = 34.01 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.388, Connect. = 0.699 for dens.mod. cycle 1 = 0.300, Contrast = 0.450, Connect. = 0.722 for dens.mod. cycle 2 = 0.300, Contrast = 0.545, Connect. = 0.753 for dens.mod. cycle 3 = 0.300, Contrast = 0.558, Connect. = 0.756 for dens.mod. cycle 4 = 0.300, Contrast = 0.572, Connect. = 0.759 for dens.mod. cycle 5 = 0.300, Contrast = 0.579, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.585, Connect. = 0.763 for dens.mod. cycle 7 = 0.300, Contrast = 0.589, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.591, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.593, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4426 peaks > 0.5 sigma used to seed fragment search Space for about 1487 unique residues taking solvent into account 1191 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 33.593 2.012 1.132 0.913 0.923 0.385 CB 1.665 B: 15 35.108 1.957 1.120 0.931 1.000 0.786 CB 1.581 14 residues pruned to eliminate duplicates C: 8 11.917 1.764 0.558 0.857 0.857 0.571 CB 1.409 D: 16 23.237 1.867 0.673 0.943 1.000 0.800 CB 1.331 E: 12 24.283 1.984 0.755 0.904 1.000 0.909 CA 1.497 F: 19 29.424 1.993 1.007 0.824 0.944 0.722 CB 1.387 G: 15 25.469 1.946 0.776 0.907 0.929 0.857 CB 1.507 15 residues pruned to eliminate duplicates H: 17 23.233 2.074 0.715 0.791 0.875 0.688 CB 1.446 17 residues pruned to eliminate duplicates I: 15 18.921 1.852 0.528 0.903 1.000 0.929 CA 1.274 J: 11 22.454 2.064 1.111 0.868 0.900 0.800 CB 1.324 K: 15 33.038 1.932 0.969 0.939 1.000 0.643 CB 1.612 15 residues pruned to eliminate duplicates L: 6 12.846 1.891 0.590 0.837 1.000 0.600 CA 1.428 7 residues pruned to eliminate duplicates M: 10 12.512 1.983 0.525 0.801 0.889 0.778 CB 1.193 N: 12 18.959 1.824 0.573 0.818 1.000 0.727 CA 1.512 O: 17 28.438 1.899 0.930 0.921 0.938 0.938 CA 1.456 P: 18 28.880 1.939 0.858 0.937 0.882 0.882 CA 1.534 Q: 16 32.404 1.946 1.079 0.922 0.933 0.800 CB 1.558 16 residues pruned to eliminate duplicates R: 15 18.127 1.917 0.437 0.872 0.929 0.786 CB 1.380 S: 16 16.099 1.790 0.788 0.904 0.867 0.533 CB 1.068 T: 15 19.389 2.055 0.355 0.841 0.929 0.714 CB 1.494 15 residues pruned to eliminate duplicates U: 20 27.722 2.046 0.724 0.789 0.895 0.842 CB 1.563 20 residues pruned to eliminate duplicates V: 18 13.148 1.731 0.241 0.769 1.000 0.765 CB 1.170 W: 13 17.833 1.946 0.827 0.830 0.833 0.667 CB 1.306 13 residues pruned to eliminate duplicates X: 18 30.027 1.914 0.714 0.908 1.000 0.882 CB 1.576 18 residues pruned to eliminate duplicates Y: 10 6.630 1.715 0.215 0.462 0.778 0.667 CB 1.418 Z: 7 11.441 1.860 0.402 0.655 1.000 0.667 CB 1.551 10 residues pruned to eliminate duplicates Z: 16 29.128 2.110 0.745 0.842 0.933 0.667 CB 1.631 16 residues pruned to eliminate duplicates Z: 17 16.595 1.833 0.383 0.870 1.000 0.812 CA 1.195 16 residues pruned to eliminate duplicates Z: 6 14.315 1.651 1.132 0.833 1.000 0.800 CA 1.364 Z: 18 36.074 1.966 1.040 0.940 0.941 0.882 CB 1.609 18 residues pruned to eliminate duplicates Z: 14 19.803 1.983 0.473 0.886 0.923 0.846 CA 1.470 Z: 15 18.185 1.796 0.679 0.884 0.857 0.714 CB 1.358 15 residues pruned to eliminate duplicates Z: 18 35.567 1.955 1.155 0.923 0.941 0.882 CA 1.529 18 residues pruned to eliminate duplicates Z: 15 29.176 1.981 0.746 0.926 1.000 1.000 CA 1.581 15 residues pruned to eliminate duplicates Z: 16 23.659 2.142 0.420 0.823 0.933 0.867 CA 1.627 16 residues pruned to eliminate duplicates Z: 15 26.490 1.961 0.798 0.907 1.000 0.643 CA 1.427 16 residues pruned to eliminate duplicates Z: 12 18.777 1.965 0.937 0.901 1.000 0.636 CB 1.062 12 residues pruned to eliminate duplicates Z: 17 28.313 1.828 0.960 0.927 1.000 0.750 CB 1.385 16 residues pruned to eliminate duplicates Z: 16 9.638 1.828 0.388 0.395 0.867 0.467 CB 1.265 Z: 16 25.867 1.993 0.634 0.924 1.000 0.867 CA 1.440 16 residues pruned to eliminate duplicates Z: 7 5.137 1.463 0.494 0.605 0.833 0.333 CB 1.042 Z: 13 20.385 1.957 0.773 0.864 1.000 0.667 CB 1.243 13 residues pruned to eliminate duplicates Z: 8 7.048 1.472 0.848 0.619 0.857 0.714 N 1.020 Z: 7 7.942 1.661 0.481 0.887 1.000 1.000 CB 0.951 7 residues pruned to eliminate duplicates Z: 20 14.607 1.634 0.566 0.720 0.895 0.526 CB 1.199 16 residues pruned to eliminate duplicates Z: 11 19.514 1.939 0.491 0.869 1.000 0.800 CB 1.559 Z: 7 2.132 1.855 -0.286 0.249 0.667 0.667 CB 1.316 Z: 12 16.472 1.833 0.550 0.805 1.000 0.727 CA 1.340 12 residues pruned to eliminate duplicates Z: 18 32.693 1.961 1.114 0.901 0.941 0.765 CB 1.451 18 residues pruned to eliminate duplicates Z: 16 25.192 1.906 0.841 0.918 1.000 0.867 CB 1.307 16 residues pruned to eliminate duplicates Z: 12 23.649 1.982 0.983 0.818 1.000 0.545 CB 1.377 11 residues pruned to eliminate duplicates Z: 16 6.800 1.567 0.242 0.790 0.867 0.600 CB 0.807 16 residues pruned to eliminate duplicates Z: 11 14.003 1.658 0.529 0.868 1.000 0.500 CA 1.277 11 residues pruned to eliminate duplicates Z: 19 23.321 2.026 0.543 0.806 0.889 0.778 CA 1.515 19 residues pruned to eliminate duplicates Z: 6 9.016 1.903 0.086 0.881 1.000 0.800 CA 1.413 6 residues pruned to eliminate duplicates Z: 15 20.473 1.901 0.508 0.883 1.000 0.857 CB 1.381 15 residues pruned to eliminate duplicates Z: 16 9.554 1.670 0.281 0.854 0.933 0.800 CB 0.913 16 residues pruned to eliminate duplicates Z: 15 30.209 1.937 0.803 0.920 1.000 0.643 CB 1.628 15 residues pruned to eliminate duplicates Z: 18 10.792 1.917 0.447 0.432 0.941 0.647 CB 1.077 Z: 17 19.798 1.903 0.500 0.877 0.875 0.812 CA 1.440 17 residues pruned to eliminate duplicates Z: 12 14.901 1.977 0.191 0.878 0.909 0.909 CA 1.523 12 residues pruned to eliminate duplicates Z: 7 13.879 1.921 0.677 0.892 1.000 1.000 CB 1.264 Z: 17 18.961 1.829 0.580 0.881 0.875 0.688 CB 1.358 17 residues pruned to eliminate duplicates Z: 20 16.447 1.777 0.519 0.728 0.947 0.684 CB 1.202 22 residues pruned to eliminate duplicates Z: 9 4.547 1.696 0.322 0.309 0.750 0.375 CB 1.182 Z: 13 11.197 1.696 0.531 0.871 0.917 0.667 CB 0.991 Z: 16 27.043 1.961 0.711 0.900 1.000 0.800 CA 1.487 16 residues pruned to eliminate duplicates Z: 15 14.754 1.882 0.631 0.512 0.857 0.429 CB 1.481 Z: 9 12.939 1.931 0.495 0.869 1.000 1.000 CB 1.158 9 residues pruned to eliminate duplicates Z: 21 14.878 1.779 0.508 0.713 0.950 0.650 CB 1.076 20 residues pruned to eliminate duplicates Z: 6 3.472 1.746 -0.108 0.381 0.800 0.600 N 1.415 Z: 13 16.324 1.819 0.678 0.720 1.000 0.833 CA 1.266 Z: 9 7.229 1.783 0.305 0.481 0.875 0.500 N 1.280 9 residues pruned to eliminate duplicates Z: 11 6.558 1.766 0.751 0.270 0.800 0.600 CB 1.089 11 residues pruned to eliminate duplicates Z: 15 17.079 1.895 0.314 0.917 1.000 0.929 CA 1.294 15 residues pruned to eliminate duplicates Z: 16 22.707 2.018 0.830 0.768 0.867 0.533 CA 1.445 12 residues pruned to eliminate duplicates Z: 16 27.703 2.101 0.662 0.885 1.000 0.733 CA 1.479 16 residues pruned to eliminate duplicates Z: 19 14.650 1.916 0.593 0.572 0.889 0.667 CB 1.187 8 residues pruned to eliminate duplicates Z: 12 13.384 1.628 0.832 0.881 1.000 0.727 CB 0.980 Z: 12 15.053 1.859 0.678 0.862 0.909 0.727 CA 1.175 13 residues pruned to eliminate duplicates Z: 7 12.252 1.859 0.540 0.859 1.000 0.667 CB 1.286 Z: 22 24.156 1.990 0.712 0.541 0.952 0.571 CA 1.561 13 residues pruned to eliminate duplicates Z: 18 19.998 1.932 0.648 0.689 1.000 0.765 CA 1.281 16 residues pruned to eliminate duplicates Z: 18 25.606 1.927 0.714 0.919 1.000 0.882 CA 1.325 18 residues pruned to eliminate duplicates Z: 11 8.679 1.773 0.672 0.581 0.900 0.800 CB 0.952 Z: 19 21.103 1.750 0.713 0.903 0.889 0.833 CA 1.331 19 residues pruned to eliminate duplicates Z: 15 20.048 1.927 0.796 0.866 0.929 0.786 CB 1.220 15 residues pruned to eliminate duplicates Z: 17 16.765 1.737 0.651 0.851 0.938 0.812 CB 1.154 10 residues pruned to eliminate duplicates Z: 8 8.916 1.683 0.517 0.816 1.000 0.714 CA 1.003 8 residues pruned to eliminate duplicates Z: 15 16.121 1.775 0.548 0.846 1.000 0.929 CB 1.165 15 residues pruned to eliminate duplicates Z: 16 14.233 1.961 0.773 0.350 0.867 0.333 CB 1.435 12 residues pruned to eliminate duplicates Z: 30 17.648 1.995 0.428 0.554 0.828 0.690 CA 1.319 17 residues pruned to eliminate duplicates Z: 12 12.410 1.843 0.389 0.540 1.000 0.909 CB 1.405 Z: 6 4.196 1.666 0.049 0.697 0.800 0.800 CB 1.122 Z: 17 29.082 2.080 0.659 0.806 1.000 0.875 CA 1.613 17 residues pruned to eliminate duplicates Z: 14 34.398 2.035 0.978 0.936 1.000 0.923 CA 1.650 14 residues pruned to eliminate duplicates Z: 15 20.270 1.936 0.412 0.929 0.929 0.929 CA 1.493 14 residues pruned to eliminate duplicates Z: 16 29.156 1.978 0.857 0.912 1.000 0.800 CA 1.451 Z: 15 25.502 1.937 0.783 0.929 1.000 0.786 CA 1.381 15 residues pruned to eliminate duplicates Z: 16 22.989 1.908 0.808 0.924 0.933 0.800 CA 1.295 8 residues pruned to eliminate duplicates Z: 8 11.064 1.732 0.519 0.911 1.000 1.000 CA 1.127 8 residues pruned to eliminate duplicates Z: 17 34.523 1.971 0.965 0.926 1.000 1.000 CA 1.562 17 residues pruned to eliminate duplicates Z: 18 19.525 1.994 0.366 0.847 0.941 0.824 CA 1.372 18 residues pruned to eliminate duplicates Z: 18 22.392 1.777 0.564 0.913 0.941 0.765 CA 1.470 18 residues pruned to eliminate duplicates Z: 15 15.965 1.820 0.277 0.860 0.929 0.857 CB 1.453 15 residues pruned to eliminate duplicates Z: 16 29.687 1.883 1.015 0.928 1.000 0.800 CB 1.415 16 residues pruned to eliminate duplicates Z: 18 20.029 1.742 0.681 0.930 0.941 0.941 CA 1.233 18 residues pruned to eliminate duplicates Z: 18 36.508 1.986 1.166 0.875 0.941 0.647 CB 1.590 31 residues pruned to eliminate duplicates Z: 16 30.608 1.993 0.768 0.934 1.000 1.000 CA 1.565 16 residues pruned to eliminate duplicates Z: 30 24.241 1.959 0.761 0.482 0.931 0.621 CB 1.426 32 residues pruned to eliminate duplicates Z: 17 25.649 2.046 0.505 0.830 1.000 0.812 CA 1.567 18 residues pruned to eliminate duplicates Z: 24 14.377 1.954 0.740 0.391 0.739 0.522 CB 1.339 6 residues pruned to eliminate duplicates Z: 11 15.789 1.976 0.519 0.828 0.900 0.900 CB 1.392 11 residues pruned to eliminate duplicates Z: 10 11.131 1.871 0.424 0.857 0.889 0.889 CB 1.155 9 residues pruned to eliminate duplicates Z: 13 6.642 1.632 0.274 0.339 0.833 0.750 CA 1.319 Z: 8 13.357 1.804 0.590 0.844 1.000 0.714 CB 1.309 Z: 40 28.589 1.877 0.818 0.584 0.897 0.590 CB 1.379 47 residues pruned to eliminate duplicates Z: 14 8.953 1.856 0.576 0.365 0.769 0.462 CB 1.276 14 residues pruned to eliminate duplicates Z: 21 23.398 1.901 0.556 0.823 0.950 0.650 CB 1.407 21 residues pruned to eliminate duplicates Z: 16 27.456 1.912 0.792 0.945 1.000 1.000 CA 1.431 16 residues pruned to eliminate duplicates Z: 12 5.811 1.616 0.428 0.280 0.909 0.455 CB 1.070 Z: 14 27.210 2.012 0.714 0.925 1.000 0.923 CA 1.536 15 residues pruned to eliminate duplicates Z: 6 11.825 1.935 0.756 0.751 0.800 0.400 CB 1.556 6 residues pruned to eliminate duplicates Z: 14 13.036 1.559 0.552 0.860 0.923 0.692 CB 1.190 Z: 16 23.592 1.922 0.597 0.916 1.000 0.800 CB 1.401 16 residues pruned to eliminate duplicates Z: 30 24.257 1.833 0.647 0.619 0.966 0.655 CB 1.380 22 residues pruned to eliminate duplicates Z: 17 30.146 1.931 0.889 0.927 0.938 0.812 CA 1.545 17 residues pruned to eliminate duplicates Z: 17 18.867 1.829 0.490 0.851 1.000 0.812 CB 1.281 17 residues pruned to eliminate duplicates Z: 15 27.237 1.975 0.772 0.917 1.000 0.857 CA 1.468 15 residues pruned to eliminate duplicates Z: 12 14.642 1.773 0.645 0.806 0.909 0.545 CB 1.275 12 residues pruned to eliminate duplicates Z: 14 25.184 2.003 0.651 0.932 1.000 1.000 CA 1.476 14 residues pruned to eliminate duplicates Z: 15 25.960 1.935 0.907 0.931 1.000 0.929 CA 1.313 15 residues pruned to eliminate duplicates Z: 9 12.152 1.775 0.293 0.907 1.000 0.875 CA 1.330 9 residues pruned to eliminate duplicates Z: 15 30.371 1.917 1.045 0.925 1.000 0.643 CB 1.453 15 residues pruned to eliminate duplicates Z: 18 35.086 1.942 1.219 0.890 0.941 0.706 CA 1.510 18 residues pruned to eliminate duplicates Z: 16 35.467 2.015 1.007 0.931 1.000 0.933 CA 1.583 16 residues pruned to eliminate duplicates Z: 33 19.834 1.904 0.529 0.506 0.812 0.500 CA 1.474 33 residues pruned to eliminate duplicates Z: 16 26.659 1.854 0.987 0.904 0.933 0.867 CB 1.425 15 residues pruned to eliminate duplicates Z: 15 12.047 1.910 0.513 0.407 0.929 0.571 CA 1.322 15 residues pruned to eliminate duplicates Z: 17 20.018 1.805 0.802 0.912 0.875 0.875 CB 1.246 17 residues pruned to eliminate duplicates Z: 19 7.488 1.599 0.375 0.266 0.889 0.611 CB 1.178 Z: 17 35.929 1.987 1.094 0.924 0.938 0.688 CA 1.617 17 residues pruned to eliminate duplicates Z: 8 8.218 1.726 0.405 0.607 0.857 0.857 N 1.350 Z: 9 12.417 1.929 0.480 0.895 0.875 0.875 CA 1.259 9 residues pruned to eliminate duplicates Z: 14 24.258 2.066 0.543 0.935 1.000 0.923 CB 1.471 15 residues pruned to eliminate duplicates Z: 16 23.570 1.801 0.677 0.912 1.000 1.000 CB 1.427 16 residues pruned to eliminate duplicates Z: 9 9.034 1.881 0.636 0.660 0.875 0.750 CB 1.023 9 residues pruned to eliminate duplicates Z: 7 8.334 1.602 0.424 0.866 1.000 0.500 CB 1.091 6 residues pruned to eliminate duplicates Z: 13 15.385 1.655 0.717 0.828 1.000 0.583 CB 1.177 13 residues pruned to eliminate duplicates Z: 32 20.601 1.978 0.476 0.460 0.903 0.613 CB 1.462 30 residues pruned to eliminate duplicates Z: 6 7.576 1.927 0.444 0.679 0.800 0.800 CB 1.291 Z: 10 9.342 1.750 0.647 0.338 0.889 0.556 N 1.451 10 residues pruned to eliminate duplicates Z: 16 26.425 1.926 0.647 0.941 1.000 1.000 CA 1.492 16 residues pruned to eliminate duplicates Z: 10 13.842 1.696 0.630 0.889 1.000 0.556 CA 1.202 Z: 16 23.836 1.866 0.694 0.925 0.933 0.867 CA 1.463 16 residues pruned to eliminate duplicates Z: 18 22.964 1.873 0.643 0.918 0.941 0.882 CA 1.356 18 residues pruned to eliminate duplicates Z: 17 29.881 1.898 0.928 0.853 1.000 0.688 CB 1.509 17 residues pruned to eliminate duplicates Z: 24 14.374 1.847 0.560 0.439 0.870 0.565 CB 1.273 17 residues pruned to eliminate duplicates Z: 20 9.989 1.873 0.295 0.366 0.947 0.684 CB 1.151 18 residues pruned to eliminate duplicates Z: 17 10.287 1.937 0.242 0.466 0.812 0.500 CB 1.363 23 residues pruned to eliminate duplicates Z: 15 21.814 1.909 0.875 0.862 1.000 0.643 CB 1.196 15 residues pruned to eliminate duplicates Z: 13 17.910 1.956 0.375 0.859 1.000 0.750 CA 1.414 13 residues pruned to eliminate duplicates Z: 6 9.174 1.731 0.088 0.845 1.000 1.000 C 1.619 6 residues pruned to eliminate duplicates Z: 11 18.894 1.960 0.558 0.823 1.000 0.700 CB 1.478 11 residues pruned to eliminate duplicates Z: 15 5.755 1.575 0.530 0.273 0.857 0.500 CB 0.963 Z: 18 34.156 1.961 0.897 0.892 1.000 0.765 CB 1.600 18 residues pruned to eliminate duplicates Z: 6 8.341 1.651 0.470 0.785 1.000 0.800 CB 1.196 Z: 29 14.478 1.853 0.521 0.368 0.857 0.607 CB 1.305 7 residues pruned to eliminate duplicates Z: 13 16.118 1.882 0.381 0.787 0.917 0.750 CA 1.518 13 residues pruned to eliminate duplicates Z: 13 22.218 2.014 0.560 0.871 1.000 0.667 CB 1.489 13 residues pruned to eliminate duplicates Z: 17 18.779 1.968 0.578 0.792 0.875 0.750 CA 1.338 17 residues pruned to eliminate duplicates Z: 11 13.342 1.836 0.349 0.842 0.900 0.800 CA 1.410 11 residues pruned to eliminate duplicates Z: 13 12.842 1.642 0.664 0.824 1.000 0.750 CB 1.025 13 residues pruned to eliminate duplicates Z: 12 22.847 1.905 1.050 0.880 1.000 0.909 CA 1.278 12 residues pruned to eliminate duplicates Z: 8 5.502 1.475 0.511 0.348 1.000 0.429 CB 1.101 Z: 16 7.624 1.751 0.406 0.415 0.733 0.600 CB 1.191 7 residues pruned to eliminate duplicates Z: 10 6.592 1.814 0.389 0.601 0.889 0.444 CB 0.891 Z: 18 28.143 1.994 0.743 0.865 0.941 0.647 CB 1.529 18 residues pruned to eliminate duplicates Z: 13 10.961 1.796 0.631 0.445 0.917 0.750 CA 1.246 19 residues pruned to eliminate duplicates Z: 9 9.738 1.710 0.385 0.609 1.000 0.750 CB 1.311 9 residues pruned to eliminate duplicates Z: 16 30.592 1.920 0.961 0.931 0.933 0.933 N 1.571 16 residues pruned to eliminate duplicates Z: 18 24.997 1.857 0.935 0.888 0.941 0.824 CA 1.291 18 residues pruned to eliminate duplicates Z: 7 5.620 1.642 0.443 0.314 1.000 0.667 CB 1.189 Z: 15 22.705 1.861 0.863 0.941 1.000 0.786 CB 1.215 18 residues pruned to eliminate duplicates Z: 16 28.486 1.964 0.965 0.929 1.000 0.867 CA 1.333 15 residues pruned to eliminate duplicates Z: 10 14.088 1.985 0.333 0.620 1.000 0.667 CB 1.585 Z: 10 9.727 1.731 0.600 0.553 0.778 0.556 CA 1.429 10 residues pruned to eliminate duplicates Z: 12 11.256 1.741 0.449 0.779 0.909 0.727 CB 1.157 13 residues pruned to eliminate duplicates Z: 6 10.243 1.901 0.430 0.629 1.000 0.600 CB 1.492 6 residues pruned to eliminate duplicates Z: 31 13.392 1.900 0.627 0.350 0.800 0.500 CB 1.163 32 residues pruned to eliminate duplicates Z: 11 5.748 1.911 0.589 0.321 0.600 0.500 CB 1.215 Z: 7 3.130 1.591 0.542 0.307 0.500 0.500 CB 1.291 Z: 17 16.755 1.943 0.351 0.815 0.875 0.688 CB 1.387 17 residues pruned to eliminate duplicates Z: 13 20.183 1.975 0.462 0.904 1.000 1.000 CA 1.437 13 residues pruned to eliminate duplicates Z: 67 29.796 1.933 0.549 0.515 0.909 0.667 CB 1.328 38 residues pruned to eliminate duplicates Z: 18 18.589 1.844 0.493 0.826 0.941 0.824 CA 1.312 17 residues pruned to eliminate duplicates Z: 9 12.764 1.753 0.564 0.843 1.000 0.625 CB 1.226 9 residues pruned to eliminate duplicates Z: 16 23.249 1.938 0.799 0.909 0.933 0.800 CA 1.309 16 residues pruned to eliminate duplicates Z: 9 16.658 1.715 1.040 0.882 1.000 0.875 CA 1.219 8 residues pruned to eliminate duplicates Z: 8 17.446 1.843 0.917 0.900 1.000 0.857 CB 1.333 8 residues pruned to eliminate duplicates Z: 6 7.089 1.640 0.708 0.465 1.000 0.600 N 1.173 Z: 14 12.798 1.751 0.567 0.760 1.000 0.615 CA 1.027 14 residues pruned to eliminate duplicates Z: 17 27.421 1.854 1.033 0.938 1.000 0.750 CA 1.265 17 residues pruned to eliminate duplicates Z: 62 25.929 1.940 0.563 0.485 0.902 0.623 CB 1.234 58 residues pruned to eliminate duplicates Z: 11 6.638 1.624 0.355 0.378 0.900 0.500 CB 1.207 7 residues pruned to eliminate duplicates Z: 11 22.290 1.963 0.784 0.829 1.000 0.700 CA 1.514 12 residues pruned to eliminate duplicates Z: 14 21.552 2.005 0.659 0.913 0.923 0.769 CA 1.377 14 residues pruned to eliminate duplicates Z: 11 11.259 1.851 0.336 0.566 1.000 0.900 CA 1.351 11 residues pruned to eliminate duplicates Z: 15 16.620 1.804 0.295 0.919 1.000 0.857 CB 1.340 14 residues pruned to eliminate duplicates Z: 14 19.100 1.844 0.566 0.914 1.000 1.000 CB 1.297 14 residues pruned to eliminate duplicates Z: 8 11.380 1.867 0.799 0.573 0.857 0.429 CB 1.393 6 residues pruned to eliminate duplicates Z: 9 5.503 1.635 0.307 0.357 1.000 0.500 CB 1.062 Z: 18 20.444 1.783 0.708 0.777 1.000 0.706 CB 1.275 18 residues pruned to eliminate duplicates Z: 7 11.221 1.695 0.501 0.864 1.000 0.833 CA 1.320 7 residues pruned to eliminate duplicates Z: 6 9.341 1.602 0.644 0.855 1.000 0.800 N 1.170 Z: 6 7.704 1.743 0.552 0.737 0.800 0.200 CB 1.287 Z: 12 10.029 1.852 0.354 0.425 1.000 0.727 CB 1.304 Z: 32 18.488 1.863 0.373 0.615 0.871 0.645 CB 1.337 32 residues pruned to eliminate duplicates Z: 6 3.377 1.698 -0.109 0.624 0.800 0.600 CB 1.110 Z: 52 24.135 1.918 0.725 0.423 0.863 0.647 CB 1.284 51 residues pruned to eliminate duplicates Z: 16 9.368 1.965 0.606 0.426 1.000 0.733 CB 0.828 16 residues pruned to eliminate duplicates Z: 12 6.398 1.735 0.356 0.412 0.727 0.636 CB 1.236 Z: 7 3.345 1.532 0.390 0.248 0.833 0.333 CB 1.028 Z: 16 18.515 1.796 0.443 0.921 1.000 0.867 CA 1.297 16 residues pruned to eliminate duplicates Z: 18 15.255 1.838 0.615 0.809 0.941 0.765 CA 1.012 18 residues pruned to eliminate duplicates Z: 6 4.556 1.335 0.502 0.576 1.000 0.400 O 0.944 Z: 12 14.509 1.961 0.379 0.836 0.909 0.727 CB 1.332 12 residues pruned to eliminate duplicates Z: 25 9.592 1.708 0.334 0.375 0.917 0.667 CB 1.071 12 residues pruned to eliminate duplicates Z: 11 10.834 1.876 0.406 0.788 1.000 0.600 CA 1.008 11 residues pruned to eliminate duplicates Z: 51 27.716 1.937 0.535 0.535 0.920 0.640 CB 1.384 50 residues pruned to eliminate duplicates Z: 14 18.995 2.002 0.684 0.901 1.000 0.692 CB 1.116 14 residues pruned to eliminate duplicates Z: 16 27.589 2.017 0.670 0.819 1.000 0.667 CB 1.603 16 residues pruned to eliminate duplicates Z: 17 20.134 1.791 0.621 0.921 0.938 0.875 CB 1.301 17 residues pruned to eliminate duplicates Z: 17 30.839 2.013 0.834 0.951 1.000 0.938 CA 1.439 17 residues pruned to eliminate duplicates Z: 16 23.418 1.879 0.900 0.887 0.933 0.867 CB 1.308 15 residues pruned to eliminate duplicates Z: 16 7.956 1.617 0.071 0.645 0.933 0.600 CB 1.110 16 residues pruned to eliminate duplicates Z: 11 11.841 1.828 0.349 0.851 1.000 0.800 CB 1.124 Z: 6 7.207 1.791 0.535 0.674 0.800 0.800 CA 1.248 6 residues pruned to eliminate duplicates Z: 14 9.941 1.805 0.428 0.354 1.000 0.615 CB 1.253 14 residues pruned to eliminate duplicates Z: 6 6.529 1.624 0.401 0.590 1.000 0.600 CA 1.178 Z: 12 19.617 1.899 0.762 0.903 0.909 0.727 CA 1.386 12 residues pruned to eliminate duplicates Z: 8 14.091 2.059 0.485 0.701 1.000 0.857 CB 1.450 8 residues pruned to eliminate duplicates Z: 7 4.652 1.802 0.102 0.395 0.833 0.500 CA 1.282 7 residues pruned to eliminate duplicates Z: 18 14.527 1.828 0.386 0.860 1.000 0.765 CA 1.022 18 residues pruned to eliminate duplicates Z: 11 5.847 1.864 0.294 0.403 0.700 0.600 CB 1.213 11 residues pruned to eliminate duplicates Z: 18 27.353 1.994 0.987 0.791 0.824 0.824 CA 1.574 18 residues pruned to eliminate duplicates Z: 39 25.590 2.005 0.695 0.557 0.921 0.658 CB 1.254 33 residues pruned to eliminate duplicates Z: 10 15.854 1.869 0.763 0.716 1.000 0.889 CA 1.319 9 residues pruned to eliminate duplicates Z: 35 21.151 1.820 0.667 0.674 0.882 0.471 CB 1.154 35 residues pruned to eliminate duplicates Z: 16 20.988 1.774 0.828 0.869 1.000 0.867 CA 1.221 16 residues pruned to eliminate duplicates Z: 16 23.371 1.872 0.666 0.926 0.933 0.933 CA 1.454 16 residues pruned to eliminate duplicates Z: 35 9.886 1.598 0.477 0.367 0.912 0.559 CB 0.909 17 residues pruned to eliminate duplicates Z: 16 31.237 1.985 0.876 0.924 1.000 0.933 CA 1.521 16 residues pruned to eliminate duplicates Z: 9 4.814 1.702 0.196 0.415 0.875 0.625 CB 1.044 Z: 15 14.899 1.831 0.517 0.886 0.929 0.571 CB 1.114 15 residues pruned to eliminate duplicates Z: 42 29.363 1.957 0.647 0.560 0.951 0.683 CA 1.411 48 residues pruned to eliminate duplicates Z: 12 18.895 1.993 0.975 0.740 0.818 0.636 CA 1.426 12 residues pruned to eliminate duplicates Z: 14 18.389 1.933 0.372 0.930 1.000 1.000 CA 1.345 14 residues pruned to eliminate duplicates Z: 10 16.829 1.908 0.608 0.811 0.889 0.667 N 1.568 10 residues pruned to eliminate duplicates Z: 11 5.861 1.592 0.627 0.392 0.700 0.400 N 1.146 Z: 9 9.208 1.689 0.480 0.594 0.875 0.500 CB 1.361 9 residues pruned to eliminate duplicates Z: 16 22.271 1.776 0.712 0.871 1.000 0.667 CB 1.380 16 residues pruned to eliminate duplicates Z: 8 7.699 1.696 0.158 0.850 1.000 0.857 CB 1.097 8 residues pruned to eliminate duplicates Z: 32 18.236 1.777 0.655 0.451 0.871 0.613 CB 1.345 32 residues pruned to eliminate duplicates Z: 14 17.607 1.996 0.528 0.919 0.923 0.846 CB 1.223 14 residues pruned to eliminate duplicates Z: 15 19.787 1.916 0.531 0.886 1.000 1.000 CA 1.301 15 residues pruned to eliminate duplicates Z: 14 16.173 1.873 0.505 0.883 0.846 0.769 CA 1.360 14 residues pruned to eliminate duplicates Z: 31 16.472 1.864 0.484 0.441 0.933 0.700 CB 1.239 31 residues pruned to eliminate duplicates Z: 11 12.600 1.876 0.431 0.516 1.000 0.600 CB 1.461 11 residues pruned to eliminate duplicates Z: 8 2.648 1.474 0.544 0.352 0.714 0.429 N 0.722 Z: 16 21.042 1.873 0.842 0.919 0.933 0.933 CA 1.189 16 residues pruned to eliminate duplicates Z: 9 5.357 1.609 0.404 0.416 1.000 0.500 CB 0.915 Z: 15 13.318 1.664 0.758 0.876 0.929 0.500 CB 0.952 12 residues pruned to eliminate duplicates Z: 18 21.286 1.743 0.769 0.796 1.000 0.647 CB 1.292 18 residues pruned to eliminate duplicates Z: 16 21.641 1.899 0.782 0.876 0.933 0.800 CB 1.286 16 residues pruned to eliminate duplicates Z: 7 6.907 1.677 0.634 0.414 0.833 0.833 O 1.351 Z: 28 31.276 1.838 0.941 0.666 0.963 0.704 CA 1.503 18 residues pruned to eliminate duplicates Z: 8 6.043 1.558 0.519 0.441 0.857 0.571 CB 1.197 8 residues pruned to eliminate duplicates Z: 11 5.099 1.618 0.549 0.273 0.800 0.600 CB 1.041 11 residues pruned to eliminate duplicates Z: 27 21.632 1.965 0.589 0.513 0.923 0.577 CB 1.453 27 residues pruned to eliminate duplicates Z: 14 16.939 1.816 1.023 0.827 0.923 0.615 CB 1.044 14 residues pruned to eliminate duplicates Z: 7 11.649 1.903 0.592 0.892 1.000 0.500 CB 1.127 7 residues pruned to eliminate duplicates Z: 14 6.343 1.975 0.598 0.277 0.769 0.538 CB 0.932 14 residues pruned to eliminate duplicates Z: 9 18.723 1.750 1.030 0.915 1.000 0.750 CA 1.317 9 residues pruned to eliminate duplicates Z: 15 20.675 1.982 0.546 0.906 0.929 0.786 CA 1.381 15 residues pruned to eliminate duplicates Z: 8 4.637 1.609 0.333 0.416 0.714 0.429 N 1.249 Z: 7 13.990 1.686 0.994 0.891 1.000 0.667 CB 1.221 6 residues pruned to eliminate duplicates Z: 13 11.579 1.826 0.324 0.718 1.000 0.500 CA 1.134 13 residues pruned to eliminate duplicates Z: 15 20.260 1.964 0.488 0.924 1.000 1.000 CA 1.301 15 residues pruned to eliminate duplicates Z: 7 10.505 2.053 0.056 0.895 1.000 0.833 CA 1.418 7 residues pruned to eliminate duplicates Z: 15 22.998 1.873 0.758 0.899 0.929 0.714 CB 1.438 15 residues pruned to eliminate duplicates Z: 17 18.758 1.828 0.610 0.780 0.875 0.750 CA 1.423 17 residues pruned to eliminate duplicates Z: 16 20.984 1.889 0.663 0.929 0.933 0.933 CB 1.293 16 residues pruned to eliminate duplicates Z: 16 9.764 1.642 0.412 0.457 0.933 0.333 CB 1.217 6 residues pruned to eliminate duplicates Z: 16 31.005 1.910 1.079 0.934 1.000 0.467 CA 1.406 16 residues pruned to eliminate duplicates Z: 22 16.894 1.995 0.622 0.473 0.857 0.476 CB 1.366 22 residues pruned to eliminate duplicates Z: 16 20.539 1.901 0.752 0.884 0.933 0.733 CA 1.233 16 residues pruned to eliminate duplicates Z: 6 7.019 1.443 0.468 0.789 1.000 0.800 N 1.149 Z: 38 15.995 1.837 0.603 0.371 0.838 0.541 CB 1.224 34 residues pruned to eliminate duplicates Z: 7 8.772 1.529 0.519 0.876 1.000 0.833 CA 1.121 7 residues pruned to eliminate duplicates Z: 8 12.348 1.911 0.318 0.922 1.000 1.000 CA 1.303 8 residues pruned to eliminate duplicates Z: 15 14.867 1.780 0.350 0.882 1.000 0.857 CA 1.197 15 residues pruned to eliminate duplicates Z: 9 9.881 1.935 0.164 0.894 1.000 0.750 CB 1.112 10 residues pruned to eliminate duplicates Z: 11 11.110 1.914 0.338 0.880 1.000 0.900 CA 0.994 11 residues pruned to eliminate duplicates Z: 6 3.790 1.696 0.505 0.782 0.800 0.400 CB 0.647 4 residues pruned to eliminate duplicates Z: 30 14.411 1.748 0.570 0.433 0.862 0.483 CB 1.213 30 residues pruned to eliminate duplicates Z: 11 6.799 1.676 0.340 0.350 0.900 0.500 CB 1.251 Z: 12 13.561 1.786 0.656 0.546 1.000 0.909 CA 1.321 12 residues pruned to eliminate duplicates Z: 7 8.638 1.518 0.820 0.845 1.000 1.000 CA 0.949 7 residues pruned to eliminate duplicates Z: 6 5.922 1.570 0.260 0.741 1.000 0.800 CB 1.079 Z: 16 29.354 1.900 1.037 0.932 1.000 0.800 CB 1.368 16 residues pruned to eliminate duplicates Z: 6 11.300 1.895 0.335 0.788 1.000 0.800 CB 1.552 6 residues pruned to eliminate duplicates Z: 7 5.476 1.713 0.699 0.630 0.833 0.667 CB 0.816 Z: 10 9.541 1.679 0.488 0.538 1.000 0.778 CB 1.227 10 residues pruned to eliminate duplicates Z: 11 12.527 1.760 0.648 0.487 1.000 0.900 CB 1.384 9 residues pruned to eliminate duplicates Z: 16 20.841 1.883 0.657 0.863 0.933 0.800 CB 1.355 16 residues pruned to eliminate duplicates Z: 11 6.337 1.601 0.472 0.331 0.900 0.500 CB 1.137 11 residues pruned to eliminate duplicates Z: 18 12.275 1.899 0.335 0.621 0.882 0.765 CB 1.188 30 residues pruned to eliminate duplicates Z: 8 11.773 1.737 0.660 0.816 0.857 0.857 CA 1.368 8 residues pruned to eliminate duplicates Z: 7 8.397 1.724 0.020 0.849 1.000 1.000 CA 1.445 7 residues pruned to eliminate duplicates Z: 8 10.976 1.769 0.919 0.676 0.857 0.714 CB 1.213 Z: 13 15.925 1.712 0.425 0.869 1.000 0.833 CA 1.377 13 residues pruned to eliminate duplicates Z: 11 17.141 1.842 0.544 0.877 1.000 0.700 CA 1.385 11 residues pruned to eliminate duplicates Z: 9 16.044 1.699 1.107 0.882 0.875 0.625 CA 1.310 9 residues pruned to eliminate duplicates Z: 7 11.671 1.654 0.774 0.821 1.000 0.667 CB 1.229 7 residues pruned to eliminate duplicates Z: 19 34.068 1.874 1.065 0.916 1.000 0.889 CB 1.466 19 residues pruned to eliminate duplicates Z: 9 12.609 1.697 0.523 0.862 1.000 1.000 CB 1.267 9 residues pruned to eliminate duplicates Z: 8 8.361 1.723 0.516 0.640 1.000 0.714 CB 1.061 9 residues pruned to eliminate duplicates Z: 6 5.383 1.904 0.447 0.308 0.800 0.600 CB 1.352 6 residues pruned to eliminate duplicates Z: 21 22.415 1.977 0.767 0.485 0.950 0.550 CA 1.534 22 residues pruned to eliminate duplicates Z: 10 6.616 1.533 0.551 0.314 0.889 0.556 CA 1.281 Z: 6 4.874 1.264 0.438 0.764 1.000 0.800 CA 0.948 Z: 15 15.900 1.887 0.231 0.932 1.000 1.000 CA 1.278 15 residues pruned to eliminate duplicates Z: 9 7.392 1.901 0.246 0.529 0.875 0.500 CB 1.225 9 residues pruned to eliminate duplicates Z: 16 22.011 1.974 0.426 0.927 1.000 0.867 CA 1.415 16 residues pruned to eliminate duplicates Z: 6 3.840 1.657 0.383 0.487 0.800 0.800 CB 0.949 6 residues pruned to eliminate duplicates Z: 15 13.578 1.872 0.086 0.911 1.000 0.857 CA 1.265 15 residues pruned to eliminate duplicates Z: 18 22.497 1.731 0.648 0.884 1.000 0.824 CB 1.382 18 residues pruned to eliminate duplicates Z: 8 7.129 1.447 0.695 0.797 0.857 0.429 CB 0.988 8 residues pruned to eliminate duplicates Z: 9 4.198 1.683 0.402 0.359 0.875 0.625 CB 0.837 9 residues pruned to eliminate duplicates Z: 17 22.002 1.915 0.646 0.908 1.000 0.875 CA 1.239 16 residues pruned to eliminate duplicates Z: 48 16.093 1.791 0.488 0.419 0.851 0.574 CB 1.127 41 residues pruned to eliminate duplicates Z: 13 19.466 1.934 0.426 0.895 1.000 0.833 CA 1.460 13 residues pruned to eliminate duplicates Z: 14 4.122 1.534 0.047 0.315 0.769 0.538 CB 1.134 14 residues pruned to eliminate duplicates Z: 15 22.866 1.976 0.628 0.892 0.929 0.929 CA 1.469 15 residues pruned to eliminate duplicates 6 1.618 1.247 0.467 0.681 0.400 0.400 CA 0.837 ? Z: 11 4.888 1.729 0.234 0.422 0.900 0.600 CB 0.873 11 residues pruned to eliminate duplicates Z: 8 12.072 1.788 0.339 0.902 1.000 0.857 CB 1.359 8 residues pruned to eliminate duplicates Z: 17 16.805 1.773 0.486 0.845 1.000 0.625 CB 1.186 17 residues pruned to eliminate duplicates Z: 12 8.217 1.794 0.418 0.300 0.909 0.545 N 1.339 12 residues pruned to eliminate duplicates Z: 16 19.942 1.792 0.629 0.910 0.933 0.867 CA 1.341 16 residues pruned to eliminate duplicates Z: 9 9.948 1.690 0.434 0.817 1.000 0.625 CB 1.102 Z: 8 9.750 1.623 0.441 0.840 1.000 1.000 CB 1.176 Z: 53 24.349 1.910 0.572 0.528 0.923 0.654 CB 1.186 54 residues pruned to eliminate duplicates Z: 16 17.267 1.753 0.487 0.778 1.000 0.600 CB 1.339 16 residues pruned to eliminate duplicates Z: 18 19.755 1.859 0.549 0.797 1.000 0.824 CA 1.283 18 residues pruned to eliminate duplicates Z: 16 24.229 1.943 0.680 0.915 1.000 0.733 CA 1.355 16 residues pruned to eliminate duplicates Z: 15 9.283 1.809 0.593 0.451 0.857 0.571 CB 1.056 15 residues pruned to eliminate duplicates Z: 6 6.969 1.499 0.546 0.801 0.800 0.800 N 1.292 Z: 9 11.648 1.770 0.823 0.905 1.000 0.750 CB 0.908 Z: 10 7.524 1.698 0.337 0.500 0.889 0.778 CA 1.243 10 residues pruned to eliminate duplicates Z: 12 2.666 1.491 0.103 0.456 0.727 0.364 CB 0.703 12 residues pruned to eliminate duplicates Z: 8 6.423 1.570 0.541 0.554 0.857 0.714 CA 1.110 Z: 16 18.640 1.768 0.665 0.802 0.933 0.867 CA 1.345 16 residues pruned to eliminate duplicates Z: 10 13.463 2.018 0.518 0.606 1.000 0.889 CB 1.324 10 residues pruned to eliminate duplicates Z: 6 13.231 1.841 0.829 0.844 1.000 0.600 CA 1.307 6 residues pruned to eliminate duplicates Z: 13 20.460 1.973 0.588 0.919 1.000 1.000 CB 1.328 13 residues pruned to eliminate duplicates Z: 8 4.254 1.629 0.548 0.504 1.000 0.714 CB 0.635 Z: 21 10.045 1.832 0.329 0.400 0.950 0.750 CB 1.079 23 residues pruned to eliminate duplicates Z: 11 4.100 1.618 0.259 0.346 0.700 0.600 CB 1.075 11 residues pruned to eliminate duplicates Z: 15 30.269 1.939 0.831 0.937 1.000 0.929 CA 1.587 15 residues pruned to eliminate duplicates Z: 21 14.271 1.773 0.577 0.550 0.900 0.600 CB 1.207 9 residues pruned to eliminate duplicates Z: 25 19.802 1.979 0.670 0.533 0.833 0.667 CB 1.421 25 residues pruned to eliminate duplicates Z: 17 19.545 1.789 0.564 0.771 1.000 0.688 CB 1.374 17 residues pruned to eliminate duplicates Z: 12 18.716 1.881 0.523 0.886 1.000 0.818 CB 1.421 12 residues pruned to eliminate duplicates 6 1.272 1.442 -0.115 0.552 0.600 0.400 CB 0.706 ? Z: 17 18.211 1.844 0.671 0.820 0.938 0.688 CA 1.194 17 residues pruned to eliminate duplicates Z: 12 8.509 1.712 0.570 0.810 0.909 0.727 CB 0.801 10 residues pruned to eliminate duplicates Z: 7 4.794 1.605 -0.039 0.585 1.000 0.667 CB 1.170 Z: 15 22.300 1.930 0.627 0.922 0.929 0.929 CB 1.437 15 residues pruned to eliminate duplicates Z: 14 8.822 1.662 0.500 0.526 0.923 0.692 CB 1.036 9 residues pruned to eliminate duplicates Z: 17 10.177 1.850 0.389 0.367 0.938 0.688 CB 1.218 17 residues pruned to eliminate duplicates Z: 8 3.725 1.612 0.703 0.223 0.857 0.429 CB 0.828 Z: 11 3.452 1.550 0.286 0.288 0.800 0.700 CB 0.869 Z: 11 15.373 1.834 0.734 0.873 1.000 0.700 CB 1.114 13 residues pruned to eliminate duplicates Z: 8 4.144 1.592 0.307 0.432 0.857 0.571 CB 0.942 Z: 9 10.425 1.732 0.560 0.854 0.875 0.750 CA 1.151 9 residues pruned to eliminate duplicates Z: 18 9.738 1.662 0.587 0.356 0.824 0.471 CA 1.270 18 residues pruned to eliminate duplicates Z: 35 17.573 1.771 0.603 0.565 0.853 0.676 CB 1.168 37 residues pruned to eliminate duplicates Z: 15 5.259 1.779 0.169 0.388 0.786 0.500 CB 0.969 15 residues pruned to eliminate duplicates Z: 25 17.975 1.813 0.821 0.651 0.875 0.583 CB 1.104 25 residues pruned to eliminate duplicates Z: 40 24.846 1.931 0.620 0.426 1.000 0.615 CB 1.373 36 residues pruned to eliminate duplicates Z: 13 8.200 1.783 0.278 0.429 0.917 0.500 CB 1.220 12 residues pruned to eliminate duplicates Z: 10 7.867 1.555 0.583 0.583 0.889 0.667 CA 1.107 10 residues pruned to eliminate duplicates Z: 18 19.023 1.764 0.806 0.794 1.000 0.647 CB 1.120 18 residues pruned to eliminate duplicates Z: 7 5.830 1.626 0.565 0.528 0.833 0.500 CB 1.092 7 residues pruned to eliminate duplicates Z: 9 8.068 1.699 0.586 0.764 0.625 0.500 CA 1.340 9 residues pruned to eliminate duplicates Z: 16 23.296 1.848 0.933 0.913 0.933 0.667 CB 1.277 16 residues pruned to eliminate duplicates Z: 15 10.995 1.772 0.566 0.432 1.000 0.643 CB 1.136 15 residues pruned to eliminate duplicates Z: 8 3.057 1.612 0.028 0.292 0.714 0.286 CB 1.232 Z: 12 25.548 1.930 1.150 0.922 0.909 0.727 CB 1.436 12 residues pruned to eliminate duplicates Z: 10 5.651 1.695 0.342 0.787 1.000 0.222 CB 0.644 9 residues pruned to eliminate duplicates Z: 13 15.959 1.773 0.728 0.711 0.917 0.500 CB 1.355 13 residues pruned to eliminate duplicates Z: 10 8.305 1.740 0.305 0.588 0.889 0.556 N 1.260 7 residues pruned to eliminate duplicates Z: 14 5.797 1.676 0.320 0.330 0.846 0.462 CB 1.036 14 residues pruned to eliminate duplicates Z: 10 4.125 1.613 0.234 0.394 0.778 0.333 CB 0.994 Z: 10 7.578 1.725 0.599 0.438 0.778 0.556 CB 1.256 Z: 10 4.358 1.415 0.657 0.357 0.667 0.556 N 1.085 Z: 6 2.894 1.426 0.219 0.431 0.800 0.200 N 1.000 Z: 11 12.646 1.770 0.411 0.893 1.000 0.800 CB 1.149 11 residues pruned to eliminate duplicates Z: 7 6.336 1.708 0.753 0.376 1.000 0.667 CB 0.986 6 residues pruned to eliminate duplicates Z: 6 2.226 1.164 0.445 0.453 0.800 0.800 CB 0.776 Z: 19 16.775 1.824 0.712 0.529 0.889 0.556 CB 1.384 19 residues pruned to eliminate duplicates Z: 9 9.183 1.967 0.497 0.500 0.750 0.375 CA 1.470 10 residues pruned to eliminate duplicates Z: 8 4.048 1.454 0.442 0.320 0.857 0.571 C 1.039 Z: 11 14.082 1.721 0.973 0.718 1.000 0.500 CB 1.077 11 residues pruned to eliminate duplicates Z: 30 24.368 1.999 0.651 0.515 0.931 0.483 CB 1.451 30 residues pruned to eliminate duplicates Z: 17 26.807 1.836 1.013 0.928 1.000 0.812 CA 1.270 18 residues pruned to eliminate duplicates Z: 59 36.125 1.910 0.769 0.611 0.931 0.621 CB 1.357 59 residues pruned to eliminate duplicates Z: 17 16.663 1.900 0.352 0.862 0.938 0.812 CA 1.270 17 residues pruned to eliminate duplicates Z: 18 18.802 1.778 0.658 0.772 1.000 0.706 CB 1.216 18 residues pruned to eliminate duplicates Z: 20 9.687 1.718 0.436 0.361 0.947 0.526 CB 1.104 20 residues pruned to eliminate duplicates Z: 13 9.870 1.705 0.433 0.565 0.917 0.583 CA 1.195 13 residues pruned to eliminate duplicates Z: 11 11.216 1.839 0.651 0.535 0.800 0.700 CA 1.410 11 residues pruned to eliminate duplicates Z: 12 10.677 1.577 0.737 0.866 1.000 0.455 CB 0.860 12 residues pruned to eliminate duplicates Z: 6 5.410 1.619 0.487 0.464 0.800 0.400 CB 1.302 Z: 7 4.478 1.426 0.460 0.840 0.833 0.833 CB 0.786 7 residues pruned to eliminate duplicates Z: 6 5.226 1.675 0.424 0.535 1.000 0.600 CB 0.946 Z: 6 4.032 1.440 0.123 0.414 1.000 0.600 N 1.220 Z: 9 6.224 1.757 0.368 0.356 0.750 0.500 CA 1.426 7 residues pruned to eliminate duplicates Z: 6 4.247 1.249 0.569 0.761 0.800 0.600 CB 0.961 Z: 7 3.883 1.525 0.604 0.366 0.667 0.333 CB 1.122 Z: 8 13.274 1.806 0.590 0.851 1.000 0.714 CB 1.294 8 residues pruned to eliminate duplicates Z: 12 3.873 1.509 0.112 0.289 0.818 0.455 CB 1.078 12 residues pruned to eliminate duplicates Z: 34 26.402 1.830 0.795 0.730 0.939 0.636 CB 1.211 34 residues pruned to eliminate duplicates Z: 11 9.582 1.718 0.416 0.820 1.000 0.700 CA 0.944 Z: 11 3.760 1.289 0.212 0.863 1.000 1.000 CB 0.559 Z: 6 5.779 1.795 0.297 0.643 1.000 0.600 CB 0.971 6 residues pruned to eliminate duplicates Z: 7 5.788 1.727 0.696 0.567 0.667 0.667 CB 1.134 Z: 10 8.624 1.612 0.632 0.384 1.000 0.667 N 1.237 3 residues pruned to eliminate duplicates Z: 10 7.139 1.618 0.201 0.644 1.000 0.556 N 1.070 Z: 8 9.866 1.813 0.411 0.875 1.000 0.857 CB 1.060 Z: 21 14.482 1.841 0.632 0.368 0.950 0.800 CB 1.307 21 residues pruned to eliminate duplicates Z: 11 7.970 1.737 0.235 0.519 0.900 0.600 CB 1.281 10 residues pruned to eliminate duplicates Z: 33 29.246 1.898 0.880 0.679 0.875 0.562 CB 1.404 33 residues pruned to eliminate duplicates Z: 12 3.554 1.655 0.512 0.471 0.727 0.545 CB 0.606 12 residues pruned to eliminate duplicates Z: 14 6.133 1.562 0.375 0.285 0.769 0.462 CB 1.311 14 residues pruned to eliminate duplicates Z: 7 3.315 1.587 0.269 0.346 0.667 0.333 CB 1.193 Z: 7 6.210 1.714 0.599 0.844 0.667 0.500 CB 1.033 7 residues pruned to eliminate duplicates Z: 18 26.457 1.832 0.843 0.860 0.941 0.706 CB 1.485 18 residues pruned to eliminate duplicates Z: 11 3.683 1.669 0.339 0.375 0.800 0.400 CB 0.745 Z: 12 8.756 1.854 0.559 0.779 0.818 0.636 CA 0.873 12 residues pruned to eliminate duplicates Z: 7 4.236 1.587 0.322 0.485 0.833 0.500 CB 1.005 Z: 10 4.685 1.614 -0.011 0.465 1.000 0.556 CB 1.013 Z: 33 11.863 1.710 0.399 0.376 0.875 0.594 CB 1.144 47 residues pruned to eliminate duplicates Z: 12 13.479 1.586 0.764 0.850 0.909 0.818 CB 1.184 13 residues pruned to eliminate duplicates Z: 8 11.223 1.601 0.857 0.815 1.000 0.571 CA 1.086 8 residues pruned to eliminate duplicates Z: 8 9.756 1.861 0.333 0.914 1.000 1.000 CB 1.051 8 residues pruned to eliminate duplicates Z: 11 5.852 1.598 0.377 0.415 0.700 0.600 CB 1.312 11 residues pruned to eliminate duplicates Z: 9 11.127 1.700 0.436 0.902 1.000 0.875 CB 1.150 6 residues pruned to eliminate duplicates Z: 13 10.313 1.691 0.191 0.780 1.000 0.750 CB 1.155 13 residues pruned to eliminate duplicates Z: 10 14.724 1.966 0.572 0.784 1.000 0.778 CB 1.237 10 residues pruned to eliminate duplicates Z: 12 7.286 1.716 0.638 0.332 0.909 0.545 CB 1.034 20 residues pruned to eliminate duplicates Z: 10 7.810 1.667 0.280 0.545 1.000 0.667 CB 1.167 5 residues pruned to eliminate duplicates Z: 9 8.605 1.731 0.522 0.859 0.875 0.750 CB 0.972 8 residues pruned to eliminate duplicates Z: 9 5.798 1.835 0.678 0.409 0.875 0.500 CB 0.837 Z: 9 12.565 2.089 0.440 0.681 0.875 0.750 CA 1.429 9 residues pruned to eliminate duplicates Z: 10 12.288 1.795 1.009 0.478 0.889 0.667 CB 1.306 36 residues pruned to eliminate duplicates Z: 10 8.048 1.664 0.585 0.491 1.000 0.778 CB 1.026 8 residues pruned to eliminate duplicates Z: 17 24.030 1.861 0.651 0.896 1.000 0.875 CA 1.400 17 residues pruned to eliminate duplicates Z: 6 2.189 1.504 0.275 0.300 0.800 0.400 CA 0.798 3 residues pruned to eliminate duplicates Z: 14 24.460 1.925 0.966 0.910 1.000 0.692 CB 1.272 14 residues pruned to eliminate duplicates Z: 48 22.928 1.926 0.676 0.537 0.894 0.702 CB 1.118 88 residues pruned to eliminate duplicates Z: 9 5.897 1.724 0.444 0.396 0.875 0.750 CB 1.068 9 residues pruned to eliminate duplicates Z: 12 16.417 1.791 0.692 0.800 0.909 0.636 CA 1.383 11 residues pruned to eliminate duplicates Z: 19 6.047 1.579 0.380 0.239 0.833 0.444 CB 1.062 12 residues pruned to eliminate duplicates Z: 15 17.819 1.841 0.490 0.921 1.000 1.000 CB 1.222 15 residues pruned to eliminate duplicates Z: 8 3.915 1.669 0.070 0.379 0.857 0.571 CB 1.100 8 residues pruned to eliminate duplicates Z: 7 2.520 1.532 -0.018 0.290 0.667 0.333 N 1.300 Z: 11 9.170 1.765 0.506 0.393 0.800 0.600 N 1.527 11 residues pruned to eliminate duplicates Z: 9 5.539 1.546 0.288 0.463 0.875 0.750 N 1.167 8 residues pruned to eliminate duplicates Z: 19 12.997 1.754 0.577 0.538 0.889 0.667 CB 1.201 19 residues pruned to eliminate duplicates Z: 12 16.221 1.878 0.416 0.857 1.000 0.818 CA 1.355 12 residues pruned to eliminate duplicates Z: 10 10.892 1.764 0.346 0.890 1.000 0.778 CB 1.101 9 residues pruned to eliminate duplicates Z: 11 5.283 1.670 0.256 0.512 0.900 0.800 CA 0.874 Z: 9 8.040 1.890 0.332 0.341 0.875 0.625 CB 1.534 15 residues pruned to eliminate duplicates Z: 6 13.154 1.706 0.918 0.805 1.000 1.000 CA 1.377 7 residues pruned to eliminate duplicates Z: 21 17.800 1.714 0.580 0.776 0.950 0.850 CA 1.213 21 residues pruned to eliminate duplicates Z: 6 6.954 1.504 0.404 0.825 1.000 0.800 CB 1.112 6 residues pruned to eliminate duplicates Z: 17 20.223 1.824 0.824 0.606 0.938 0.562 N 1.466 17 residues pruned to eliminate duplicates Z: 6 2.788 1.359 0.130 0.493 1.000 0.400 CB 0.817 Z: 13 21.882 1.920 1.039 0.885 1.000 0.417 CA 1.165 13 residues pruned to eliminate duplicates Z: 11 14.960 1.814 0.865 0.847 0.800 0.700 CA 1.297 11 residues pruned to eliminate duplicates Z: 17 13.511 1.962 0.636 0.435 0.875 0.562 CB 1.286 17 residues pruned to eliminate duplicates Z: 16 17.628 1.888 0.421 0.892 1.000 0.800 CA 1.219 16 residues pruned to eliminate duplicates Z: 6 5.047 1.288 0.817 0.551 1.000 0.600 N 0.918 Z: 10 10.455 1.612 0.343 0.829 1.000 0.889 CB 1.211 9 residues pruned to eliminate duplicates Z: 16 22.203 1.958 0.641 0.888 0.933 0.733 CB 1.378 16 residues pruned to eliminate duplicates Z: 6 2.468 1.456 0.783 0.363 0.600 0.400 N 0.821 Z: 26 14.244 1.820 0.528 0.422 0.960 0.640 CB 1.157 26 residues pruned to eliminate duplicates Z: 9 7.133 1.597 0.146 0.889 1.000 0.875 CB 0.992 6 1.331 1.478 0.314 0.100 0.600 0.400 O 0.851 ? Z: 15 26.174 1.960 0.627 0.938 1.000 0.929 CA 1.526 15 residues pruned to eliminate duplicates Z: 6 4.193 1.490 0.464 0.418 1.000 0.400 N 0.937 Z: 11 3.655 1.382 0.158 0.386 0.800 0.500 CB 1.019 Z: 6 2.570 1.631 0.601 0.751 0.600 0.400 CB 0.587 6 1.342 1.302 0.376 0.736 1.000 0.600 CB 0.271 ? Z: 15 3.357 1.704 0.271 0.148 0.714 0.357 CB 0.895 11 residues pruned to eliminate duplicates Z: 12 13.892 1.880 0.282 0.824 1.000 0.818 CB 1.312 12 residues pruned to eliminate duplicates Z: 6 5.056 1.484 0.495 0.806 1.000 0.600 CB 0.780 6 residues pruned to eliminate duplicates Z: 8 9.541 1.564 0.936 0.892 1.000 0.857 CB 0.855 Z: 12 11.752 1.715 0.573 0.803 0.909 0.727 CB 1.109 12 residues pruned to eliminate duplicates Z: 8 10.248 1.682 0.908 0.811 0.857 0.857 CB 1.074 7 residues pruned to eliminate duplicates Z: 14 4.192 1.648 0.074 0.198 0.923 0.615 CB 1.020 14 residues pruned to eliminate duplicates 6 1.730 1.487 0.726 0.415 0.800 0.600 CB 0.412 ? Z: 18 35.049 1.935 1.339 0.906 0.882 0.765 CB 1.514 18 residues pruned to eliminate duplicates Z: 19 16.668 1.691 0.529 0.754 1.000 0.889 CA 1.212 19 residues pruned to eliminate duplicates Z: 13 3.171 1.611 0.383 0.145 0.583 0.333 CA 1.092 Z: 11 5.685 1.638 0.460 0.376 0.800 0.700 CB 1.072 11 residues pruned to eliminate duplicates Z: 12 7.725 1.564 0.473 0.468 0.909 0.727 CB 1.148 10 residues pruned to eliminate duplicates Z: 10 11.341 1.745 0.992 0.578 0.889 0.667 CA 1.135 11 residues pruned to eliminate duplicates Z: 10 8.377 1.714 0.081 0.845 1.000 0.778 CB 1.121 10 residues pruned to eliminate duplicates Z: 14 22.620 1.917 0.639 0.919 1.000 0.846 CB 1.407 14 residues pruned to eliminate duplicates Z: 7 7.366 1.658 0.529 0.620 1.000 0.833 CA 1.059 Z: 8 7.726 1.746 0.820 0.554 0.857 0.857 CB 1.018 Z: 10 21.079 1.906 0.796 0.862 1.000 0.889 CB 1.507 10 residues pruned to eliminate duplicates Z: 6 6.699 1.730 0.636 0.715 0.800 0.400 CB 1.089 Z: 13 9.488 1.684 0.367 0.794 0.833 0.750 CB 1.102 13 residues pruned to eliminate duplicates Z: 17 21.008 1.795 0.785 0.887 0.938 0.750 CB 1.260 17 residues pruned to eliminate duplicates Z: 14 4.451 1.459 0.491 0.229 0.692 0.308 CB 1.124 26 residues pruned to eliminate duplicates Z: 12 9.736 1.720 0.726 0.800 1.000 0.636 CB 0.761 11 residues pruned to eliminate duplicates Z: 9 10.411 1.793 0.434 0.843 1.000 0.750 CB 1.066 8 residues pruned to eliminate duplicates Z: 12 13.998 1.893 0.659 0.747 0.818 0.455 CB 1.317 12 residues pruned to eliminate duplicates Z: 23 17.599 1.711 0.522 0.777 0.955 0.636 CB 1.182 23 residues pruned to eliminate duplicates Z: 11 3.319 1.447 0.537 0.183 0.900 0.600 CB 0.767 11 residues pruned to eliminate duplicates Z: 29 16.216 1.931 0.564 0.408 0.893 0.464 CB 1.252 29 residues pruned to eliminate duplicates Z: 18 9.131 1.752 0.256 0.547 0.941 0.588 CB 1.022 18 residues pruned to eliminate duplicates Z: 11 7.037 1.622 0.392 0.321 1.000 0.500 CB 1.201 Z: 19 14.444 1.775 0.307 0.731 0.944 0.778 CB 1.263 19 residues pruned to eliminate duplicates Z: 27 14.028 1.709 0.507 0.514 0.846 0.500 CA 1.245 34 residues pruned to eliminate duplicates Z: 21 18.561 1.846 0.671 0.660 0.950 0.450 CA 1.221 21 residues pruned to eliminate duplicates Z: 7 9.105 1.707 0.236 0.885 1.000 0.833 CA 1.272 7 residues pruned to eliminate duplicates Z: 10 4.452 1.512 0.270 0.554 1.000 0.444 CB 0.734 Z: 9 10.937 1.610 0.537 0.872 1.000 1.000 CB 1.139 8 residues pruned to eliminate duplicates Z: 15 21.181 1.894 0.753 0.875 1.000 0.929 CB 1.240 15 residues pruned to eliminate duplicates Z: 17 24.226 1.842 0.858 0.923 1.000 0.750 CA 1.244 17 residues pruned to eliminate duplicates Z: 9 2.454 1.369 0.622 0.232 0.625 0.250 CB 0.854 Z: 12 9.144 1.815 0.356 0.548 0.909 0.909 CB 1.176 12 residues pruned to eliminate duplicates Z: 18 34.141 1.932 1.031 0.904 1.000 0.647 CB 1.503 18 residues pruned to eliminate duplicates Z: 45 35.935 1.915 0.920 0.574 0.932 0.614 CB 1.472 45 residues pruned to eliminate duplicates Z: 23 12.300 1.740 0.501 0.414 0.909 0.591 CB 1.209 23 residues pruned to eliminate duplicates Z: 7 3.388 1.584 -0.058 0.326 0.833 0.667 O 1.348 7 residues pruned to eliminate duplicates Z: 24 21.289 1.863 0.749 0.679 0.913 0.522 CB 1.265 24 residues pruned to eliminate duplicates Z: 8 9.545 1.841 0.517 0.891 1.000 0.857 CB 0.929 8 residues pruned to eliminate duplicates Z: 11 10.605 1.636 0.342 0.800 1.000 0.900 CB 1.175 10 residues pruned to eliminate duplicates Z: 15 25.222 1.854 0.882 0.874 1.000 0.786 CA 1.406 15 residues pruned to eliminate duplicates Z: 7 3.585 1.522 0.571 0.403 0.667 0.500 CA 1.016 Z: 6 3.033 1.624 0.137 0.259 0.800 0.600 CB 1.209 3 residues pruned to eliminate duplicates Z: 15 15.837 1.801 0.617 0.746 0.857 0.643 CA 1.361 15 residues pruned to eliminate duplicates Z: 6 6.878 1.734 0.237 0.586 1.000 0.600 CB 1.320 Z: 9 8.950 1.707 0.331 0.862 1.000 0.875 CB 1.023 9 residues pruned to eliminate duplicates Z: 12 5.447 1.679 0.460 0.270 0.818 0.364 CB 1.064 Z: 27 13.359 1.730 0.544 0.418 0.923 0.654 CB 1.158 27 residues pruned to eliminate duplicates Z: 9 6.634 1.582 0.641 0.861 0.875 0.750 CB 0.759 9 residues pruned to eliminate duplicates Z: 15 16.331 1.716 0.627 0.836 0.786 0.429 CA 1.489 15 residues pruned to eliminate duplicates Z: 8 7.615 1.866 0.360 0.720 0.857 0.857 CA 1.084 8 residues pruned to eliminate duplicates Z: 16 10.190 1.660 0.669 0.640 0.867 0.667 CB 0.961 16 residues pruned to eliminate duplicates Z: 13 10.086 1.830 0.357 0.289 0.917 0.500 CB 1.621 13 residues pruned to eliminate duplicates Z: 6 2.304 1.504 0.603 0.860 1.000 0.800 CB 0.314 Z: 8 9.432 1.514 1.010 0.843 1.000 0.714 CB 0.872 6 residues pruned to eliminate duplicates Z: 6 5.388 1.691 0.557 0.303 0.800 0.600 N 1.424 6 residues pruned to eliminate duplicates Z: 9 5.119 1.636 0.502 0.291 0.750 0.375 N 1.241 Z: 23 11.989 1.779 0.302 0.461 0.955 0.455 CB 1.203 23 residues pruned to eliminate duplicates Z: 27 22.167 1.983 0.754 0.650 0.846 0.692 CB 1.284 Z: 10 5.184 1.405 0.722 0.332 0.778 0.556 O 1.104 Z: 10 3.847 1.601 0.096 0.344 0.778 0.444 CB 1.114 Z: 17 17.354 1.812 0.533 0.926 1.000 1.000 CA 1.095 17 residues pruned to eliminate duplicates Z: 8 4.998 1.547 0.504 0.530 0.857 0.571 CB 0.920 Z: 12 11.797 1.620 0.450 0.893 1.000 0.909 CB 1.087 12 residues pruned to eliminate duplicates Z: 7 2.636 1.706 0.290 0.445 0.667 0.500 CB 0.776 Z: 8 2.715 1.543 0.585 0.308 0.571 0.286 CB 0.909 8 residues pruned to eliminate duplicates Z: 11 8.338 1.540 0.837 0.760 0.900 0.600 CB 0.822 8 residues pruned to eliminate duplicates Z: 7 4.630 1.441 0.424 0.487 0.833 0.667 O 1.120 7 residues pruned to eliminate duplicates Z: 7 6.299 1.777 0.452 0.228 1.000 0.500 CA 1.369 13 residues pruned to eliminate duplicates Z: 7 2.345 1.283 0.773 0.367 0.667 0.333 CB 0.728 Z: 12 3.900 1.427 0.587 0.277 0.818 0.455 N 0.817 Z: 6 2.472 1.558 0.398 0.426 0.600 0.600 CB 0.913 6 residues pruned to eliminate duplicates Z: 12 7.610 1.641 0.469 0.384 0.909 0.545 CB 1.184 12 residues pruned to eliminate duplicates Z: 16 17.809 1.803 0.634 0.903 0.933 0.667 CB 1.192 16 residues pruned to eliminate duplicates Z: 12 8.479 1.576 0.631 0.839 0.818 0.545 CB 0.907 12 residues pruned to eliminate duplicates Z: 11 15.714 1.934 0.578 0.908 1.000 0.700 CA 1.156 11 residues pruned to eliminate duplicates Z: 7 3.893 1.616 0.303 0.281 0.833 0.667 CB 1.158 7 residues pruned to eliminate duplicates Z: 6 5.718 1.527 0.214 0.819 1.000 1.000 CB 1.046 6 residues pruned to eliminate duplicates Z: 9 4.329 1.703 -0.032 0.475 0.750 0.500 CB 1.270 Z: 13 4.591 1.400 0.356 0.306 0.833 0.417 CB 1.039 7 residues pruned to eliminate duplicates Z: 6 6.506 1.502 0.745 0.627 0.800 0.800 O 1.231 Z: 10 5.446 1.647 0.405 0.335 0.778 0.222 N 1.208 16 residues pruned to eliminate duplicates Z: 6 6.981 1.653 0.822 0.785 1.000 0.800 CB 0.807 6 residues pruned to eliminate duplicates Z: 11 7.442 1.662 0.706 0.531 0.600 0.100 N 1.343 11 residues pruned to eliminate duplicates Z: 8 4.369 1.371 0.679 0.859 0.857 0.714 CB 0.616 Z: 10 8.797 1.607 0.375 0.852 1.000 0.778 CB 0.981 10 residues pruned to eliminate duplicates Z: 9 6.423 1.650 0.225 0.434 1.000 0.750 CB 1.203 9 residues pruned to eliminate duplicates Z: 7 3.097 1.537 0.075 0.557 0.667 0.333 CB 1.086 7 residues pruned to eliminate duplicates Z: 12 8.567 1.755 0.336 0.502 0.909 0.636 CB 1.210 Z: 7 3.574 1.454 0.806 0.345 0.833 0.500 CB 0.789 Z: 7 6.998 1.616 0.368 0.812 1.000 0.500 CB 0.985 7 residues pruned to eliminate duplicates Z: 14 9.113 1.531 0.609 0.783 0.923 0.462 CB 0.866 14 residues pruned to eliminate duplicates Z: 9 11.016 1.618 0.907 0.836 1.000 0.750 CB 0.945 9 residues pruned to eliminate duplicates Z: 6 3.817 1.430 0.530 0.549 0.800 0.600 C 0.930 Z: 12 12.151 1.720 0.687 0.850 0.909 0.818 CB 1.029 12 residues pruned to eliminate duplicates Z: 10 4.065 1.515 0.461 0.372 0.667 0.444 N 1.053 10 residues pruned to eliminate duplicates Z: 13 7.366 1.632 0.497 0.461 0.833 0.583 CB 1.087 23 residues pruned to eliminate duplicates Z: 10 10.939 1.696 0.529 0.870 1.000 0.556 CB 1.026 10 residues pruned to eliminate duplicates Z: 22 12.583 1.728 0.463 0.373 0.952 0.619 CB 1.306 22 residues pruned to eliminate duplicates Z: 10 4.923 1.712 0.744 0.325 0.778 0.556 CB 0.856 10 residues pruned to eliminate duplicates 6 1.518 1.358 0.136 0.137 1.000 0.200 CB 0.691 ? Z: 14 6.567 1.635 0.628 0.486 0.692 0.308 CB 1.002 14 residues pruned to eliminate duplicates Z: 11 5.540 1.658 0.521 0.296 0.900 0.600 CB 0.969 11 residues pruned to eliminate duplicates Z: 23 10.473 1.791 0.408 0.336 0.864 0.409 CB 1.226 30 residues pruned to eliminate duplicates Z: 17 21.295 1.822 0.590 0.929 0.938 0.938 CA 1.372 17 residues pruned to eliminate duplicates Z: 22 29.017 1.985 0.674 0.785 1.000 0.714 CA 1.483 22 residues pruned to eliminate duplicates Z: 13 6.383 1.691 0.510 0.428 1.000 0.500 CB 0.778 13 residues pruned to eliminate duplicates Z: 18 15.353 1.665 0.655 0.770 0.882 0.647 CB 1.206 18 residues pruned to eliminate duplicates Z: 7 4.775 1.476 0.485 0.680 0.833 0.500 CA 0.904 7 residues pruned to eliminate duplicates Z: 10 8.632 1.743 0.535 0.755 0.889 0.556 CA 0.964 10 residues pruned to eliminate duplicates Z: 8 9.144 1.788 0.086 0.863 1.000 0.857 CB 1.306 8 residues pruned to eliminate duplicates Z: 11 8.883 1.770 0.530 0.532 0.800 0.600 CB 1.256 18 residues pruned to eliminate duplicates Z: 16 29.047 1.905 0.828 0.941 0.933 0.933 CB 1.601 16 residues pruned to eliminate duplicates Z: 23 15.633 1.901 0.440 0.502 0.909 0.545 CB 1.336 23 residues pruned to eliminate duplicates Z: 45 22.360 1.868 0.660 0.488 0.932 0.705 CB 1.181 45 residues pruned to eliminate duplicates Z: 6 4.051 1.571 0.075 0.445 0.800 0.600 O 1.419 10 residues pruned to eliminate duplicates Z: 6 3.442 1.214 0.744 0.439 0.800 0.600 C 0.968 Z: 8 8.191 1.585 0.624 0.763 1.000 0.714 CB 0.953 7 residues pruned to eliminate duplicates Z: 17 8.737 1.687 0.474 0.599 0.875 0.562 CB 0.913 20 residues pruned to eliminate duplicates Z: 11 3.404 1.409 0.450 0.208 0.800 0.400 CB 0.930 Z: 15 7.682 1.594 0.647 0.408 0.714 0.357 CB 1.206 15 residues pruned to eliminate duplicates Z: 7 6.085 1.539 0.510 0.688 0.833 0.833 N 1.080 Z: 9 5.527 1.607 0.355 0.655 0.750 0.625 N 1.036 9 residues pruned to eliminate duplicates Z: 6 4.175 1.427 0.704 0.841 1.000 0.600 CB 0.573 6 residues pruned to eliminate duplicates Z: 8 5.710 1.693 0.740 0.525 0.714 0.571 N 1.001 Z: 15 16.013 1.843 0.238 0.921 1.000 0.929 CA 1.319 15 residues pruned to eliminate duplicates Z: 8 2.165 1.444 0.053 0.268 0.714 0.571 CB 0.981 8 residues pruned to eliminate duplicates Z: 6 9.268 1.650 0.571 0.765 1.000 1.000 CB 1.265 5 residues pruned to eliminate duplicates Z: 7 2.196 1.327 0.326 0.322 0.667 0.667 O 0.930 Z: 6 5.445 1.558 0.531 0.493 1.000 0.600 CB 1.029 Z: 9 14.070 1.758 0.499 0.823 1.000 0.750 N 1.427 11 residues pruned to eliminate duplicates Z: 23 13.254 1.843 0.743 0.671 0.818 0.545 CB 0.918 23 residues pruned to eliminate duplicates Z: 14 5.279 1.598 0.232 0.269 0.769 0.538 CB 1.258 26 residues pruned to eliminate duplicates Z: 7 3.636 1.332 0.506 0.469 0.833 0.833 CB 0.917 Z: 23 15.513 1.693 0.632 0.753 0.864 0.636 CB 1.106 23 residues pruned to eliminate duplicates Z: 15 10.604 1.616 0.436 0.646 0.857 0.643 CB 1.243 15 residues pruned to eliminate duplicates Z: 6 2.047 1.185 0.603 0.434 0.800 0.400 CA 0.645 Z: 9 11.691 1.732 0.412 0.894 1.000 1.000 CA 1.212 9 residues pruned to eliminate duplicates Z: 10 6.337 1.584 0.602 0.504 1.000 0.667 CB 0.829 10 residues pruned to eliminate duplicates Z: 16 24.869 2.096 0.603 0.692 1.000 0.800 CB 1.603 16 residues pruned to eliminate duplicates Z: 14 11.649 1.744 0.734 0.881 0.923 0.538 CB 0.838 14 residues pruned to eliminate duplicates Z: 6 3.684 1.579 0.331 0.514 0.800 0.400 CA 0.967 Z: 8 6.008 1.553 0.239 0.694 0.857 0.286 CA 1.153 7 residues pruned to eliminate duplicates Z: 17 31.443 1.869 0.928 0.942 1.000 0.875 CB 1.513 17 residues pruned to eliminate duplicates Z: 44 15.833 1.811 0.624 0.278 0.814 0.488 CB 1.296 44 residues pruned to eliminate duplicates 9 1.924 1.252 0.502 0.242 0.625 0.375 CB 0.780 ? Z: 10 11.763 1.751 0.576 0.758 0.889 0.889 CA 1.270 10 residues pruned to eliminate duplicates Z: 8 3.615 1.370 0.538 0.527 0.714 0.429 CB 0.885 Z: 9 7.628 1.612 0.839 0.833 0.625 0.375 CB 1.092 9 residues pruned to eliminate duplicates Z: 27 19.186 1.975 0.621 0.439 0.923 0.654 CB 1.356 44 residues pruned to eliminate duplicates Z: 8 8.875 1.619 0.569 0.893 1.000 1.000 CB 0.948 8 residues pruned to eliminate duplicates Z: 14 11.711 1.570 0.527 0.859 0.923 0.846 CB 1.080 14 residues pruned to eliminate duplicates Z: 7 3.542 1.606 0.070 0.564 0.667 0.500 CB 1.187 7 residues pruned to eliminate duplicates Z: 13 9.939 1.787 0.478 0.483 1.000 0.750 CB 1.105 Z: 17 11.068 1.669 0.637 0.566 0.875 0.500 CB 1.086 12 residues pruned to eliminate duplicates Z: 12 6.830 1.925 0.637 0.365 0.818 0.545 CB 0.924 13 residues pruned to eliminate duplicates 6 1.841 1.262 0.710 0.438 0.600 0.400 N 0.678 ? Z: 16 5.420 1.659 0.527 0.238 0.733 0.400 CB 1.020 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 3.043 1.422 0.390 0.361 0.800 0.600 N 1.000 6 residues pruned to eliminate duplicates Z: 12 9.843 1.695 0.523 0.453 0.909 0.727 CA 1.326 12 residues pruned to eliminate duplicates Z: 11 13.158 1.628 0.707 0.668 1.000 0.800 CB 1.282 11 residues pruned to eliminate duplicates Z: 8 11.174 1.776 0.468 0.889 1.000 1.000 CA 1.166 8 residues pruned to eliminate duplicates Z: 10 10.814 1.679 0.560 0.790 0.889 0.889 CA 1.200 10 residues pruned to eliminate duplicates Z: 9 14.246 1.797 0.596 0.890 1.000 0.875 CA 1.263 9 residues pruned to eliminate duplicates Z: 9 15.030 1.785 0.611 0.871 1.000 1.000 CA 1.347 10 residues pruned to eliminate duplicates Z: 11 12.032 1.604 0.491 0.874 1.000 0.900 CB 1.158 11 residues pruned to eliminate duplicates Z: 9 12.739 1.760 0.559 0.783 1.000 1.000 CA 1.280 9 residues pruned to eliminate duplicates Z: 9 14.451 1.795 0.500 0.888 1.000 1.000 CA 1.367 9 residues pruned to eliminate duplicates Z: 8 2.172 1.426 0.507 0.305 0.429 0.429 C 1.106 8 residues pruned to eliminate duplicates Z: 6 2.440 1.535 0.158 0.399 0.600 0.200 CB 1.139 5 residues pruned to eliminate duplicates Z: 9 6.313 1.345 0.263 0.749 1.000 0.625 CA 1.052 Z: 8 5.098 1.602 0.164 0.651 0.857 0.429 N 1.048 7 residues pruned to eliminate duplicates Z: 9 5.991 1.361 0.362 0.746 0.875 0.625 CA 1.048 9 residues pruned to eliminate duplicates Z: 12 12.164 1.941 0.276 0.774 0.909 0.818 CB 1.279 12 residues pruned to eliminate duplicates Z: 12 14.640 1.946 0.430 0.786 1.000 0.818 CB 1.234 12 residues pruned to eliminate duplicates Z: 12 14.700 1.869 0.545 0.790 0.909 0.636 CB 1.309 12 residues pruned to eliminate duplicates Z: 12 18.267 1.917 0.627 0.788 1.000 0.727 CB 1.372 12 residues pruned to eliminate duplicates Z: 10 15.689 1.960 0.435 0.912 0.889 0.889 CB 1.482 10 residues pruned to eliminate duplicates Z: 14 11.722 1.795 0.563 0.642 0.923 0.692 CB 1.100 14 residues pruned to eliminate duplicates Z: 11 20.113 1.999 0.545 0.831 1.000 0.800 CA 1.547 11 residues pruned to eliminate duplicates Z: 14 12.340 1.790 0.426 0.704 0.923 0.615 CB 1.206 12 residues pruned to eliminate duplicates Z: 12 17.491 1.892 0.383 0.882 1.000 0.909 CA 1.457 14 residues pruned to eliminate duplicates Z: 12 16.704 1.893 0.496 0.870 1.000 0.818 CA 1.298 12 residues pruned to eliminate duplicates Z: 8 8.301 1.776 0.231 0.865 1.000 0.714 CB 1.051 8 residues pruned to eliminate duplicates Z: 12 6.013 1.637 0.247 0.649 0.818 0.727 CB 0.944 12 residues pruned to eliminate duplicates Z: 8 11.063 1.864 0.537 0.871 1.000 0.571 CB 1.065 9 residues pruned to eliminate duplicates Z: 10 8.562 1.657 0.461 0.817 0.889 0.556 CB 1.008 10 residues pruned to eliminate duplicates Z: 9 10.970 1.797 0.329 0.901 1.000 0.750 CB 1.159 9 residues pruned to eliminate duplicates Z: 11 11.161 1.749 0.434 0.865 1.000 0.800 CB 1.031 9 residues pruned to eliminate duplicates Z: 9 12.255 1.877 0.393 0.879 1.000 0.875 CB 1.202 9 residues pruned to eliminate duplicates Z: 11 10.151 1.784 0.208 0.814 1.000 0.800 CB 1.134 11 residues pruned to eliminate duplicates Z: 18 18.330 1.751 0.510 0.922 1.000 0.882 CA 1.183 18 residues pruned to eliminate duplicates Z: 9 12.033 1.841 0.780 0.617 0.875 0.500 CA 1.328 9 residues pruned to eliminate duplicates Z: 23 11.419 1.763 0.392 0.591 0.818 0.636 CA 1.111 23 residues pruned to eliminate duplicates Z: 21 18.228 1.829 0.723 0.667 0.950 0.600 CA 1.166 21 residues pruned to eliminate duplicates Z: 19 19.787 1.853 0.753 0.739 0.944 0.722 CA 1.226 19 residues pruned to eliminate duplicates Z: 18 21.622 1.903 0.860 0.775 1.000 0.765 CA 1.162 18 residues pruned to eliminate duplicates Z: 19 17.292 1.853 0.730 0.724 0.889 0.778 CA 1.169 19 residues pruned to eliminate duplicates Z: 19 21.542 1.868 0.785 0.751 1.000 0.667 CA 1.217 19 residues pruned to eliminate duplicates Z: 20 23.644 1.839 0.943 0.757 0.895 0.684 CB 1.350 20 residues pruned to eliminate duplicates Z: 17 16.938 1.839 0.966 0.789 0.875 0.625 CA 1.038 17 residues pruned to eliminate duplicates Z: 23 17.800 1.688 0.724 0.696 0.955 0.682 CA 1.143 23 residues pruned to eliminate duplicates Z: 17 13.610 1.818 0.841 0.596 0.812 0.500 CB 1.141 17 residues pruned to eliminate duplicates Z: 24 21.419 1.787 0.830 0.669 1.000 0.609 CA 1.168 23 residues pruned to eliminate duplicates Z: 16 25.206 1.949 1.007 0.886 0.933 0.733 CA 1.287 16 residues pruned to eliminate duplicates Z: 19 24.120 1.882 0.946 0.789 0.944 0.889 CA 1.275 19 residues pruned to eliminate duplicates Z: 11 10.892 1.655 0.590 0.591 0.900 0.600 N 1.333 Z: 8 6.682 1.392 0.592 0.511 1.000 0.714 N 1.128 8 residues pruned to eliminate duplicates Z: 23 20.560 1.798 0.761 0.616 0.955 0.727 CB 1.300 31 residues pruned to eliminate duplicates Z: 7 6.274 1.627 0.221 0.625 0.833 0.500 O 1.375 7 residues pruned to eliminate duplicates Z: 28 22.873 1.819 0.593 0.677 0.963 0.593 CB 1.340 28 residues pruned to eliminate duplicates Z: 21 24.777 1.867 0.698 0.707 1.000 0.650 CB 1.448 21 residues pruned to eliminate duplicates Z: 28 22.643 1.872 0.564 0.649 0.926 0.704 CB 1.399 28 residues pruned to eliminate duplicates Z: 28 17.150 1.746 0.774 0.512 0.889 0.370 CB 1.185 28 residues pruned to eliminate duplicates Z: 17 12.724 1.854 0.428 0.470 0.875 0.688 CB 1.416 17 residues pruned to eliminate duplicates Z: 23 20.369 1.816 0.576 0.655 1.000 0.591 CB 1.314 23 residues pruned to eliminate duplicates Z: 24 18.784 1.825 0.571 0.622 0.870 0.652 CB 1.400 24 residues pruned to eliminate duplicates Z: 24 16.982 1.816 0.270 0.588 0.957 0.783 CB 1.475 24 residues pruned to eliminate duplicates Z: 20 10.307 1.783 0.452 0.426 0.737 0.684 N 1.339 20 residues pruned to eliminate duplicates Z: 13 17.965 1.952 0.661 0.576 1.000 0.667 CB 1.487 13 residues pruned to eliminate duplicates Z: 18 11.934 1.756 0.391 0.472 0.882 0.529 CB 1.382 18 residues pruned to eliminate duplicates Z: 13 15.394 1.959 0.532 0.582 0.917 0.833 CB 1.493 13 residues pruned to eliminate duplicates Z: 23 20.955 1.774 0.577 0.665 0.955 0.727 CB 1.437 23 residues pruned to eliminate duplicates Z: 30 26.425 1.819 0.715 0.659 0.931 0.586 CA 1.457 30 residues pruned to eliminate duplicates Z: 31 19.107 1.730 0.779 0.491 0.833 0.500 CB 1.371 31 residues pruned to eliminate duplicates Z: 28 23.433 1.838 0.624 0.642 0.963 0.704 CA 1.375 28 residues pruned to eliminate duplicates Z: 22 25.073 1.901 0.684 0.668 0.952 0.762 CB 1.537 22 residues pruned to eliminate duplicates Z: 31 24.968 1.787 0.712 0.631 0.933 0.733 CB 1.412 34 residues pruned to eliminate duplicates Z: 18 20.838 1.776 0.853 0.754 1.000 0.588 CB 1.225 18 residues pruned to eliminate duplicates Z: 34 20.462 1.737 0.668 0.563 0.879 0.606 CB 1.316 34 residues pruned to eliminate duplicates Z: 30 15.310 1.717 0.716 0.466 0.759 0.483 CB 1.317 30 residues pruned to eliminate duplicates Z: 20 12.782 1.888 0.677 0.364 0.895 0.526 CB 1.197 20 residues pruned to eliminate duplicates Z: 34 21.834 1.820 0.353 0.636 0.939 0.758 CA 1.447 34 residues pruned to eliminate duplicates Z: 18 12.006 1.888 0.523 0.391 0.882 0.588 CB 1.288 18 residues pruned to eliminate duplicates Z: 13 9.285 1.832 0.424 0.468 0.917 0.583 CB 1.157 13 residues pruned to eliminate duplicates Z: 48 23.470 1.843 0.501 0.456 0.915 0.638 CB 1.414 48 residues pruned to eliminate duplicates Z: 18 11.697 1.863 0.578 0.372 0.882 0.706 CA 1.254 18 residues pruned to eliminate duplicates Z: 47 21.777 1.860 0.482 0.459 0.935 0.717 CB 1.300 47 residues pruned to eliminate duplicates Z: 11 9.821 1.782 0.384 0.511 1.000 0.900 CB 1.246 11 residues pruned to eliminate duplicates Z: 12 11.201 1.803 0.529 0.497 1.000 0.727 CB 1.229 12 residues pruned to eliminate duplicates Z: 10 10.410 1.773 0.551 0.517 1.000 0.778 CA 1.241 10 residues pruned to eliminate duplicates Z: 10 10.674 1.834 0.399 0.555 1.000 1.000 CA 1.315 10 residues pruned to eliminate duplicates Z: 22 11.988 1.876 0.521 0.288 0.857 0.571 CB 1.358 22 residues pruned to eliminate duplicates Z: 30 13.106 1.783 0.422 0.430 0.897 0.655 CB 1.151 30 residues pruned to eliminate duplicates Z: 22 14.942 1.914 0.557 0.333 0.952 0.619 CB 1.379 22 residues pruned to eliminate duplicates Z: 9 4.895 1.922 0.275 0.257 0.750 0.375 CB 1.244 15 residues pruned to eliminate duplicates Z: 35 16.145 1.856 0.524 0.390 0.882 0.529 CB 1.247 35 residues pruned to eliminate duplicates Z: 11 7.578 1.941 0.472 0.336 0.700 0.300 CB 1.433 11 residues pruned to eliminate duplicates Z: 37 15.207 1.823 0.569 0.362 0.861 0.500 CB 1.193 37 residues pruned to eliminate duplicates Z: 37 16.572 1.862 0.584 0.390 0.833 0.472 CB 1.263 37 residues pruned to eliminate duplicates Z: 35 17.384 1.868 0.514 0.393 0.912 0.559 CB 1.295 35 residues pruned to eliminate duplicates Z: 24 13.390 1.873 0.666 0.350 0.826 0.478 CB 1.275 24 residues pruned to eliminate duplicates Z: 35 16.725 1.884 0.504 0.397 0.882 0.500 CB 1.279 35 residues pruned to eliminate duplicates Z: 36 16.947 1.865 0.611 0.398 0.857 0.600 CB 1.239 36 residues pruned to eliminate duplicates Z: 36 18.774 1.848 0.636 0.413 0.886 0.657 CB 1.298 36 residues pruned to eliminate duplicates Z: 25 11.669 1.905 0.553 0.365 0.833 0.458 CB 1.117 25 residues pruned to eliminate duplicates Z: 12 7.067 1.832 0.195 0.373 1.000 0.818 CB 1.114 12 residues pruned to eliminate duplicates Z: 14 12.181 1.834 0.462 0.495 1.000 0.692 CB 1.266 14 residues pruned to eliminate duplicates Z: 15 11.776 1.800 0.589 0.470 1.000 0.643 CB 1.134 15 residues pruned to eliminate duplicates Z: 34 17.994 1.888 0.553 0.427 0.879 0.697 CB 1.312 34 residues pruned to eliminate duplicates Z: 14 10.882 1.804 0.569 0.461 0.846 0.692 CA 1.311 14 residues pruned to eliminate duplicates Z: 29 13.180 1.921 0.562 0.301 0.857 0.607 CB 1.209 29 residues pruned to eliminate duplicates Z: 20 13.692 1.847 0.657 0.371 0.947 0.684 CB 1.244 20 residues pruned to eliminate duplicates Z: 29 15.920 1.901 0.634 0.362 0.929 0.643 CB 1.210 29 residues pruned to eliminate duplicates Z: 43 17.782 1.863 0.626 0.316 0.857 0.524 CB 1.296 43 residues pruned to eliminate duplicates Z: 22 12.613 1.850 0.648 0.338 0.905 0.667 CB 1.191 22 residues pruned to eliminate duplicates Z: 31 16.056 1.951 0.550 0.347 0.867 0.600 CB 1.321 31 residues pruned to eliminate duplicates Z: 57 18.005 1.820 0.513 0.295 0.857 0.500 CB 1.282 57 residues pruned to eliminate duplicates Z: 58 21.023 1.866 0.637 0.351 0.842 0.649 CB 1.272 58 residues pruned to eliminate duplicates Z: 42 18.940 1.871 0.568 0.403 0.927 0.634 CB 1.205 42 residues pruned to eliminate duplicates Z: 35 15.947 1.846 0.487 0.390 0.882 0.529 CA 1.269 35 residues pruned to eliminate duplicates Z: 77 26.586 1.864 0.593 0.428 0.855 0.539 CB 1.295 77 residues pruned to eliminate duplicates Z: 31 20.860 1.969 0.701 0.548 0.900 0.567 CB 1.206 31 residues pruned to eliminate duplicates Z: 41 20.165 1.963 0.424 0.468 0.925 0.650 CB 1.274 41 residues pruned to eliminate duplicates Z: 31 13.283 1.835 0.505 0.320 0.867 0.567 CB 1.236 31 residues pruned to eliminate duplicates Z: 29 17.309 1.938 0.665 0.467 0.857 0.429 CB 1.224 29 residues pruned to eliminate duplicates Z: 42 16.608 1.921 0.583 0.347 0.780 0.537 CB 1.291 42 residues pruned to eliminate duplicates Z: 16 14.895 2.019 0.605 0.430 0.933 0.467 CB 1.368 16 residues pruned to eliminate duplicates Z: 14 10.862 1.899 0.389 0.501 0.846 0.615 CB 1.349 14 residues pruned to eliminate duplicates Z: 32 15.346 1.893 0.518 0.347 0.871 0.613 CB 1.301 32 residues pruned to eliminate duplicates Z: 32 17.031 1.889 0.619 0.361 0.871 0.581 CB 1.333 32 residues pruned to eliminate duplicates Z: 27 12.442 1.901 0.467 0.341 0.808 0.615 CB 1.289 27 residues pruned to eliminate duplicates Z: 26 10.796 1.822 0.496 0.373 0.840 0.600 CB 1.080 26 residues pruned to eliminate duplicates Z: 34 19.505 1.932 0.599 0.417 0.909 0.697 CB 1.318 34 residues pruned to eliminate duplicates Z: 43 23.854 1.903 0.501 0.515 0.952 0.667 CB 1.333 43 residues pruned to eliminate duplicates Z: 42 22.620 1.956 0.580 0.528 0.878 0.585 CB 1.267 42 residues pruned to eliminate duplicates Z: 12 15.750 1.920 0.816 0.778 0.818 0.636 CB 1.302 12 residues pruned to eliminate duplicates Z: 13 15.911 1.928 0.831 0.814 1.000 0.750 CB 0.991 13 residues pruned to eliminate duplicates Z: 41 23.160 1.946 0.616 0.531 0.900 0.675 CB 1.255 41 residues pruned to eliminate duplicates Z: 31 18.828 1.968 0.563 0.537 0.900 0.667 CB 1.198 31 residues pruned to eliminate duplicates Z: 41 24.835 1.935 0.649 0.511 0.950 0.550 CB 1.282 41 residues pruned to eliminate duplicates Z: 36 21.327 1.959 0.562 0.540 0.943 0.600 CB 1.201 36 residues pruned to eliminate duplicates Z: 60 21.645 1.863 0.563 0.440 0.881 0.559 CB 1.168 74 residues pruned to eliminate duplicates Z: 11 11.835 1.631 0.466 0.809 1.000 0.600 CA 1.196 9 residues pruned to eliminate duplicates Z: 11 11.869 1.669 0.407 0.835 1.000 0.600 CA 1.197 11 residues pruned to eliminate duplicates Z: 11 13.409 1.648 0.663 0.857 1.000 0.900 CB 1.141 11 residues pruned to eliminate duplicates Z: 11 11.594 1.637 0.498 0.840 1.000 0.800 CA 1.116 11 residues pruned to eliminate duplicates Z: 12 11.739 1.590 0.478 0.842 1.000 0.818 CB 1.122 12 residues pruned to eliminate duplicates Z: 11 10.865 1.660 0.469 0.697 1.000 0.500 CA 1.177 11 residues pruned to eliminate duplicates Z: 10 11.689 1.718 0.517 0.820 1.000 0.667 CA 1.132 10 residues pruned to eliminate duplicates Z: 12 12.595 1.600 0.568 0.765 1.000 0.727 CB 1.196 11 residues pruned to eliminate duplicates Z: 12 11.477 1.553 0.548 0.866 1.000 0.636 CB 1.054 12 residues pruned to eliminate duplicates Z: 8 7.706 1.659 0.597 0.552 0.857 0.857 N 1.219 8 residues pruned to eliminate duplicates Z: 6 4.314 1.573 0.745 0.425 1.000 0.600 CA 0.760 5 residues pruned to eliminate duplicates Z: 7 3.467 1.401 0.342 0.445 1.000 0.667 CB 0.797 7 residues pruned to eliminate duplicates Z: 7 8.976 1.828 0.582 0.659 0.833 0.833 N 1.312 9 residues pruned to eliminate duplicates Z: 17 28.722 1.921 0.807 0.935 1.000 1.000 CA 1.441 17 residues pruned to eliminate duplicates Z: 17 29.589 2.004 0.849 0.856 0.938 0.750 CA 1.570 17 residues pruned to eliminate duplicates Z: 17 26.389 1.986 0.785 0.907 0.938 0.812 CA 1.411 17 residues pruned to eliminate duplicates Z: 16 27.348 2.027 0.650 0.934 1.000 0.867 CA 1.472 16 residues pruned to eliminate duplicates Z: 17 30.184 2.014 0.888 0.864 0.938 0.812 CA 1.552 17 residues pruned to eliminate duplicates Z: 18 25.833 1.904 0.913 0.819 0.941 0.765 CA 1.386 18 residues pruned to eliminate duplicates Z: 22 24.180 1.825 0.980 0.821 0.810 0.714 CA 1.365 22 residues pruned to eliminate duplicates Z: 18 29.624 1.947 0.875 0.880 0.941 0.824 CA 1.516 18 residues pruned to eliminate duplicates Z: 20 25.791 1.836 0.859 0.797 0.947 0.737 CB 1.411 20 residues pruned to eliminate duplicates Z: 18 24.684 1.939 0.793 0.857 0.941 0.882 CA 1.349 18 residues pruned to eliminate duplicates Z: 19 28.001 1.929 0.742 0.820 0.944 0.778 CB 1.576 19 residues pruned to eliminate duplicates Z: 18 34.464 1.933 0.933 0.892 1.000 0.706 CB 1.607 18 residues pruned to eliminate duplicates Z: 17 29.230 1.943 0.947 0.850 0.938 0.500 CA 1.525 17 residues pruned to eliminate duplicates Z: 19 25.455 1.882 0.737 0.831 0.944 0.778 CA 1.460 19 residues pruned to eliminate duplicates Z: 15 7.384 1.568 0.256 0.367 0.929 0.571 CB 1.246 15 residues pruned to eliminate duplicates Z: 7 3.987 1.557 -0.123 0.456 1.000 0.333 CA 1.248 7 residues pruned to eliminate duplicates Z: 14 8.866 1.573 0.398 0.539 0.923 0.385 CB 1.166 14 residues pruned to eliminate duplicates Z: 10 7.636 1.689 0.377 0.331 1.000 0.778 CA 1.316 10 residues pruned to eliminate duplicates Z: 13 5.815 1.648 0.346 0.303 0.833 0.667 CB 1.131 13 residues pruned to eliminate duplicates Z: 14 5.826 1.610 0.458 0.274 0.769 0.538 CB 1.156 14 residues pruned to eliminate duplicates Z: 11 4.291 1.556 0.075 0.293 0.900 0.700 CB 1.136 11 residues pruned to eliminate duplicates Z: 12 6.880 1.710 0.333 0.327 0.909 0.727 CB 1.210 19 residues pruned to eliminate duplicates Z: 6 5.026 1.673 0.268 0.406 1.000 0.800 CB 1.170 6 residues pruned to eliminate duplicates Z: 14 8.148 1.657 0.451 0.285 0.846 0.615 CA 1.414 12 residues pruned to eliminate duplicates Z: 14 22.370 2.018 0.525 0.895 0.923 0.846 CA 1.566 14 residues pruned to eliminate duplicates Z: 24 21.232 1.908 0.556 0.645 0.870 0.652 CB 1.499 24 residues pruned to eliminate duplicates Z: 15 29.604 1.976 0.821 0.943 1.000 0.929 CA 1.524 15 residues pruned to eliminate duplicates Z: 23 22.778 1.955 0.679 0.563 0.909 0.682 CA 1.532 28 residues pruned to eliminate duplicates Z: 15 29.652 1.974 0.811 0.939 1.000 0.929 CA 1.541 15 residues pruned to eliminate duplicates Z: 15 29.849 2.012 0.667 0.940 1.000 0.929 CA 1.651 15 residues pruned to eliminate duplicates Z: 16 28.675 1.880 0.846 0.921 0.933 0.733 CB 1.608 16 residues pruned to eliminate duplicates Z: 13 25.903 2.105 0.788 0.841 1.000 1.000 CA 1.481 13 residues pruned to eliminate duplicates Z: 19 21.069 1.931 0.751 0.685 0.833 0.778 CA 1.487 19 residues pruned to eliminate duplicates Z: 20 23.591 1.987 0.740 0.665 0.895 0.684 CB 1.503 20 residues pruned to eliminate duplicates Z: 29 25.960 1.961 0.753 0.662 0.929 0.643 CB 1.323 29 residues pruned to eliminate duplicates Z: 20 24.219 1.989 0.904 0.648 0.842 0.684 CB 1.518 20 residues pruned to eliminate duplicates Z: 17 28.820 1.901 0.903 0.810 1.000 0.688 CA 1.521 17 residues pruned to eliminate duplicates Z: 8 5.861 1.732 0.323 0.520 1.000 0.714 CB 0.948 8 residues pruned to eliminate duplicates Z: 13 10.194 1.930 0.505 0.611 1.000 0.583 CB 0.912 13 residues pruned to eliminate duplicates Z: 16 10.899 1.956 0.480 0.550 0.867 0.600 CB 1.069 26 residues pruned to eliminate duplicates Z: 17 11.607 1.952 0.327 0.553 1.000 0.562 CB 1.064 17 residues pruned to eliminate duplicates Z: 18 8.418 1.812 0.415 0.534 0.941 0.765 CB 0.818 18 residues pruned to eliminate duplicates Z: 27 17.659 1.913 0.487 0.479 0.962 0.538 CB 1.294 29 residues pruned to eliminate duplicates Z: 9 15.271 2.104 0.535 0.816 1.000 0.625 CB 1.271 Z: 11 11.129 1.841 0.215 0.767 0.900 0.400 CA 1.380 11 residues pruned to eliminate duplicates Z: 13 8.458 1.901 0.304 0.510 0.833 0.417 CB 1.170 22 residues pruned to eliminate duplicates Z: 16 11.569 1.903 0.497 0.415 0.867 0.467 CB 1.322 16 residues pruned to eliminate duplicates Z: 56 21.853 1.954 0.406 0.513 0.909 0.636 CB 1.164 53 residues pruned to eliminate duplicates Z: 11 11.348 1.728 0.375 0.844 1.000 0.800 CB 1.124 11 residues pruned to eliminate duplicates Z: 11 8.884 1.752 0.303 0.810 1.000 0.600 CB 0.939 11 residues pruned to eliminate duplicates Z: 19 10.640 1.719 0.492 0.609 0.889 0.611 CB 0.991 19 residues pruned to eliminate duplicates Z: 18 12.173 1.699 0.427 0.688 1.000 0.765 CB 1.025 13 residues pruned to eliminate duplicates Z: 12 13.111 1.738 0.454 0.842 1.000 0.818 CB 1.166 12 residues pruned to eliminate duplicates Z: 13 10.149 1.739 0.518 0.792 0.917 0.833 CB 0.937 13 residues pruned to eliminate duplicates Z: 12 11.008 1.744 0.651 0.784 0.909 0.727 CB 0.988 12 residues pruned to eliminate duplicates Z: 24 10.367 1.735 0.534 0.505 0.826 0.609 CB 0.979 39 residues pruned to eliminate duplicates Z: 12 10.331 1.683 0.481 0.817 0.909 0.636 CB 1.044 12 residues pruned to eliminate duplicates Z: 25 12.695 1.744 0.530 0.521 0.917 0.458 CB 1.038 25 residues pruned to eliminate duplicates Z: 26 12.241 1.742 0.579 0.481 0.880 0.400 CB 1.031 26 residues pruned to eliminate duplicates Z: 7 4.503 1.390 0.773 0.355 1.000 0.333 N 0.873 7 residues pruned to eliminate duplicates Z: 13 6.874 1.705 0.481 0.292 0.833 0.417 CB 1.190 13 residues pruned to eliminate duplicates Z: 6 11.009 1.753 0.771 0.604 1.000 0.600 CA 1.436 6 residues pruned to eliminate duplicates Z: 7 5.639 1.518 0.757 0.506 0.667 0.500 O 1.287 7 residues pruned to eliminate duplicates Z: 16 5.552 1.619 0.499 0.170 0.867 0.400 CB 1.018 13 residues pruned to eliminate duplicates Z: 10 8.929 1.565 0.891 0.567 0.889 0.444 CB 1.060 10 residues pruned to eliminate duplicates Z: 18 15.173 1.919 0.628 0.516 0.824 0.706 CB 1.407 17 residues pruned to eliminate duplicates Z: 8 7.897 1.557 0.507 0.709 0.857 0.571 CA 1.228 9 residues pruned to eliminate duplicates Z: 6 6.500 1.789 0.806 0.393 1.000 0.600 CA 1.008 6 residues pruned to eliminate duplicates Z: 27 20.412 1.862 0.629 0.631 0.962 0.577 CB 1.214 27 residues pruned to eliminate duplicates Z: 19 14.374 1.710 0.311 0.802 1.000 0.778 CA 1.161 19 residues pruned to eliminate duplicates Z: 17 11.802 1.888 0.614 0.377 0.812 0.312 CA 1.359 17 residues pruned to eliminate duplicates Z: 25 14.093 1.790 0.565 0.403 0.875 0.500 CA 1.300 25 residues pruned to eliminate duplicates Z: 24 14.139 1.837 0.597 0.417 0.783 0.435 CA 1.400 24 residues pruned to eliminate duplicates Z: 31 23.031 1.922 0.658 0.502 0.933 0.633 CA 1.411 31 residues pruned to eliminate duplicates Z: 29 18.364 1.839 0.691 0.508 0.821 0.429 CB 1.348 29 residues pruned to eliminate duplicates Z: 31 20.603 1.821 0.671 0.536 0.867 0.500 CA 1.377 31 residues pruned to eliminate duplicates Z: 28 15.029 1.833 0.599 0.428 0.815 0.519 CB 1.306 28 residues pruned to eliminate duplicates Z: 20 15.654 1.804 0.711 0.513 0.842 0.526 CB 1.364 20 residues pruned to eliminate duplicates Z: 19 15.535 1.939 0.714 0.376 0.833 0.389 CB 1.509 19 residues pruned to eliminate duplicates Z: 30 22.052 1.931 0.720 0.473 0.897 0.483 CB 1.413 30 residues pruned to eliminate duplicates Z: 29 14.456 1.827 0.486 0.400 0.929 0.607 CB 1.205 29 residues pruned to eliminate duplicates Z: 11 7.064 1.749 0.762 0.381 0.700 0.600 CB 1.176 11 residues pruned to eliminate duplicates Z: 21 17.823 1.885 0.730 0.480 0.850 0.650 CA 1.467 21 residues pruned to eliminate duplicates Z: 41 21.115 1.889 0.690 0.402 0.875 0.500 CB 1.325 41 residues pruned to eliminate duplicates Z: 37 16.600 1.862 0.579 0.346 0.861 0.472 CB 1.292 37 residues pruned to eliminate duplicates Z: 16 17.312 1.878 0.787 0.602 0.867 0.600 CB 1.394 16 residues pruned to eliminate duplicates Z: 31 23.529 1.912 0.822 0.454 0.933 0.433 CA 1.385 31 residues pruned to eliminate duplicates Z: 6 3.292 1.469 0.217 0.385 1.000 0.800 CA 0.931 6 residues pruned to eliminate duplicates Z: 28 13.739 1.824 0.469 0.429 0.815 0.407 CB 1.304 28 residues pruned to eliminate duplicates Z: 22 15.157 1.918 0.564 0.409 0.857 0.476 CB 1.415 22 residues pruned to eliminate duplicates Z: 21 11.992 1.762 0.507 0.374 0.900 0.450 CB 1.284 21 residues pruned to eliminate duplicates Z: 30 15.388 1.817 0.552 0.374 0.897 0.448 CB 1.293 30 residues pruned to eliminate duplicates Z: 29 11.438 1.815 0.478 0.313 0.821 0.464 CB 1.206 29 residues pruned to eliminate duplicates Z: 41 19.145 1.878 0.619 0.390 0.825 0.500 CB 1.356 41 residues pruned to eliminate duplicates Z: 36 14.101 1.845 0.557 0.273 0.829 0.371 CB 1.295 36 residues pruned to eliminate duplicates Z: 27 14.240 1.858 0.558 0.393 0.885 0.538 CB 1.221 27 residues pruned to eliminate duplicates Z: 39 14.154 1.778 0.468 0.372 0.895 0.526 CB 1.128 56 residues pruned to eliminate duplicates Z: 20 22.031 1.876 0.732 0.709 0.895 0.842 CB 1.438 20 residues pruned to eliminate duplicates Z: 48 24.911 1.737 0.696 0.531 0.915 0.574 CB 1.307 48 residues pruned to eliminate duplicates Z: 20 23.695 1.833 0.930 0.735 0.895 0.579 CB 1.391 20 residues pruned to eliminate duplicates Z: 17 26.552 1.871 1.076 0.868 0.938 0.688 CB 1.333 17 residues pruned to eliminate duplicates Z: 40 20.481 1.793 0.649 0.497 0.872 0.590 CB 1.276 40 residues pruned to eliminate duplicates Z: 16 23.565 1.905 0.925 0.870 0.933 0.733 CB 1.298 16 residues pruned to eliminate duplicates Z: 56 28.863 1.844 0.647 0.549 0.909 0.564 CB 1.344 56 residues pruned to eliminate duplicates Z: 17 25.646 1.894 0.856 0.865 1.000 0.625 CB 1.336 17 residues pruned to eliminate duplicates Z: 17 24.973 1.823 0.921 0.847 1.000 0.625 CB 1.323 17 residues pruned to eliminate duplicates Z: 34 25.558 1.848 0.737 0.684 0.939 0.576 CB 1.245 34 residues pruned to eliminate duplicates Z: 22 22.061 1.848 0.852 0.721 0.905 0.429 CB 1.273 22 residues pruned to eliminate duplicates Z: 40 22.033 1.800 0.658 0.547 0.949 0.564 CB 1.189 40 residues pruned to eliminate duplicates Z: 54 28.025 1.858 0.690 0.551 0.943 0.547 CB 1.236 54 residues pruned to eliminate duplicates Z: 35 23.379 1.814 0.715 0.688 0.912 0.618 CB 1.190 35 residues pruned to eliminate duplicates Z: 34 25.336 1.839 0.754 0.707 0.939 0.636 CB 1.205 34 residues pruned to eliminate duplicates Z: 16 16.349 1.887 0.602 0.649 1.000 0.800 CB 1.215 Z: 6 3.752 1.348 0.202 0.424 1.000 1.000 CA 1.121 6 residues pruned to eliminate duplicates Z: 38 21.466 1.798 0.701 0.629 0.919 0.649 CB 1.112 54 residues pruned to eliminate duplicates Z: 15 13.404 1.909 0.403 0.607 1.000 0.714 CB 1.208 Z: 11 9.965 1.716 0.374 0.629 1.000 0.700 CA 1.184 9 residues pruned to eliminate duplicates Z: 9 10.206 1.592 0.364 0.882 1.000 0.750 CB 1.202 9 residues pruned to eliminate duplicates Z: 9 11.783 1.642 0.510 0.780 1.000 0.750 CB 1.313 9 residues pruned to eliminate duplicates Z: 8 11.873 1.831 0.433 0.785 1.000 0.714 CB 1.331 9 residues pruned to eliminate duplicates Z: 7 11.488 1.920 0.318 0.838 1.000 0.833 CB 1.386 7 residues pruned to eliminate duplicates Z: 17 14.936 1.820 0.822 0.604 0.938 0.750 CB 1.088 17 residues pruned to eliminate duplicates Z: 8 15.815 1.892 0.775 0.822 1.000 0.714 CB 1.346 8 residues pruned to eliminate duplicates Z: 6 2.477 1.263 0.629 0.220 0.800 0.400 CB 0.935 6 residues pruned to eliminate duplicates Z: 8 8.403 1.894 0.102 0.865 1.000 1.000 CB 1.114 8 residues pruned to eliminate duplicates Z: 7 7.099 1.880 0.104 0.713 1.000 0.833 CB 1.151 7 residues pruned to eliminate duplicates Z: 20 14.949 1.912 0.467 0.574 0.842 0.632 CB 1.352 20 residues pruned to eliminate duplicates Z: 34 30.260 1.949 0.831 0.658 0.879 0.636 CB 1.452 34 residues pruned to eliminate duplicates Z: 23 14.301 1.832 0.556 0.498 0.818 0.545 CB 1.309 23 residues pruned to eliminate duplicates Z: 10 4.615 1.463 0.448 0.650 0.889 0.556 CB 0.711 7 residues pruned to eliminate duplicates Z: 16 10.029 1.534 0.341 0.864 1.000 0.800 CB 0.922 16 residues pruned to eliminate duplicates Z: 9 3.512 1.471 0.262 0.631 0.875 0.500 CB 0.676 9 residues pruned to eliminate duplicates Z: 16 10.408 1.553 0.541 0.858 0.867 0.867 CB 0.954 16 residues pruned to eliminate duplicates Z: 15 9.924 1.605 0.578 0.765 0.857 0.571 CB 0.966 15 residues pruned to eliminate duplicates Z: 16 9.386 1.517 0.560 0.734 0.800 0.533 CB 1.037 16 residues pruned to eliminate duplicates Z: 8 8.944 1.738 0.555 0.723 0.857 0.714 CB 1.194 8 residues pruned to eliminate duplicates Z: 17 10.161 1.601 0.467 0.666 0.938 0.562 CB 0.989 16 residues pruned to eliminate duplicates Z: 15 13.298 1.642 0.477 0.891 1.000 0.786 CB 1.053 15 residues pruned to eliminate duplicates Z: 20 10.646 1.532 0.513 0.715 0.947 0.737 CB 0.916 20 residues pruned to eliminate duplicates Z: 17 11.873 1.520 0.707 0.810 0.875 0.625 CB 0.998 17 residues pruned to eliminate duplicates Z: 24 11.253 1.560 0.434 0.671 0.826 0.565 CB 1.084 22 residues pruned to eliminate duplicates Z: 11 14.912 1.698 0.740 0.815 0.900 0.500 CB 1.349 11 residues pruned to eliminate duplicates Z: 6 4.077 1.496 0.116 0.662 1.000 0.200 N 0.940 6 residues pruned to eliminate duplicates Z: 7 2.527 1.582 0.472 0.209 0.667 0.167 CB 0.938 7 residues pruned to eliminate duplicates Z: 8 5.373 1.716 0.470 0.391 0.714 0.571 N 1.266 Z: 9 7.036 1.660 0.397 0.466 1.000 0.625 CB 1.110 4 residues pruned to eliminate duplicates Z: 8 5.667 1.627 0.115 0.477 1.000 0.286 CB 1.210 8 residues pruned to eliminate duplicates Z: 9 6.010 1.622 0.289 0.562 0.875 0.750 CB 1.094 9 residues pruned to eliminate duplicates Z: 12 4.835 1.545 0.308 0.347 0.727 0.364 CA 1.171 9 residues pruned to eliminate duplicates Z: 6 6.111 1.489 0.598 0.787 1.000 0.400 CB 0.893 6 residues pruned to eliminate duplicates Z: 8 3.062 1.283 0.629 0.455 0.714 0.286 CB 0.812 8 residues pruned to eliminate duplicates Z: 18 6.779 1.632 0.344 0.459 0.824 0.529 CB 0.950 11 residues pruned to eliminate duplicates Z: 8 5.025 1.451 0.401 0.634 1.000 0.429 CB 0.824 8 residues pruned to eliminate duplicates Z: 13 4.684 1.550 0.406 0.373 0.667 0.333 CB 1.066 11 residues pruned to eliminate duplicates Z: 10 4.140 1.586 0.307 0.382 0.778 0.333 CB 0.970 10 residues pruned to eliminate duplicates Z: 16 5.692 1.626 0.286 0.376 0.800 0.533 CB 1.003 16 residues pruned to eliminate duplicates Z: 16 6.268 1.664 0.460 0.207 0.733 0.333 CB 1.284 16 residues pruned to eliminate duplicates Z: 12 5.555 1.726 0.273 0.355 0.909 0.455 CB 0.981 13 residues pruned to eliminate duplicates Z: 21 11.000 1.844 0.435 0.421 0.800 0.400 CB 1.261 45 residues pruned to eliminate duplicates Z: 51 28.106 1.860 0.714 0.488 0.880 0.600 CB 1.434 51 residues pruned to eliminate duplicates Z: 17 9.210 1.920 0.195 0.483 0.875 0.688 CB 1.166 17 residues pruned to eliminate duplicates Z: 17 14.047 1.974 0.516 0.509 0.875 0.750 CB 1.329 17 residues pruned to eliminate duplicates Z: 36 23.970 2.001 0.630 0.489 0.829 0.686 CB 1.515 36 residues pruned to eliminate duplicates Z: 16 13.681 1.989 0.349 0.540 0.867 0.600 CB 1.461 16 residues pruned to eliminate duplicates Z: 15 15.370 2.037 0.403 0.527 0.929 0.643 CB 1.508 15 residues pruned to eliminate duplicates Z: 22 7.942 1.784 0.297 0.375 0.762 0.333 CB 1.123 22 residues pruned to eliminate duplicates Z: 18 10.184 1.906 0.412 0.428 0.765 0.588 CB 1.293 18 residues pruned to eliminate duplicates Z: 34 25.190 1.993 0.577 0.496 0.939 0.576 CA 1.490 34 residues pruned to eliminate duplicates Z: 48 28.184 1.941 0.519 0.564 0.915 0.638 CB 1.432 48 residues pruned to eliminate duplicates Z: 23 13.281 1.937 0.510 0.353 0.864 0.591 CB 1.314 23 residues pruned to eliminate duplicates Z: 33 22.267 1.964 0.568 0.484 0.875 0.531 CB 1.485 33 residues pruned to eliminate duplicates Z: 32 23.121 1.993 0.537 0.526 0.871 0.677 CA 1.517 32 residues pruned to eliminate duplicates Z: 35 23.856 1.980 0.657 0.462 0.882 0.529 CB 1.469 35 residues pruned to eliminate duplicates Z: 29 25.762 2.031 0.607 0.528 0.929 0.607 CB 1.562 29 residues pruned to eliminate duplicates Z: 31 27.238 2.005 0.608 0.528 1.000 0.567 CA 1.501 31 residues pruned to eliminate duplicates Z: 35 23.438 2.000 0.563 0.453 0.882 0.588 CB 1.529 35 residues pruned to eliminate duplicates Z: 48 27.714 1.963 0.418 0.562 0.936 0.702 CB 1.461 48 residues pruned to eliminate duplicates Z: 36 21.841 1.873 0.577 0.442 0.914 0.571 CB 1.451 36 residues pruned to eliminate duplicates Z: 48 28.746 1.966 0.481 0.568 0.957 0.681 CB 1.408 48 residues pruned to eliminate duplicates Z: 50 30.247 1.984 0.525 0.579 0.898 0.735 CB 1.474 50 residues pruned to eliminate duplicates Z: 40 22.505 1.936 0.571 0.433 0.897 0.641 CB 1.416 40 residues pruned to eliminate duplicates Z: 40 19.617 1.951 0.605 0.436 0.846 0.564 CB 1.266 40 residues pruned to eliminate duplicates Z: 31 28.459 2.010 0.753 0.538 0.967 0.667 CB 1.469 31 residues pruned to eliminate duplicates Z: 25 18.316 1.860 0.726 0.519 0.875 0.500 CB 1.307 25 residues pruned to eliminate duplicates Z: 11 14.375 1.905 0.858 0.515 1.000 0.600 CB 1.265 11 residues pruned to eliminate duplicates Z: 48 26.170 1.923 0.551 0.518 0.915 0.596 CB 1.375 48 residues pruned to eliminate duplicates Z: 33 20.192 1.849 0.554 0.562 0.875 0.625 CB 1.337 33 residues pruned to eliminate duplicates Z: 18 10.673 1.894 0.572 0.319 0.824 0.588 CB 1.288 18 residues pruned to eliminate duplicates Z: 35 22.816 1.958 0.621 0.439 0.941 0.676 CB 1.395 35 residues pruned to eliminate duplicates Z: 50 27.526 1.939 0.598 0.555 0.878 0.694 CB 1.370 50 residues pruned to eliminate duplicates Z: 46 27.689 1.963 0.600 0.507 0.911 0.667 CA 1.432 46 residues pruned to eliminate duplicates Z: 44 19.554 1.926 0.489 0.362 0.884 0.488 CB 1.366 44 residues pruned to eliminate duplicates Z: 40 21.909 1.953 0.583 0.393 0.897 0.564 CB 1.416 40 residues pruned to eliminate duplicates Z: 44 19.435 1.907 0.554 0.421 0.837 0.535 CB 1.297 44 residues pruned to eliminate duplicates Z: 18 7.100 1.750 0.434 0.276 0.765 0.471 CB 1.157 18 residues pruned to eliminate duplicates Z: 14 18.178 1.926 0.476 0.871 1.000 0.769 CA 1.294 14 residues pruned to eliminate duplicates Z: 49 29.842 1.968 0.617 0.525 0.917 0.667 CB 1.441 49 residues pruned to eliminate duplicates Z: 21 17.038 1.713 0.757 0.684 0.900 0.500 CB 1.188 21 residues pruned to eliminate duplicates Z: 15 23.958 1.921 0.862 0.863 0.929 0.714 CB 1.414 15 residues pruned to eliminate duplicates Z: 17 19.645 1.760 0.894 0.813 0.875 0.688 N 1.283 17 residues pruned to eliminate duplicates Z: 17 21.368 1.767 0.988 0.815 0.875 0.562 CB 1.321 17 residues pruned to eliminate duplicates Z: 50 29.559 1.926 0.689 0.542 0.918 0.735 CB 1.356 50 residues pruned to eliminate duplicates Z: 17 22.520 1.832 1.021 0.824 0.938 0.750 CB 1.225 17 residues pruned to eliminate duplicates Z: 26 16.819 1.842 0.704 0.667 0.800 0.640 CB 1.148 26 residues pruned to eliminate duplicates Z: 23 23.835 1.878 0.955 0.698 0.955 0.500 CB 1.210 23 residues pruned to eliminate duplicates Z: 16 12.910 1.809 0.824 0.541 1.000 0.467 CB 0.971 16 residues pruned to eliminate duplicates Z: 25 19.129 1.831 0.752 0.640 0.917 0.458 CB 1.165 25 residues pruned to eliminate duplicates Z: 15 11.498 1.796 0.543 0.492 0.929 0.571 CB 1.204 15 residues pruned to eliminate duplicates Z: 26 16.277 1.816 0.941 0.592 0.920 0.520 CB 0.919 26 residues pruned to eliminate duplicates Z: 10 9.024 1.809 0.574 0.517 1.000 0.889 CB 1.039 10 residues pruned to eliminate duplicates Z: 35 20.660 1.893 0.594 0.526 0.853 0.676 CB 1.342 35 residues pruned to eliminate duplicates Z: 10 10.241 1.832 0.653 0.598 1.000 0.889 CB 1.027 10 residues pruned to eliminate duplicates Z: 56 28.571 1.884 0.633 0.528 0.945 0.600 CB 1.289 56 residues pruned to eliminate duplicates Z: 7 2.236 1.389 0.113 0.137 0.833 0.500 N 1.112 Z: 6 4.138 1.500 0.296 0.674 0.800 0.600 CB 1.013 8 residues pruned to eliminate duplicates Z: 6 6.859 1.523 0.799 0.524 1.000 0.800 CA 1.093 Z: 6 3.937 1.698 0.184 0.475 1.000 1.000 CB 0.898 4 residues pruned to eliminate duplicates Z: 8 10.230 1.807 0.453 0.532 1.000 0.857 CB 1.427 Z: 6 5.616 1.636 0.747 0.318 0.800 0.400 CA 1.342 6 residues pruned to eliminate duplicates Z: 15 7.542 1.748 0.498 0.254 0.857 0.571 CA 1.191 31 residues pruned to eliminate duplicates Z: 18 5.963 1.631 0.385 0.279 0.706 0.529 CB 1.165 Z: 9 2.552 1.416 0.236 0.433 0.625 0.250 CB 0.884 9 residues pruned to eliminate duplicates Z: 7 3.127 1.572 0.397 0.567 0.667 0.333 CB 0.817 4 residues pruned to eliminate duplicates Z: 6 3.213 1.621 0.748 0.429 0.600 0.200 CB 0.910 6 residues pruned to eliminate duplicates Z: 8 2.502 1.429 0.480 0.371 0.714 0.286 CB 0.719 8 residues pruned to eliminate duplicates Z: 7 2.074 1.429 0.164 0.279 0.833 0.333 CB 0.784 7 residues pruned to eliminate duplicates Z: 6 4.211 1.678 0.374 0.297 1.000 0.400 CA 1.025 6 residues pruned to eliminate duplicates Z: 6 4.607 1.478 0.587 0.594 1.000 0.600 CA 0.802 6 residues pruned to eliminate duplicates Z: 18 7.791 1.746 0.393 0.375 0.765 0.529 CB 1.160 16 residues pruned to eliminate duplicates Z: 7 4.401 1.304 0.418 0.432 1.000 0.500 CB 1.043 Z: 13 8.099 1.697 0.227 0.517 0.917 0.667 CA 1.205 24 residues pruned to eliminate duplicates Z: 6 2.339 1.201 0.518 0.433 0.800 0.800 N 0.769 6 residues pruned to eliminate duplicates Z: 14 10.082 1.779 0.412 0.448 1.000 0.692 CB 1.175 14 residues pruned to eliminate duplicates Z: 7 3.858 1.140 0.785 0.571 1.000 0.833 CA 0.722 7 residues pruned to eliminate duplicates Z: 12 13.785 1.829 0.627 0.772 0.909 0.727 CB 1.207 12 residues pruned to eliminate duplicates Z: 14 12.546 1.847 0.434 0.662 0.846 0.538 CB 1.336 14 residues pruned to eliminate duplicates Z: 13 9.764 1.735 0.328 0.671 0.917 0.667 CB 1.140 13 residues pruned to eliminate duplicates Z: 12 13.351 1.776 0.495 0.769 0.909 0.727 CA 1.314 12 residues pruned to eliminate duplicates Z: 15 13.374 1.771 0.481 0.705 0.857 0.786 CB 1.320 15 residues pruned to eliminate duplicates Z: 17 10.092 1.713 0.424 0.671 0.812 0.500 CB 1.087 17 residues pruned to eliminate duplicates Z: 13 14.506 1.856 0.582 0.696 0.917 0.583 CB 1.300 13 residues pruned to eliminate duplicates Z: 11 17.453 1.920 0.618 0.833 0.900 0.500 CB 1.480 12 residues pruned to eliminate duplicates Z: 12 15.767 1.794 0.599 0.823 1.000 0.818 CB 1.252 11 residues pruned to eliminate duplicates Z: 12 17.240 1.789 0.594 0.866 1.000 0.636 CA 1.334 12 residues pruned to eliminate duplicates Z: 12 15.405 1.721 0.519 0.881 1.000 0.909 CB 1.286 12 residues pruned to eliminate duplicates Z: 6 4.840 1.834 0.160 0.867 1.000 0.800 CB 0.745 6 residues pruned to eliminate duplicates Z: 17 8.784 1.726 0.393 0.662 0.875 0.625 CB 0.898 17 residues pruned to eliminate duplicates Z: 11 8.773 1.709 0.436 0.888 0.900 0.900 CB 0.905 11 residues pruned to eliminate duplicates Z: 26 10.355 1.686 0.427 0.497 0.920 0.600 CB 0.939 24 residues pruned to eliminate duplicates Z: 10 8.143 1.698 0.444 0.899 0.889 0.889 CB 0.890 10 residues pruned to eliminate duplicates Z: 10 8.692 1.784 0.555 0.824 1.000 0.556 CB 0.789 10 residues pruned to eliminate duplicates Z: 17 11.214 1.707 0.659 0.605 0.938 0.625 CB 0.955 17 residues pruned to eliminate duplicates Z: 15 7.799 1.715 0.356 0.559 0.857 0.643 CB 0.988 15 residues pruned to eliminate duplicates Z: 15 8.693 1.646 0.524 0.518 0.857 0.429 CB 1.061 15 residues pruned to eliminate duplicates Z: 13 8.440 1.770 0.442 0.623 0.917 0.833 CB 0.927 13 residues pruned to eliminate duplicates Z: 16 10.247 1.702 0.443 0.636 0.933 0.533 CB 1.017 16 residues pruned to eliminate duplicates Z: 8 4.430 1.647 0.411 0.339 0.857 0.571 CB 1.002 8 residues pruned to eliminate duplicates Z: 16 10.072 1.737 0.452 0.647 1.000 0.800 CB 0.899 16 residues pruned to eliminate duplicates Z: 17 9.456 1.741 0.501 0.622 0.875 0.625 CB 0.921 17 residues pruned to eliminate duplicates Z: 11 17.562 1.826 0.789 0.871 1.000 0.600 CB 1.240 11 residues pruned to eliminate duplicates Z: 13 11.116 1.759 0.597 0.738 0.833 0.667 CB 1.107 13 residues pruned to eliminate duplicates Z: 11 12.761 1.850 0.759 0.687 0.800 0.700 CA 1.305 11 residues pruned to eliminate duplicates Z: 10 6.970 1.640 0.588 0.479 0.889 0.444 CB 1.025 10 residues pruned to eliminate duplicates Z: 12 10.303 1.744 0.445 0.599 0.818 0.455 CB 1.372 12 residues pruned to eliminate duplicates Z: 12 12.884 1.776 0.576 0.787 0.818 0.455 CB 1.319 12 residues pruned to eliminate duplicates Z: 12 11.181 1.738 0.708 0.682 0.818 0.545 CB 1.174 12 residues pruned to eliminate duplicates Z: 12 12.513 1.829 0.817 0.746 0.909 0.727 CB 1.002 12 residues pruned to eliminate duplicates Z: 13 10.813 1.779 0.575 0.634 0.833 0.500 CB 1.180 13 residues pruned to eliminate duplicates Z: 20 5.257 1.607 0.256 0.281 0.789 0.474 CB 0.969 11 residues pruned to eliminate duplicates Z: 8 5.965 1.739 0.238 0.489 0.857 0.143 CB 1.235 8 residues pruned to eliminate duplicates Z: 9 6.807 1.727 0.536 0.550 0.875 0.625 CB 0.987 9 residues pruned to eliminate duplicates Z: 8 6.936 1.809 0.288 0.388 1.000 0.571 CB 1.268 8 residues pruned to eliminate duplicates Z: 8 5.688 1.841 0.168 0.408 1.000 0.286 CB 1.101 8 residues pruned to eliminate duplicates Z: 16 7.275 1.760 0.276 0.292 0.867 0.533 CB 1.219 16 residues pruned to eliminate duplicates Z: 9 3.510 1.425 0.459 0.306 0.750 0.375 CB 0.987 9 residues pruned to eliminate duplicates Z: 10 7.715 1.792 0.413 0.347 1.000 0.556 CB 1.200 9 residues pruned to eliminate duplicates Z: 6 3.379 1.399 0.595 0.424 1.000 0.800 CB 0.733 6 residues pruned to eliminate duplicates Z: 8 7.840 1.809 0.329 0.451 1.000 0.571 CB 1.295 8 residues pruned to eliminate duplicates Z: 10 8.208 1.811 0.411 0.365 1.000 0.667 CB 1.237 10 residues pruned to eliminate duplicates Z: 8 5.957 1.220 0.854 0.536 1.000 0.429 O 0.960 Z: 8 3.641 1.253 0.298 0.459 1.000 0.571 O 0.882 6 residues pruned to eliminate duplicates Z: 7 6.761 1.551 0.575 0.525 1.000 1.000 CB 1.102 7 residues pruned to eliminate duplicates Z: 39 19.385 1.837 0.683 0.510 0.895 0.632 CB 1.126 32 residues pruned to eliminate duplicates Z: 7 8.065 1.865 0.265 0.545 1.000 0.667 CB 1.335 7 residues pruned to eliminate duplicates Z: 19 16.956 2.017 0.420 0.600 0.889 0.667 CB 1.428 19 residues pruned to eliminate duplicates Z: 20 15.408 1.953 0.431 0.482 0.947 0.421 CB 1.360 20 residues pruned to eliminate duplicates Z: 31 18.957 1.936 0.456 0.501 0.933 0.600 CA 1.314 31 residues pruned to eliminate duplicates Z: 20 14.586 1.908 0.563 0.536 0.895 0.526 CB 1.211 20 residues pruned to eliminate duplicates Z: 19 14.599 1.915 0.518 0.546 0.889 0.667 CB 1.274 19 residues pruned to eliminate duplicates Z: 18 15.772 1.999 0.629 0.559 0.824 0.765 CA 1.347 18 residues pruned to eliminate duplicates Z: 16 10.484 1.923 0.372 0.593 0.933 0.733 CA 1.006 16 residues pruned to eliminate duplicates Z: 14 10.692 2.002 0.286 0.636 0.846 0.769 CA 1.198 14 residues pruned to eliminate duplicates Z: 16 14.802 1.925 0.474 0.580 0.933 0.667 CA 1.336 16 residues pruned to eliminate duplicates Z: 20 13.393 1.834 0.614 0.549 0.895 0.579 CB 1.106 20 residues pruned to eliminate duplicates Z: 36 20.871 1.870 0.677 0.453 0.886 0.486 CB 1.332 36 residues pruned to eliminate duplicates Z: 16 14.002 1.921 0.547 0.505 0.867 0.533 CB 1.397 16 residues pruned to eliminate duplicates Z: 33 19.122 1.933 0.539 0.467 0.906 0.469 CB 1.297 33 residues pruned to eliminate duplicates 6 1.729 0.854 0.735 0.320 1.000 0.600 CA 0.637 ? Z: 7 5.723 1.409 0.958 0.439 0.833 0.500 CB 1.082 7 residues pruned to eliminate duplicates Z: 9 6.471 1.479 0.696 0.406 0.875 0.625 CB 1.151 9 residues pruned to eliminate duplicates Z: 10 4.018 1.647 0.301 0.154 0.778 0.444 CB 1.229 10 residues pruned to eliminate duplicates Z: 8 5.430 1.648 0.342 0.337 0.857 0.571 CB 1.293 8 residues pruned to eliminate duplicates Z: 7 3.119 1.638 0.741 0.148 0.667 0.333 CB 1.034 Z: 6 3.795 1.647 0.531 0.231 0.800 0.200 CB 1.152 Z: 7 4.253 1.707 0.241 0.445 0.833 0.000 CB 1.040 6 residues pruned to eliminate duplicates Z: 14 16.950 2.007 0.172 0.837 1.000 1.000 CA 1.494 14 residues pruned to eliminate duplicates Z: 31 16.380 1.814 0.444 0.566 0.900 0.533 CB 1.190 29 residues pruned to eliminate duplicates Z: 16 14.085 1.780 0.296 0.870 0.933 0.667 CB 1.232 16 residues pruned to eliminate duplicates Z: 20 16.719 1.899 0.469 0.729 0.842 0.632 CB 1.329 20 residues pruned to eliminate duplicates Z: 33 13.634 1.807 0.442 0.538 0.781 0.438 CB 1.141 33 residues pruned to eliminate duplicates Z: 32 13.634 1.745 0.538 0.499 0.742 0.387 CB 1.231 32 residues pruned to eliminate duplicates Z: 29 15.797 1.805 0.527 0.531 0.821 0.393 CB 1.279 29 residues pruned to eliminate duplicates Z: 19 17.194 1.898 0.383 0.766 1.000 0.611 CB 1.219 19 residues pruned to eliminate duplicates Z: 40 14.962 1.737 0.509 0.461 0.846 0.385 CB 1.125 38 residues pruned to eliminate duplicates Z: 16 17.241 1.782 0.533 0.891 0.933 0.867 CB 1.255 16 residues pruned to eliminate duplicates Z: 33 16.797 1.797 0.457 0.555 0.875 0.531 CB 1.229 34 residues pruned to eliminate duplicates Z: 16 17.903 1.799 0.447 0.917 0.933 0.800 CB 1.342 16 residues pruned to eliminate duplicates Z: 16 19.521 1.971 0.539 0.769 0.933 0.733 CB 1.403 16 residues pruned to eliminate duplicates Z: 17 18.783 1.912 0.437 0.731 1.000 0.688 CB 1.388 17 residues pruned to eliminate duplicates Z: 23 14.558 1.787 0.459 0.603 0.818 0.500 CB 1.319 23 residues pruned to eliminate duplicates Z: 13 8.981 1.744 0.681 0.543 0.917 0.667 CB 0.925 6 residues pruned to eliminate duplicates Z: 8 10.439 1.549 0.740 0.862 1.000 0.857 CB 1.075 8 residues pruned to eliminate duplicates Z: 8 8.085 1.640 0.603 0.895 1.000 0.857 CB 0.834 7 residues pruned to eliminate duplicates Z: 8 10.575 1.573 0.929 0.854 1.000 0.857 CB 0.973 8 residues pruned to eliminate duplicates Z: 33 24.575 1.762 0.802 0.675 0.875 0.531 CB 1.331 49 residues pruned to eliminate duplicates Z: 6 3.452 1.613 0.270 0.337 0.800 0.400 CB 1.126 6 residues pruned to eliminate duplicates Z: 11 5.242 1.753 0.258 0.374 0.700 0.500 CB 1.229 11 residues pruned to eliminate duplicates Z: 9 7.245 1.770 0.449 0.485 0.875 0.625 CB 1.159 10 residues pruned to eliminate duplicates Z: 6 3.102 1.381 0.290 0.376 1.000 0.400 CB 0.889 6 residues pruned to eliminate duplicates Z: 60 25.377 1.858 0.709 0.483 0.881 0.610 CB 1.200 60 residues pruned to eliminate duplicates Z: 47 35.962 1.963 0.802 0.669 0.935 0.674 CB 1.371 47 residues pruned to eliminate duplicates Z: 30 21.759 1.896 0.598 0.588 0.931 0.793 CB 1.316 30 residues pruned to eliminate duplicates Z: 39 27.795 1.953 0.619 0.542 0.947 0.658 CB 1.445 39 residues pruned to eliminate duplicates Z: 48 33.888 1.960 0.734 0.646 0.936 0.681 CB 1.356 48 residues pruned to eliminate duplicates Z: 48 35.837 1.963 0.819 0.631 0.957 0.660 CB 1.352 48 residues pruned to eliminate duplicates Z: 34 24.647 1.945 0.570 0.579 0.909 0.697 CA 1.432 34 residues pruned to eliminate duplicates Z: 34 23.057 1.952 0.589 0.571 0.879 0.727 CB 1.374 34 residues pruned to eliminate duplicates Z: 83 35.926 1.945 0.756 0.505 0.866 0.585 CB 1.335 83 residues pruned to eliminate duplicates Z: 61 35.194 1.962 0.594 0.579 0.917 0.633 CB 1.469 61 residues pruned to eliminate duplicates Z: 33 27.317 1.995 0.672 0.611 0.906 0.688 CB 1.439 33 residues pruned to eliminate duplicates Z: 22 30.068 2.105 0.808 0.688 1.000 0.762 CB 1.451 22 residues pruned to eliminate duplicates Z: 82 42.199 1.963 0.751 0.539 0.951 0.605 CB 1.381 82 residues pruned to eliminate duplicates Z: 76 42.392 1.972 0.785 0.610 0.960 0.640 CB 1.305 76 residues pruned to eliminate duplicates Z: 39 28.867 1.968 0.689 0.571 0.947 0.632 CB 1.389 39 residues pruned to eliminate duplicates Z: 46 33.139 1.965 0.735 0.672 0.956 0.711 CB 1.294 46 residues pruned to eliminate duplicates Z: 32 33.912 2.037 0.770 0.653 1.000 0.742 CB 1.466 32 residues pruned to eliminate duplicates Z: 74 39.273 1.920 0.859 0.554 0.932 0.507 CB 1.312 74 residues pruned to eliminate duplicates Z: 52 30.243 1.996 0.730 0.592 0.922 0.588 CB 1.219 52 residues pruned to eliminate duplicates Z: 51 34.269 1.927 0.782 0.606 0.940 0.640 CB 1.358 51 residues pruned to eliminate duplicates Z: 62 37.062 1.977 0.765 0.578 0.967 0.656 CB 1.304 62 residues pruned to eliminate duplicates Z: 25 26.953 2.043 0.682 0.661 0.958 0.750 CB 1.439 25 residues pruned to eliminate duplicates Z: 80 31.091 1.934 0.631 0.477 0.924 0.608 CB 1.228 80 residues pruned to eliminate duplicates Z: 61 31.656 1.957 0.671 0.571 0.917 0.600 CB 1.273 61 residues pruned to eliminate duplicates Z: 15 6.615 1.681 0.078 0.476 0.929 0.571 CB 1.076 15 residues pruned to eliminate duplicates Z: 63 32.704 1.959 0.567 0.551 0.919 0.694 CB 1.400 63 residues pruned to eliminate duplicates Z: 54 30.905 1.958 0.768 0.550 0.868 0.547 CB 1.345 54 residues pruned to eliminate duplicates Z: 63 34.865 1.937 0.699 0.590 0.903 0.629 CB 1.367 63 residues pruned to eliminate duplicates Z: 76 36.978 1.944 0.642 0.604 0.907 0.627 CB 1.335 76 residues pruned to eliminate duplicates Z: 52 32.354 1.971 0.696 0.614 0.922 0.588 CB 1.320 52 residues pruned to eliminate duplicates Z: 49 29.181 1.913 0.651 0.562 0.938 0.729 CB 1.339 49 residues pruned to eliminate duplicates Z: 67 25.952 1.856 0.630 0.489 0.894 0.606 CB 1.195 67 residues pruned to eliminate duplicates Z: 49 31.822 1.991 0.729 0.573 0.958 0.500 CB 1.298 49 residues pruned to eliminate duplicates Z: 75 41.875 1.964 0.812 0.600 0.959 0.581 CB 1.296 75 residues pruned to eliminate duplicates Z: 63 33.943 1.977 0.672 0.564 0.903 0.677 CB 1.357 63 residues pruned to eliminate duplicates Z: 64 31.901 1.976 0.664 0.510 0.937 0.556 CB 1.292 64 residues pruned to eliminate duplicates Z: 17 18.154 2.047 0.795 0.564 0.938 0.375 CB 1.238 17 residues pruned to eliminate duplicates Z: 21 15.044 1.968 0.901 0.467 0.800 0.400 CB 1.163 21 residues pruned to eliminate duplicates Z: 60 27.757 1.955 0.649 0.495 0.915 0.508 CB 1.231 60 residues pruned to eliminate duplicates Z: 61 32.645 1.965 0.748 0.567 0.950 0.650 CB 1.210 61 residues pruned to eliminate duplicates Z: 30 15.017 1.836 0.704 0.444 0.759 0.483 CB 1.245 30 residues pruned to eliminate duplicates Z: 25 15.128 1.950 0.747 0.406 0.833 0.333 CB 1.201 25 residues pruned to eliminate duplicates Z: 16 10.457 1.915 0.766 0.407 0.800 0.400 CB 1.100 16 residues pruned to eliminate duplicates Z: 72 32.431 1.916 0.729 0.556 0.901 0.592 CB 1.220 72 residues pruned to eliminate duplicates Z: 19 14.087 1.946 0.865 0.362 0.944 0.389 CB 1.123 19 residues pruned to eliminate duplicates Z: 79 37.614 1.928 0.726 0.555 0.923 0.603 CB 1.313 79 residues pruned to eliminate duplicates Z: 75 36.112 1.967 0.711 0.599 0.905 0.649 CB 1.254 75 residues pruned to eliminate duplicates Z: 77 36.326 1.951 0.694 0.576 0.908 0.579 CB 1.291 77 residues pruned to eliminate duplicates Z: 26 13.059 1.967 0.370 0.381 0.840 0.560 CB 1.309 26 residues pruned to eliminate duplicates Z: 9 10.702 1.984 0.150 0.835 1.000 0.875 CB 1.241 9 residues pruned to eliminate duplicates Z: 59 32.424 1.946 0.675 0.592 0.879 0.690 CB 1.360 59 residues pruned to eliminate duplicates Z: 77 31.823 1.952 0.638 0.446 0.921 0.579 CB 1.310 77 residues pruned to eliminate duplicates Z: 36 18.800 1.960 0.552 0.344 0.943 0.543 CB 1.312 36 residues pruned to eliminate duplicates Z: 31 14.982 1.972 0.594 0.242 0.900 0.467 CB 1.303 31 residues pruned to eliminate duplicates Z: 22 9.608 1.898 0.451 0.327 0.857 0.524 CB 1.074 22 residues pruned to eliminate duplicates Z: 17 10.852 1.954 0.379 0.380 0.938 0.750 CB 1.220 17 residues pruned to eliminate duplicates Z: 31 19.765 2.000 0.563 0.420 0.900 0.700 CB 1.393 37 residues pruned to eliminate duplicates Z: 6 4.509 1.547 1.262 0.292 0.800 0.400 CB 0.910 Z: 35 18.891 1.918 0.544 0.392 0.941 0.647 CB 1.303 35 residues pruned to eliminate duplicates Z: 19 7.650 1.680 0.746 0.363 0.889 0.667 CB 0.802 19 residues pruned to eliminate duplicates Z: 6 4.443 1.390 0.883 0.440 1.000 0.600 CB 0.808 6 residues pruned to eliminate duplicates Z: 10 2.514 1.475 0.466 0.293 0.778 0.556 CB 0.628 10 residues pruned to eliminate duplicates Z: 25 9.647 1.923 0.326 0.292 0.833 0.500 CB 1.171 25 residues pruned to eliminate duplicates Z: 31 16.009 1.924 0.463 0.436 0.867 0.533 CB 1.280 31 residues pruned to eliminate duplicates Z: 31 13.154 1.831 0.485 0.306 0.833 0.467 CA 1.315 31 residues pruned to eliminate duplicates Z: 28 10.861 1.825 0.400 0.279 0.778 0.444 CB 1.351 28 residues pruned to eliminate duplicates Z: 55 26.715 1.918 0.596 0.518 0.870 0.593 CB 1.341 55 residues pruned to eliminate duplicates Z: 26 16.131 1.926 0.548 0.405 0.920 0.480 CB 1.299 26 residues pruned to eliminate duplicates Z: 33 17.308 1.908 0.552 0.459 0.844 0.469 CB 1.276 33 residues pruned to eliminate duplicates Z: 27 13.436 1.899 0.582 0.415 0.769 0.462 CB 1.245 27 residues pruned to eliminate duplicates Z: 31 19.181 1.886 0.731 0.468 0.933 0.533 CB 1.188 31 residues pruned to eliminate duplicates Z: 16 12.362 2.039 0.449 0.457 0.800 0.667 CB 1.410 16 residues pruned to eliminate duplicates Z: 21 14.844 1.875 0.761 0.407 0.800 0.400 CB 1.386 21 residues pruned to eliminate duplicates Z: 42 28.663 1.975 0.683 0.592 0.902 0.707 CB 1.366 42 residues pruned to eliminate duplicates Z: 13 9.605 2.037 0.600 0.435 0.750 0.583 CB 1.213 13 residues pruned to eliminate duplicates Z: 30 15.852 1.937 0.537 0.406 0.862 0.517 CB 1.266 30 residues pruned to eliminate duplicates Z: 26 19.290 2.055 0.502 0.478 0.880 0.520 CB 1.452 26 residues pruned to eliminate duplicates Z: 48 22.917 1.906 0.573 0.510 0.851 0.617 CB 1.297 48 residues pruned to eliminate duplicates Z: 23 17.306 1.927 0.578 0.496 0.955 0.636 CB 1.277 23 residues pruned to eliminate duplicates Z: 19 12.673 2.045 0.681 0.369 0.722 0.500 CB 1.384 19 residues pruned to eliminate duplicates Z: 32 32.432 1.959 0.872 0.569 0.935 0.645 CB 1.588 32 residues pruned to eliminate duplicates Z: 30 27.108 1.937 0.830 0.592 0.897 0.655 CB 1.451 30 residues pruned to eliminate duplicates Z: 33 30.211 1.921 0.798 0.582 0.969 0.688 CB 1.475 33 residues pruned to eliminate duplicates Z: 21 20.963 1.845 0.814 0.660 0.800 0.650 CB 1.510 21 residues pruned to eliminate duplicates Z: 15 29.191 1.991 0.916 0.787 1.000 0.786 CA 1.590 15 residues pruned to eliminate duplicates Z: 10 16.400 1.767 1.128 0.722 0.889 0.444 C 1.339 10 residues pruned to eliminate duplicates Z: 17 29.754 1.950 1.220 0.731 0.938 0.812 CA 1.490 17 residues pruned to eliminate duplicates Z: 18 30.818 1.908 1.123 0.822 0.882 0.824 CB 1.581 18 residues pruned to eliminate duplicates Z: 37 33.288 1.991 0.905 0.614 0.944 0.722 CB 1.390 37 residues pruned to eliminate duplicates Z: 21 23.601 1.961 0.981 0.695 0.850 0.750 CB 1.338 21 residues pruned to eliminate duplicates Z: 18 30.895 1.868 1.099 0.858 0.941 0.824 CA 1.495 18 residues pruned to eliminate duplicates Z: 19 30.173 1.935 1.199 0.848 0.833 0.833 CB 1.488 19 residues pruned to eliminate duplicates Z: 33 30.355 1.926 0.840 0.671 0.906 0.750 CB 1.428 33 residues pruned to eliminate duplicates Z: 17 38.423 1.958 1.317 0.929 0.938 0.812 CB 1.581 17 residues pruned to eliminate duplicates Z: 54 36.494 1.933 0.786 0.588 0.925 0.604 CB 1.445 54 residues pruned to eliminate duplicates Z: 17 33.533 1.921 1.382 0.811 0.938 0.375 CB 1.490 17 residues pruned to eliminate duplicates Z: 35 33.925 1.958 0.956 0.662 0.941 0.676 CB 1.389 35 residues pruned to eliminate duplicates Z: 37 29.122 1.895 0.939 0.596 0.889 0.667 CB 1.357 37 residues pruned to eliminate duplicates Z: 35 33.120 1.923 0.959 0.647 0.941 0.676 CB 1.397 35 residues pruned to eliminate duplicates Z: 54 35.381 1.953 0.748 0.551 0.925 0.660 CB 1.465 54 residues pruned to eliminate duplicates Z: 74 28.014 1.800 0.682 0.487 0.890 0.548 CB 1.232 74 residues pruned to eliminate duplicates Z: 8 6.498 1.600 0.673 0.480 0.857 0.714 O 1.093 6 residues pruned to eliminate duplicates Z: 24 24.368 1.843 0.819 0.694 0.957 0.609 CA 1.327 26 residues pruned to eliminate duplicates Z: 19 20.299 1.884 0.725 0.700 0.944 0.667 CB 1.299 19 residues pruned to eliminate duplicates Z: 23 24.078 1.922 0.741 0.666 0.955 0.727 CB 1.379 23 residues pruned to eliminate duplicates Z: 23 22.670 1.902 0.747 0.707 0.909 0.591 CB 1.326 24 residues pruned to eliminate duplicates Z: 16 25.222 2.021 0.714 0.886 1.000 0.733 CA 1.357 16 residues pruned to eliminate duplicates Z: 16 27.203 2.003 0.852 0.849 1.000 0.733 CB 1.403 16 residues pruned to eliminate duplicates Z: 19 20.683 1.895 0.742 0.782 1.000 0.556 CB 1.152 19 residues pruned to eliminate duplicates Z: 23 22.448 1.917 0.682 0.664 0.909 0.682 CA 1.403 23 residues pruned to eliminate duplicates Z: 22 24.645 1.900 0.730 0.725 1.000 0.810 CB 1.336 23 residues pruned to eliminate duplicates Z: 19 21.113 1.917 0.703 0.751 0.944 0.611 CB 1.290 19 residues pruned to eliminate duplicates Z: 22 27.104 1.958 0.933 0.686 0.952 0.714 CA 1.383 22 residues pruned to eliminate duplicates Z: 30 24.114 1.817 0.710 0.675 0.966 0.690 CA 1.270 36 residues pruned to eliminate duplicates Z: 16 21.117 2.004 0.568 0.851 0.933 0.800 CA 1.376 16 residues pruned to eliminate duplicates Z: 32 22.946 1.863 0.634 0.610 0.968 0.677 CA 1.260 30 residues pruned to eliminate duplicates Z: 17 22.361 1.956 0.535 0.872 1.000 0.688 CA 1.357 17 residues pruned to eliminate duplicates Z: 23 22.892 1.930 0.641 0.728 0.955 0.682 CB 1.315 23 residues pruned to eliminate duplicates Z: 8 2.639 1.521 0.754 0.347 0.571 0.286 N 0.773 8 residues pruned to eliminate duplicates Z: 27 22.909 1.766 0.991 0.638 0.846 0.462 CB 1.327 19 residues pruned to eliminate duplicates Z: 6 3.549 1.606 0.941 0.327 1.000 0.600 CA 0.615 6 residues pruned to eliminate duplicates Z: 11 9.507 1.760 0.676 0.433 0.900 0.400 CA 1.213 11 residues pruned to eliminate duplicates Z: 27 16.832 1.834 0.335 0.659 0.923 0.577 CA 1.260 27 residues pruned to eliminate duplicates Z: 15 12.287 1.813 0.468 0.584 1.000 0.714 CA 1.137 15 residues pruned to eliminate duplicates Z: 28 21.219 1.845 0.433 0.696 1.000 0.704 CB 1.291 28 residues pruned to eliminate duplicates Z: 26 22.371 1.852 0.590 0.702 0.960 0.560 CA 1.317 26 residues pruned to eliminate duplicates Z: 30 19.278 1.788 0.486 0.613 0.931 0.517 CB 1.300 30 residues pruned to eliminate duplicates Z: 28 21.042 1.862 0.558 0.668 0.963 0.667 CA 1.242 28 residues pruned to eliminate duplicates Z: 29 19.054 1.844 0.440 0.625 0.964 0.607 CA 1.250 29 residues pruned to eliminate duplicates Z: 30 24.723 1.841 0.634 0.655 0.966 0.586 CB 1.368 30 residues pruned to eliminate duplicates Z: 27 21.964 1.848 0.777 0.646 0.962 0.692 CA 1.191 27 residues pruned to eliminate duplicates Z: 28 25.114 1.857 0.825 0.660 1.000 0.630 CA 1.230 28 residues pruned to eliminate duplicates Z: 16 15.729 1.898 0.596 0.790 0.867 0.667 CB 1.199 16 residues pruned to eliminate duplicates Z: 30 24.430 1.814 0.749 0.644 0.931 0.552 CB 1.342 30 residues pruned to eliminate duplicates Z: 26 23.129 1.845 0.646 0.705 0.960 0.640 CA 1.318 26 residues pruned to eliminate duplicates Z: 18 17.491 1.834 0.777 0.662 0.941 0.588 CB 1.191 18 residues pruned to eliminate duplicates Z: 28 24.329 1.786 0.687 0.690 1.000 0.519 CB 1.306 28 residues pruned to eliminate duplicates Z: 22 21.711 1.859 0.777 0.674 0.905 0.429 CB 1.350 22 residues pruned to eliminate duplicates Z: 33 22.825 1.838 0.845 0.639 0.906 0.688 CB 1.153 33 residues pruned to eliminate duplicates Z: 27 25.069 1.837 0.863 0.675 0.962 0.500 CB 1.271 27 residues pruned to eliminate duplicates Z: 9 10.162 1.614 0.576 0.803 1.000 0.875 CB 1.084 8 residues pruned to eliminate duplicates Z: 9 8.551 1.558 0.439 0.804 1.000 1.000 CB 1.035 9 residues pruned to eliminate duplicates Z: 8 7.284 1.584 0.433 0.765 1.000 0.714 CB 0.959 8 residues pruned to eliminate duplicates Z: 9 7.273 1.593 0.441 0.829 0.875 0.875 CB 0.963 9 residues pruned to eliminate duplicates Z: 11 5.656 1.536 0.305 0.533 0.900 0.600 CB 0.960 11 residues pruned to eliminate duplicates Z: 9 9.939 1.580 0.812 0.846 1.000 0.375 CB 0.911 9 residues pruned to eliminate duplicates Z: 10 8.208 1.624 0.594 0.775 1.000 0.444 CB 0.829 10 residues pruned to eliminate duplicates Z: 6 5.885 1.604 0.822 0.876 1.000 0.800 CB 0.655 6 residues pruned to eliminate duplicates Z: 12 7.044 1.672 0.167 0.780 1.000 0.636 CB 0.850 12 residues pruned to eliminate duplicates Z: 12 7.167 1.706 0.241 0.751 1.000 0.364 CB 0.816 10 residues pruned to eliminate duplicates Z: 11 10.838 1.620 0.538 0.860 1.000 0.500 CB 1.012 11 residues pruned to eliminate duplicates Z: 9 7.081 1.726 0.474 0.860 1.000 0.750 CB 0.724 9 residues pruned to eliminate duplicates Z: 12 8.509 1.744 0.347 0.685 0.909 0.636 CB 1.014 12 residues pruned to eliminate duplicates Z: 6 2.257 1.781 -0.312 0.603 1.000 0.200 CB 0.747 6 residues pruned to eliminate duplicates Z: 6 2.950 1.815 -0.125 0.624 1.000 0.200 CB 0.739 6 residues pruned to eliminate duplicates Z: 10 6.603 1.817 0.311 0.495 1.000 0.333 CB 0.929 5 residues pruned to eliminate duplicates Z: 9 5.221 1.508 0.431 0.521 0.875 0.500 CB 0.957 9 residues pruned to eliminate duplicates Z: 8 5.765 1.580 0.440 0.468 0.857 0.286 CB 1.154 8 residues pruned to eliminate duplicates Z: 8 3.783 1.565 0.184 0.433 1.000 0.286 CB 0.827 8 residues pruned to eliminate duplicates Z: 10 4.962 1.493 0.366 0.383 0.889 0.444 CB 1.033 10 residues pruned to eliminate duplicates Z: 17 5.697 1.652 0.049 0.375 0.875 0.500 CB 1.074 27 residues pruned to eliminate duplicates Z: 13 5.453 1.638 0.513 0.379 0.833 0.750 CB 0.867 13 residues pruned to eliminate duplicates Z: 18 7.402 1.697 0.459 0.378 0.882 0.706 CB 0.936 18 residues pruned to eliminate duplicates Z: 17 6.827 1.595 0.398 0.342 0.938 0.500 CB 0.970 17 residues pruned to eliminate duplicates Z: 7 3.063 1.567 0.018 0.343 0.833 0.333 CB 1.115 7 residues pruned to eliminate duplicates Z: 13 3.621 1.723 0.125 0.220 0.833 0.500 CB 0.899 13 residues pruned to eliminate duplicates Z: 12 2.995 1.550 0.264 0.153 0.636 0.182 CB 1.109 12 residues pruned to eliminate duplicates Z: 27 10.559 1.791 0.194 0.462 1.000 0.692 CB 1.006 40 residues pruned to eliminate duplicates Z: 28 13.049 1.797 0.329 0.461 1.000 0.667 CB 1.094 28 residues pruned to eliminate duplicates Z: 14 4.748 1.676 0.267 0.295 0.846 0.692 CB 0.922 14 residues pruned to eliminate duplicates Z: 26 13.349 1.835 0.366 0.476 0.960 0.720 CB 1.137 26 residues pruned to eliminate duplicates Z: 25 13.085 1.827 0.399 0.471 1.000 0.792 CB 1.076 25 residues pruned to eliminate duplicates Z: 21 11.807 1.787 0.440 0.487 0.950 0.550 CB 1.094 21 residues pruned to eliminate duplicates Z: 29 12.789 1.809 0.450 0.443 0.929 0.607 CB 1.052 29 residues pruned to eliminate duplicates Z: 25 12.508 1.814 0.378 0.457 0.917 0.500 CB 1.164 25 residues pruned to eliminate duplicates Z: 19 11.332 1.826 0.529 0.440 0.889 0.444 CB 1.145 19 residues pruned to eliminate duplicates Z: 22 11.577 1.819 0.410 0.462 0.905 0.571 CB 1.132 22 residues pruned to eliminate duplicates Z: 24 14.129 1.854 0.477 0.464 0.957 0.696 CB 1.166 24 residues pruned to eliminate duplicates Z: 30 12.164 1.790 0.386 0.441 0.897 0.724 CB 1.079 30 residues pruned to eliminate duplicates Z: 21 11.035 1.799 0.321 0.443 0.950 0.600 CB 1.159 21 residues pruned to eliminate duplicates Z: 25 12.686 1.810 0.518 0.477 0.958 0.667 CB 1.007 25 residues pruned to eliminate duplicates Z: 11 10.394 1.887 0.479 0.409 1.000 0.700 CB 1.296 Z: 13 11.430 1.569 0.412 0.881 1.000 0.917 CB 1.079 13 residues pruned to eliminate duplicates Z: 12 11.617 1.598 0.473 0.760 0.909 0.909 CB 1.299 12 residues pruned to eliminate duplicates Z: 12 11.145 1.640 0.458 0.704 0.909 0.727 CB 1.284 12 residues pruned to eliminate duplicates Z: 11 13.325 1.674 0.533 0.847 1.000 0.800 CB 1.219 11 residues pruned to eliminate duplicates Z: 11 12.339 1.653 0.633 0.779 0.900 0.600 CB 1.256 11 residues pruned to eliminate duplicates Z: 14 11.925 1.539 0.564 0.872 1.000 0.769 CB 1.001 13 residues pruned to eliminate duplicates Z: 12 10.533 1.608 0.413 0.898 1.000 0.818 CB 0.999 12 residues pruned to eliminate duplicates Z: 11 7.614 1.607 0.415 0.621 0.800 0.700 CB 1.181 11 residues pruned to eliminate duplicates Z: 13 12.345 1.576 0.661 0.891 1.000 0.750 CB 0.979 13 residues pruned to eliminate duplicates Z: 10 2.835 1.453 0.138 0.357 0.778 0.444 CA 0.857 10 residues pruned to eliminate duplicates 7 1.981 1.684 -0.037 0.311 0.667 0.333 CB 0.922 ? Z: 27 9.941 1.914 0.291 0.276 0.808 0.346 CB 1.258 27 residues pruned to eliminate duplicates Z: 26 13.799 1.832 0.391 0.445 0.920 0.480 CB 1.245 26 residues pruned to eliminate duplicates Z: 14 7.764 2.028 0.662 0.295 0.769 0.538 CB 1.044 14 residues pruned to eliminate duplicates Z: 17 9.407 1.950 0.784 0.338 0.750 0.500 CB 1.076 17 residues pruned to eliminate duplicates Z: 17 9.340 1.885 0.807 0.290 0.812 0.375 CB 1.068 17 residues pruned to eliminate duplicates Z: 17 9.641 1.921 0.666 0.239 0.812 0.500 CB 1.255 17 residues pruned to eliminate duplicates Z: 13 11.208 2.027 0.749 0.377 0.917 0.833 CB 1.135 13 residues pruned to eliminate duplicates Z: 26 17.324 1.967 0.613 0.513 0.880 0.640 CB 1.225 26 residues pruned to eliminate duplicates Z: 6 2.999 1.809 0.229 0.416 0.800 0.600 CB 0.823 6 residues pruned to eliminate duplicates Z: 39 24.454 1.971 0.677 0.585 0.947 0.737 CB 1.168 38 residues pruned to eliminate duplicates Z: 17 20.902 1.951 0.578 0.863 0.938 0.812 CB 1.329 17 residues pruned to eliminate duplicates Z: 13 15.884 1.835 0.546 0.758 0.917 0.583 CB 1.401 13 residues pruned to eliminate duplicates Z: 28 26.207 2.060 0.803 0.643 0.926 0.815 CB 1.282 29 residues pruned to eliminate duplicates Z: 16 24.888 1.922 0.755 0.864 1.000 0.933 CA 1.397 16 residues pruned to eliminate duplicates Z: 29 23.897 2.042 0.761 0.617 0.929 0.679 CB 1.210 29 residues pruned to eliminate duplicates Z: 16 21.433 1.909 0.610 0.854 1.000 0.733 CA 1.330 16 residues pruned to eliminate duplicates Z: 20 20.549 1.951 0.624 0.676 0.947 0.632 CB 1.335 20 residues pruned to eliminate duplicates Z: 29 17.962 2.045 0.464 0.548 0.893 0.750 CB 1.212 29 residues pruned to eliminate duplicates Z: 51 25.738 1.912 0.597 0.514 0.900 0.480 CB 1.306 117 residues pruned to eliminate duplicates Z: 18 23.024 1.995 0.862 0.759 0.882 0.824 CA 1.353 Z: 15 20.509 1.950 0.581 0.908 0.929 0.786 CB 1.359 14 residues pruned to eliminate duplicates Z: 16 15.253 1.857 0.528 0.814 0.867 0.667 CB 1.219 16 residues pruned to eliminate duplicates Z: 18 25.195 2.065 0.525 0.854 1.000 0.882 CB 1.433 18 residues pruned to eliminate duplicates Z: 16 19.413 1.874 0.825 0.853 0.867 0.733 CA 1.249 16 residues pruned to eliminate duplicates Z: 32 20.839 1.907 0.779 0.587 0.903 0.613 CB 1.124 21 residues pruned to eliminate duplicates 976 residues left after pruning, divided into chains as follows: A: 11 B: 7 C: 9 D: 12 E: 7 F: 8 G: 6 H: 8 I: 9 J: 11 K: 11 L: 23 M: 12 N: 15 O: 28 P: 16 Q: 11 R: 25 S: 12 T: 16 U: 15 V: 16 W: 12 X: 8 Y: 38 Z: 35 Z: 48 Z: 11 Z: 175 Z: 116 Z: 32 Z: 144 Z: 10 Z: 17 Z: 12 Z: 30 CC for partial structure against native data = 33.38 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.395, Connect. = 0.703 for dens.mod. cycle 1 = 0.300, Contrast = 0.455, Connect. = 0.725 for dens.mod. cycle 2 = 0.300, Contrast = 0.545, Connect. = 0.755 for dens.mod. cycle 3 = 0.300, Contrast = 0.557, Connect. = 0.757 for dens.mod. cycle 4 = 0.300, Contrast = 0.570, Connect. = 0.760 for dens.mod. cycle 5 = 0.300, Contrast = 0.577, Connect. = 0.762 for dens.mod. cycle 6 = 0.300, Contrast = 0.583, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.587, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.590, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.592, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4629 peaks > 0.5 sigma used to seed fragment search Space for about 1487 unique residues taking solvent into account 1181 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 16.075 1.964 0.670 0.887 0.923 0.692 CB 1.061 B: 18 17.011 1.862 0.554 0.786 0.941 0.706 CB 1.177 C: 8 9.474 1.698 0.560 0.817 1.000 0.714 CB 1.026 D: 8 6.411 1.747 0.440 0.467 0.714 0.286 N 1.395 E: 15 25.582 1.934 0.772 0.911 1.000 0.857 CB 1.414 F: 10 19.244 1.921 0.577 0.874 1.000 0.778 CB 1.541 G: 12 15.172 1.920 0.567 0.809 1.000 0.545 CA 1.161 H: 15 18.245 1.920 0.384 0.833 0.929 0.714 CA 1.483 I: 13 20.530 1.892 0.767 0.856 1.000 0.417 CB 1.307 J: 14 16.913 1.961 0.524 0.901 1.000 0.769 CB 1.120 14 residues pruned to eliminate duplicates K: 15 13.342 1.745 0.470 0.854 0.929 0.643 CB 1.106 16 residues pruned to eliminate duplicates L: 14 13.654 1.802 0.729 0.766 0.846 0.615 CB 1.134 14 residues pruned to eliminate duplicates M: 10 17.278 2.070 0.536 0.797 1.000 0.778 CB 1.397 N: 12 15.762 1.847 0.583 0.762 1.000 0.727 CB 1.287 12 residues pruned to eliminate duplicates O: 28 15.801 1.921 0.589 0.401 0.778 0.444 CB 1.422 P: 13 15.439 1.781 0.581 0.840 0.917 0.750 CA 1.289 Q: 17 19.204 1.710 0.947 0.895 0.875 0.688 CB 1.181 13 residues pruned to eliminate duplicates R: 18 12.776 1.716 0.488 0.690 0.882 0.706 CB 1.156 S: 9 15.430 1.867 0.675 0.864 1.000 0.625 CB 1.279 T: 18 29.614 1.869 1.063 0.899 0.941 0.765 CB 1.415 U: 15 5.926 1.660 0.308 0.240 0.929 0.357 CB 1.061 V: 17 28.182 1.891 0.961 0.919 0.938 0.938 CA 1.428 17 residues pruned to eliminate duplicates W: 8 14.896 1.944 0.707 0.864 1.000 1.000 CB 1.244 8 residues pruned to eliminate duplicates X: 9 9.363 1.707 0.463 0.546 0.875 0.500 CB 1.447 Y: 15 21.611 1.933 0.877 0.852 0.929 0.786 CB 1.269 Z: 16 14.531 1.740 0.372 0.885 0.933 0.867 CB 1.216 11 residues pruned to eliminate duplicates Z: 17 29.850 1.877 1.037 0.809 1.000 0.875 CA 1.491 18 residues pruned to eliminate duplicates Z: 17 28.417 1.877 0.870 0.952 1.000 1.000 CB 1.394 15 residues pruned to eliminate duplicates Z: 6 5.322 1.955 0.130 0.483 0.800 0.600 CA 1.369 Z: 16 21.077 1.906 0.696 0.934 0.933 0.800 CB 1.258 16 residues pruned to eliminate duplicates Z: 16 21.112 1.833 0.503 0.918 0.933 0.867 CA 1.494 16 residues pruned to eliminate duplicates Z: 17 16.115 1.869 0.476 0.764 1.000 0.688 CA 1.156 17 residues pruned to eliminate duplicates Z: 26 8.447 1.670 0.331 0.394 0.840 0.520 CB 1.012 Z: 19 20.794 1.913 0.521 0.812 0.944 0.500 CA 1.359 Z: 18 29.838 1.835 1.094 0.887 0.941 0.706 CB 1.443 18 residues pruned to eliminate duplicates Z: 7 6.616 1.658 0.292 0.891 1.000 1.000 CB 0.906 7 residues pruned to eliminate duplicates Z: 11 4.026 1.637 -0.017 0.342 0.800 0.500 CB 1.174 11 residues pruned to eliminate duplicates Z: 19 12.835 1.745 0.281 0.672 0.944 0.611 CB 1.223 18 residues pruned to eliminate duplicates Z: 18 17.410 1.685 0.573 0.782 1.000 0.824 CB 1.243 Z: 12 5.926 1.730 0.395 0.323 0.818 0.364 CB 1.099 12 residues pruned to eliminate duplicates Z: 10 16.594 1.805 0.690 0.858 1.000 0.778 CB 1.336 Z: 6 7.157 1.691 0.605 0.570 0.800 0.400 N 1.378 Z: 12 12.870 1.970 0.411 0.745 1.000 0.727 CA 1.121 13 residues pruned to eliminate duplicates Z: 16 11.993 1.749 0.613 0.855 0.800 0.467 CB 1.012 16 residues pruned to eliminate duplicates Z: 12 22.749 1.890 0.800 0.863 1.000 0.727 CA 1.480 Z: 12 19.891 1.780 0.721 0.844 1.000 0.818 CA 1.456 Z: 15 28.160 1.921 1.144 0.836 0.929 0.714 CB 1.473 15 residues pruned to eliminate duplicates Z: 13 22.063 1.930 0.757 0.922 1.000 0.917 CA 1.321 12 residues pruned to eliminate duplicates Z: 10 14.586 1.776 0.452 0.866 1.000 0.778 CB 1.379 9 residues pruned to eliminate duplicates Z: 30 23.840 1.988 0.676 0.566 0.862 0.621 CB 1.446 32 residues pruned to eliminate duplicates Z: 17 19.515 1.771 0.746 0.849 0.938 0.750 CB 1.248 17 residues pruned to eliminate duplicates Z: 13 4.071 1.613 0.146 0.372 0.750 0.500 CB 0.973 Z: 17 21.444 1.800 0.708 0.894 1.000 0.688 CB 1.251 16 residues pruned to eliminate duplicates Z: 15 27.809 1.867 0.945 0.903 0.929 0.714 CA 1.571 14 residues pruned to eliminate duplicates Z: 7 4.925 1.694 0.085 0.637 0.833 0.500 CA 1.155 Z: 57 35.323 1.997 0.584 0.567 0.964 0.679 CB 1.449 52 residues pruned to eliminate duplicates Z: 11 16.461 2.083 0.418 0.841 1.000 0.900 CA 1.314 11 residues pruned to eliminate duplicates Z: 13 9.166 1.607 0.588 0.828 1.000 0.500 CB 0.781 Z: 16 29.485 1.971 0.949 0.843 1.000 0.867 CA 1.476 19 residues pruned to eliminate duplicates Z: 9 16.033 1.829 0.577 0.877 1.000 0.875 CB 1.427 9 residues pruned to eliminate duplicates Z: 16 18.184 1.839 0.387 0.938 1.000 1.000 CA 1.280 16 residues pruned to eliminate duplicates Z: 20 11.273 1.714 0.407 0.808 0.947 0.842 CB 0.866 16 residues pruned to eliminate duplicates Z: 16 12.308 1.894 0.455 0.545 1.000 0.600 CB 1.103 14 residues pruned to eliminate duplicates Z: 15 16.020 1.635 0.503 0.895 1.000 0.643 CB 1.249 Z: 9 15.460 1.845 0.617 0.893 1.000 1.000 CB 1.315 9 residues pruned to eliminate duplicates Z: 17 23.197 1.866 0.630 0.891 0.938 0.875 CA 1.462 17 residues pruned to eliminate duplicates Z: 6 4.931 1.458 0.688 0.661 0.800 0.400 CA 0.965 Z: 18 20.627 1.869 0.688 0.765 0.941 0.824 CA 1.332 18 residues pruned to eliminate duplicates Z: 13 12.495 1.771 0.495 0.712 1.000 0.833 CA 1.125 13 residues pruned to eliminate duplicates Z: 17 21.076 1.955 0.515 0.837 0.938 0.875 CA 1.419 17 residues pruned to eliminate duplicates Z: 10 13.132 1.794 0.461 0.843 0.889 0.667 CA 1.399 10 residues pruned to eliminate duplicates Z: 39 19.059 1.893 0.515 0.478 0.868 0.579 CA 1.270 23 residues pruned to eliminate duplicates Z: 6 8.388 1.595 0.915 0.851 1.000 0.800 CA 0.909 Z: 10 18.502 2.042 0.532 0.814 1.000 0.778 CB 1.500 10 residues pruned to eliminate duplicates Z: 17 12.347 1.673 0.750 0.709 0.812 0.500 CB 1.074 17 residues pruned to eliminate duplicates Z: 45 31.456 1.876 0.612 0.641 0.932 0.614 CB 1.475 33 residues pruned to eliminate duplicates Z: 11 20.788 2.129 0.600 0.907 1.000 0.700 CB 1.372 11 residues pruned to eliminate duplicates Z: 15 17.825 1.871 0.363 0.885 1.000 0.857 CA 1.349 15 residues pruned to eliminate duplicates Z: 19 18.949 1.903 0.552 0.779 0.833 0.611 CA 1.418 19 residues pruned to eliminate duplicates Z: 12 4.065 1.679 0.316 0.280 0.909 0.455 CB 0.782 12 residues pruned to eliminate duplicates Z: 15 14.809 1.786 0.377 0.863 0.929 0.857 CB 1.272 15 residues pruned to eliminate duplicates Z: 14 20.957 1.788 0.675 0.898 1.000 0.846 CB 1.389 14 residues pruned to eliminate duplicates Z: 36 18.359 1.932 0.490 0.542 0.943 0.629 CB 1.097 30 residues pruned to eliminate duplicates Z: 38 23.390 1.909 0.567 0.603 0.919 0.595 CB 1.268 16 residues pruned to eliminate duplicates Z: 8 2.474 1.648 0.170 0.206 0.714 0.571 CB 0.962 Z: 18 12.349 1.963 0.504 0.326 0.882 0.588 CB 1.392 18 residues pruned to eliminate duplicates Z: 7 5.692 1.760 0.454 0.597 1.000 0.500 CB 0.827 Z: 16 7.972 1.705 0.479 0.355 0.867 0.533 CB 1.101 16 residues pruned to eliminate duplicates Z: 14 18.173 1.961 0.540 0.887 0.923 0.769 CB 1.304 13 residues pruned to eliminate duplicates Z: 12 8.373 1.727 0.555 0.578 0.818 0.636 CB 1.066 12 residues pruned to eliminate duplicates Z: 10 7.335 1.620 0.593 0.802 0.889 0.889 CB 0.819 10 residues pruned to eliminate duplicates Z: 9 8.344 1.608 0.400 0.905 1.000 0.750 CA 0.932 Z: 16 20.881 1.916 0.611 0.909 1.000 0.933 CB 1.240 16 residues pruned to eliminate duplicates Z: 9 13.337 1.665 0.733 0.799 0.875 0.750 CB 1.438 Z: 6 2.246 1.590 -0.022 0.294 0.600 0.600 N 1.357 Z: 16 24.485 2.004 0.875 0.850 0.867 0.800 CA 1.438 16 residues pruned to eliminate duplicates Z: 15 21.688 1.896 0.579 0.854 0.929 0.643 CA 1.541 15 residues pruned to eliminate duplicates Z: 17 27.786 1.873 0.788 0.885 1.000 0.750 CA 1.498 17 residues pruned to eliminate duplicates Z: 7 3.234 1.642 0.483 0.286 0.500 0.500 CB 1.380 Z: 12 10.977 1.695 0.491 0.834 1.000 0.636 CB 0.982 10 residues pruned to eliminate duplicates Z: 15 19.148 1.971 0.532 0.800 1.000 0.643 CA 1.304 18 residues pruned to eliminate duplicates Z: 18 30.951 1.848 0.987 0.906 1.000 0.824 CB 1.454 18 residues pruned to eliminate duplicates Z: 20 11.950 1.695 0.244 0.715 0.947 0.632 CB 1.129 20 residues pruned to eliminate duplicates Z: 22 19.520 1.883 0.566 0.756 0.905 0.667 CB 1.271 20 residues pruned to eliminate duplicates Z: 15 16.811 1.716 0.632 0.871 1.000 0.929 CB 1.170 7 residues pruned to eliminate duplicates Z: 21 12.612 1.900 0.513 0.400 0.850 0.550 CB 1.282 Z: 11 5.191 1.650 0.238 0.253 0.800 0.600 CA 1.334 11 residues pruned to eliminate duplicates Z: 16 35.708 1.944 0.978 0.938 1.000 0.933 CA 1.667 16 residues pruned to eliminate duplicates Z: 11 6.971 1.703 0.269 0.426 0.800 0.500 CB 1.377 6 residues pruned to eliminate duplicates Z: 15 17.618 1.803 0.523 0.882 0.929 0.786 CB 1.336 14 residues pruned to eliminate duplicates Z: 14 16.907 1.620 0.571 0.927 1.000 0.846 CA 1.291 15 residues pruned to eliminate duplicates Z: 10 11.612 1.786 0.400 0.687 1.000 0.778 CB 1.304 10 residues pruned to eliminate duplicates Z: 9 5.583 1.637 0.544 0.376 0.875 0.500 N 1.018 9 residues pruned to eliminate duplicates Z: 16 15.663 1.744 0.385 0.877 0.933 0.800 CB 1.302 15 residues pruned to eliminate duplicates Z: 12 18.303 1.949 0.480 0.902 1.000 1.000 CA 1.364 14 residues pruned to eliminate duplicates Z: 12 14.244 1.873 0.461 0.841 0.909 0.909 CA 1.288 11 residues pruned to eliminate duplicates Z: 15 15.298 1.848 0.298 0.880 0.929 0.714 CA 1.330 16 residues pruned to eliminate duplicates Z: 8 9.145 1.817 0.678 0.851 0.857 0.714 CB 0.979 8 residues pruned to eliminate duplicates Z: 17 17.033 2.003 0.473 0.517 1.000 0.688 CA 1.418 8 residues pruned to eliminate duplicates Z: 11 6.264 1.863 0.214 0.457 0.800 0.500 CB 1.143 13 residues pruned to eliminate duplicates Z: 41 28.606 1.902 0.611 0.632 0.950 0.550 CB 1.372 40 residues pruned to eliminate duplicates Z: 11 20.243 1.989 0.645 0.790 1.000 0.900 CB 1.517 10 residues pruned to eliminate duplicates Z: 11 21.176 2.057 0.802 0.868 1.000 0.700 CB 1.320 12 residues pruned to eliminate duplicates Z: 11 12.348 1.772 0.544 0.788 0.800 0.700 CB 1.386 11 residues pruned to eliminate duplicates Z: 9 18.132 1.815 0.855 0.872 1.000 0.625 CA 1.388 Z: 16 24.031 1.841 0.900 0.915 1.000 0.867 CA 1.253 16 residues pruned to eliminate duplicates Z: 15 6.648 1.629 0.454 0.469 0.643 0.500 N 1.203 15 residues pruned to eliminate duplicates Z: 16 27.634 1.839 0.809 0.944 1.000 0.867 CA 1.485 16 residues pruned to eliminate duplicates Z: 12 24.431 1.948 0.834 0.923 1.000 0.818 CA 1.449 12 residues pruned to eliminate duplicates Z: 7 3.813 1.632 0.459 0.501 0.833 0.500 N 0.783 12 residues pruned to eliminate duplicates Z: 16 34.060 1.926 1.130 0.885 1.000 0.867 CB 1.548 16 residues pruned to eliminate duplicates Z: 9 4.291 1.745 0.294 0.422 0.750 0.625 CB 0.972 Z: 16 21.273 1.906 0.822 0.936 0.933 0.800 CA 1.180 16 residues pruned to eliminate duplicates Z: 16 17.584 1.877 0.385 0.874 0.933 0.800 CA 1.362 16 residues pruned to eliminate duplicates Z: 8 12.611 1.783 0.580 0.866 1.000 0.857 CA 1.239 8 residues pruned to eliminate duplicates Z: 11 13.690 1.646 0.628 0.852 0.900 0.700 CB 1.328 11 residues pruned to eliminate duplicates Z: 9 5.173 1.897 0.049 0.503 0.750 0.625 CB 1.221 Z: 17 25.367 1.853 0.969 0.901 0.938 0.875 CA 1.323 17 residues pruned to eliminate duplicates Z: 10 17.355 1.797 0.654 0.881 1.000 0.889 CB 1.409 10 residues pruned to eliminate duplicates Z: 12 6.348 1.669 0.311 0.349 0.909 0.636 CB 1.134 12 residues pruned to eliminate duplicates Z: 14 10.993 1.744 0.619 0.435 0.846 0.462 CB 1.365 8 residues pruned to eliminate duplicates Z: 12 20.443 1.880 0.839 0.838 1.000 0.909 CB 1.332 11 residues pruned to eliminate duplicates Z: 9 6.258 1.635 0.579 0.257 0.875 0.750 CB 1.294 Z: 9 13.133 1.600 0.768 0.873 1.000 0.875 CB 1.195 8 residues pruned to eliminate duplicates Z: 14 17.274 1.766 0.863 0.830 0.846 0.615 CA 1.294 12 residues pruned to eliminate duplicates Z: 13 14.550 1.939 0.367 0.852 1.000 0.583 CB 1.172 13 residues pruned to eliminate duplicates Z: 16 23.196 1.914 0.692 0.903 1.000 0.733 CA 1.319 14 residues pruned to eliminate duplicates Z: 13 21.804 1.927 0.742 0.900 1.000 0.667 CA 1.339 13 residues pruned to eliminate duplicates Z: 8 7.816 1.671 0.679 0.817 0.857 0.714 CB 0.933 8 residues pruned to eliminate duplicates Z: 14 13.147 1.730 0.803 0.765 0.692 0.538 CB 1.335 13 residues pruned to eliminate duplicates Z: 12 16.526 1.711 0.752 0.891 1.000 0.727 CB 1.194 11 residues pruned to eliminate duplicates Z: 12 21.317 1.932 0.691 0.872 1.000 0.636 CA 1.433 12 residues pruned to eliminate duplicates Z: 7 3.922 1.680 0.107 0.375 0.833 0.500 CA 1.180 7 residues pruned to eliminate duplicates Z: 13 8.581 1.672 0.450 0.826 0.833 0.667 CB 0.925 Z: 16 16.581 1.743 0.708 0.875 1.000 0.867 CB 1.046 16 residues pruned to eliminate duplicates Z: 17 33.284 1.918 1.167 0.896 0.938 0.875 CA 1.529 17 residues pruned to eliminate duplicates Z: 15 14.949 1.856 0.362 0.869 1.000 0.929 CB 1.155 15 residues pruned to eliminate duplicates Z: 10 22.177 2.069 0.707 0.817 1.000 0.667 CB 1.590 10 residues pruned to eliminate duplicates Z: 31 17.992 1.739 0.691 0.541 0.900 0.267 CB 1.192 16 residues pruned to eliminate duplicates Z: 8 12.126 1.866 0.797 0.838 0.857 0.714 CB 1.192 8 residues pruned to eliminate duplicates Z: 25 19.024 1.869 0.647 0.446 1.000 0.583 CB 1.333 29 residues pruned to eliminate duplicates Z: 17 31.030 1.874 1.068 0.907 0.938 0.875 CA 1.517 17 residues pruned to eliminate duplicates Z: 10 5.117 1.736 0.089 0.518 0.889 0.444 CB 0.998 Z: 8 9.626 1.647 0.779 0.879 1.000 0.857 CB 0.901 8 residues pruned to eliminate duplicates Z: 60 24.410 1.863 0.632 0.499 0.847 0.559 CB 1.234 60 residues pruned to eliminate duplicates Z: 16 39.211 1.912 1.288 0.929 1.000 0.733 CB 1.620 16 residues pruned to eliminate duplicates Z: 8 5.559 1.454 0.913 0.830 0.714 0.286 N 0.795 8 residues pruned to eliminate duplicates Z: 55 19.739 1.842 0.580 0.442 0.852 0.500 CB 1.150 49 residues pruned to eliminate duplicates Z: 7 14.385 1.706 0.827 0.859 1.000 0.500 CA 1.387 7 residues pruned to eliminate duplicates Z: 16 16.362 1.880 0.807 0.753 0.867 0.600 CB 1.145 14 residues pruned to eliminate duplicates Z: 23 14.293 1.906 0.468 0.685 0.864 0.636 CB 1.064 23 residues pruned to eliminate duplicates Z: 15 23.641 1.815 0.863 0.866 1.000 0.786 N 1.368 15 residues pruned to eliminate duplicates Z: 9 3.122 1.768 0.314 0.296 0.500 0.500 CB 1.193 Z: 12 15.515 1.930 0.544 0.857 0.909 0.636 CA 1.273 12 residues pruned to eliminate duplicates Z: 10 5.060 1.550 0.348 0.372 0.889 0.556 CA 1.042 10 residues pruned to eliminate duplicates Z: 16 17.968 1.741 0.530 0.914 1.000 0.800 CB 1.231 16 residues pruned to eliminate duplicates Z: 17 30.086 1.867 0.962 0.927 1.000 0.875 CB 1.439 17 residues pruned to eliminate duplicates Z: 18 20.980 2.015 0.606 0.805 0.882 0.765 CA 1.366 18 residues pruned to eliminate duplicates Z: 17 14.933 1.952 0.454 0.639 0.938 0.750 CA 1.232 18 residues pruned to eliminate duplicates Z: 12 14.802 1.711 0.631 0.863 1.000 0.909 CB 1.173 12 residues pruned to eliminate duplicates Z: 16 23.067 1.802 0.867 0.919 1.000 0.667 CA 1.247 16 residues pruned to eliminate duplicates Z: 7 6.514 1.741 0.859 0.652 0.667 0.500 CB 1.070 Z: 14 19.218 1.683 0.584 0.932 1.000 0.692 CA 1.397 14 residues pruned to eliminate duplicates Z: 17 15.678 1.869 0.450 0.757 0.938 0.688 CA 1.227 17 residues pruned to eliminate duplicates Z: 13 14.720 1.606 0.811 0.854 0.917 0.750 CB 1.177 12 residues pruned to eliminate duplicates Z: 14 18.609 1.777 0.684 0.897 1.000 0.846 CB 1.235 14 residues pruned to eliminate duplicates Z: 6 10.902 1.910 0.314 0.773 1.000 0.600 N 1.525 Z: 10 10.235 1.686 0.536 0.833 1.000 0.778 CA 0.988 Z: 11 9.975 1.555 0.353 0.750 0.900 0.600 CA 1.332 11 residues pruned to eliminate duplicates Z: 9 10.762 1.702 0.278 0.811 1.000 1.000 CB 1.333 Z: 12 4.888 1.625 0.361 0.198 1.000 0.545 CA 0.954 Z: 9 13.070 1.660 0.589 0.845 1.000 0.625 CB 1.303 9 residues pruned to eliminate duplicates Z: 8 12.007 1.867 0.502 0.696 1.000 0.857 CA 1.354 8 residues pruned to eliminate duplicates Z: 16 22.253 1.922 0.598 0.922 1.000 0.800 CB 1.315 16 residues pruned to eliminate duplicates Z: 16 19.397 1.991 0.458 0.855 0.933 0.867 CA 1.364 16 residues pruned to eliminate duplicates Z: 17 15.484 1.740 0.440 0.833 1.000 0.875 CB 1.159 17 residues pruned to eliminate duplicates Z: 7 4.052 1.659 0.029 0.409 0.833 0.500 CB 1.278 Z: 15 21.383 1.997 0.676 0.780 1.000 0.643 CA 1.334 17 residues pruned to eliminate duplicates Z: 13 8.896 1.614 0.439 0.859 0.917 0.583 CB 0.887 12 residues pruned to eliminate duplicates Z: 15 11.605 1.915 0.402 0.523 0.929 0.643 CA 1.216 21 residues pruned to eliminate duplicates Z: 17 24.127 1.990 0.563 0.796 1.000 0.750 CA 1.497 17 residues pruned to eliminate duplicates Z: 9 9.561 1.753 0.424 0.664 1.000 0.750 CB 1.164 9 residues pruned to eliminate duplicates Z: 11 15.411 1.824 0.320 0.830 1.000 0.700 CA 1.523 11 residues pruned to eliminate duplicates Z: 17 39.174 1.909 1.243 0.931 1.000 0.812 CB 1.598 17 residues pruned to eliminate duplicates Z: 7 3.167 1.398 0.222 0.367 0.833 0.500 CB 1.048 Z: 15 22.625 1.879 0.754 0.911 1.000 0.714 CB 1.300 15 residues pruned to eliminate duplicates Z: 13 17.475 1.932 0.557 0.882 0.917 0.833 CA 1.325 13 residues pruned to eliminate duplicates Z: 8 7.109 1.825 0.542 0.507 0.714 0.571 N 1.327 Z: 6 4.710 1.535 0.992 0.834 1.000 0.800 CB 0.516 Z: 16 17.865 1.790 0.505 0.921 1.000 1.000 CA 1.205 16 residues pruned to eliminate duplicates Z: 7 7.418 1.680 0.441 0.885 0.833 0.833 CA 1.084 7 residues pruned to eliminate duplicates Z: 20 10.658 1.738 0.451 0.545 0.895 0.684 CB 1.037 Z: 35 16.652 1.867 0.498 0.412 0.882 0.529 CB 1.269 26 residues pruned to eliminate duplicates Z: 28 7.549 1.615 0.460 0.314 0.778 0.222 CB 0.973 28 residues pruned to eliminate duplicates Z: 9 8.508 1.767 0.280 0.453 1.000 0.625 CA 1.396 9 residues pruned to eliminate duplicates Z: 26 11.316 1.684 0.334 0.473 0.960 0.600 CB 1.078 9 residues pruned to eliminate duplicates Z: 13 12.184 1.639 0.413 0.836 0.917 0.750 CB 1.241 13 residues pruned to eliminate duplicates Z: 15 17.676 1.880 0.591 0.860 0.929 0.857 CB 1.251 15 residues pruned to eliminate duplicates Z: 9 7.246 1.594 0.614 0.857 0.875 0.750 CA 0.839 9 residues pruned to eliminate duplicates Z: 10 7.243 1.656 0.356 0.743 1.000 0.778 CB 0.865 11 residues pruned to eliminate duplicates Z: 9 9.136 1.741 0.425 0.854 1.000 1.000 CB 0.962 10 residues pruned to eliminate duplicates Z: 15 24.876 1.897 0.915 0.927 1.000 0.786 CA 1.283 15 residues pruned to eliminate duplicates Z: 11 13.249 1.761 0.629 0.861 0.900 0.700 CB 1.193 11 residues pruned to eliminate duplicates Z: 6 8.705 1.636 0.812 0.747 1.000 0.600 CB 1.053 6 residues pruned to eliminate duplicates Z: 21 17.340 1.881 0.600 0.701 0.800 0.500 CA 1.341 21 residues pruned to eliminate duplicates Z: 11 2.334 1.570 0.400 0.252 0.700 0.400 CB 0.638 9 residues pruned to eliminate duplicates Z: 12 7.781 1.745 0.311 0.531 0.909 0.636 CB 1.094 12 residues pruned to eliminate duplicates Z: 12 10.552 1.818 0.535 0.793 0.818 0.727 CB 1.078 11 residues pruned to eliminate duplicates Z: 14 17.154 1.757 0.681 0.772 1.000 0.692 CB 1.266 14 residues pruned to eliminate duplicates Z: 8 3.549 1.683 0.054 0.252 0.857 0.429 CB 1.173 Z: 8 11.934 1.786 0.507 0.801 1.000 0.714 CB 1.288 8 residues pruned to eliminate duplicates Z: 6 5.922 1.248 0.649 0.823 1.000 0.800 N 0.973 5 residues pruned to eliminate duplicates Z: 12 18.692 1.916 0.657 0.771 1.000 0.909 CB 1.397 12 residues pruned to eliminate duplicates Z: 16 6.661 1.604 0.329 0.368 0.800 0.467 CA 1.162 16 residues pruned to eliminate duplicates Z: 16 27.707 1.843 0.946 0.886 1.000 0.600 CA 1.440 16 residues pruned to eliminate duplicates Z: 9 13.665 1.740 0.484 0.866 1.000 1.000 CB 1.371 9 residues pruned to eliminate duplicates Z: 17 31.140 1.877 0.926 0.905 1.000 0.750 CB 1.532 17 residues pruned to eliminate duplicates Z: 6 6.399 1.719 0.549 0.445 1.000 0.800 CB 1.137 Z: 9 15.783 1.837 0.576 0.866 1.000 1.000 CA 1.411 8 residues pruned to eliminate duplicates Z: 13 7.482 1.905 0.160 0.421 0.917 0.500 CB 1.159 Z: 10 8.204 1.470 0.556 0.743 1.000 0.667 CB 0.962 10 residues pruned to eliminate duplicates Z: 20 13.304 1.863 0.670 0.520 0.895 0.579 CB 1.076 19 residues pruned to eliminate duplicates Z: 11 11.390 1.951 0.177 0.884 1.000 0.900 CA 1.133 11 residues pruned to eliminate duplicates Z: 26 19.864 1.922 0.353 0.661 0.920 0.640 CB 1.430 26 residues pruned to eliminate duplicates Z: 15 26.600 1.908 1.100 0.944 1.000 1.000 CA 1.229 17 residues pruned to eliminate duplicates Z: 17 22.515 1.793 0.752 0.902 1.000 0.750 CB 1.279 17 residues pruned to eliminate duplicates Z: 15 11.299 1.661 0.688 0.550 0.857 0.643 CB 1.196 9 residues pruned to eliminate duplicates Z: 15 12.109 1.669 0.392 0.770 1.000 0.643 CA 1.097 14 residues pruned to eliminate duplicates Z: 14 6.770 1.712 0.259 0.443 0.923 0.538 CB 1.001 Z: 9 10.275 1.712 0.377 0.827 0.875 0.750 N 1.327 9 residues pruned to eliminate duplicates Z: 17 29.851 1.836 1.007 0.921 1.000 0.875 CA 1.426 17 residues pruned to eliminate duplicates Z: 16 14.850 1.933 0.413 0.816 0.867 0.800 CA 1.231 16 residues pruned to eliminate duplicates Z: 11 14.943 1.730 0.650 0.797 1.000 0.600 CB 1.277 11 residues pruned to eliminate duplicates Z: 14 17.399 1.884 0.399 0.901 0.923 0.923 CB 1.415 14 residues pruned to eliminate duplicates Z: 18 22.782 1.761 0.891 0.906 1.000 0.824 CA 1.180 18 residues pruned to eliminate duplicates Z: 15 17.767 1.773 0.351 0.910 1.000 0.929 CB 1.406 15 residues pruned to eliminate duplicates Z: 16 15.449 1.801 0.366 0.908 1.000 0.933 CA 1.152 16 residues pruned to eliminate duplicates Z: 13 24.282 1.909 1.087 0.905 0.917 0.250 CB 1.366 13 residues pruned to eliminate duplicates Z: 6 8.339 1.911 0.593 0.596 0.800 0.800 CA 1.397 6 residues pruned to eliminate duplicates Z: 9 13.647 1.786 0.738 0.785 0.875 0.375 CA 1.383 9 residues pruned to eliminate duplicates Z: 6 3.924 1.477 0.401 0.624 1.000 0.800 N 0.754 6 residues pruned to eliminate duplicates Z: 15 23.894 1.890 0.888 0.919 0.929 0.357 CB 1.358 15 residues pruned to eliminate duplicates Z: 10 4.954 1.532 0.386 0.822 1.000 0.556 CB 0.588 Z: 8 7.324 1.704 0.403 0.427 0.857 0.571 CB 1.458 8 residues pruned to eliminate duplicates Z: 11 14.614 1.933 0.194 0.841 1.000 0.800 CB 1.493 12 residues pruned to eliminate duplicates Z: 10 8.922 1.824 0.319 0.447 0.889 0.667 CA 1.469 10 residues pruned to eliminate duplicates Z: 10 8.797 1.610 0.474 0.664 1.000 0.778 CB 1.061 10 residues pruned to eliminate duplicates Z: 16 34.686 1.930 1.031 0.933 1.000 0.800 CB 1.594 16 residues pruned to eliminate duplicates Z: 8 8.862 1.745 0.377 0.721 0.857 0.429 CB 1.332 8 residues pruned to eliminate duplicates Z: 6 7.586 1.839 0.350 0.467 1.000 0.600 CB 1.414 6 residues pruned to eliminate duplicates Z: 7 8.317 1.697 0.298 0.795 1.000 0.833 CA 1.191 7 residues pruned to eliminate duplicates Z: 36 20.875 1.803 0.742 0.542 0.914 0.571 CB 1.179 42 residues pruned to eliminate duplicates Z: 16 9.196 1.845 0.461 0.412 0.933 0.733 CB 1.035 14 residues pruned to eliminate duplicates Z: 10 8.872 1.756 0.482 0.896 1.000 0.889 CB 0.813 Z: 13 6.369 1.653 0.386 0.690 0.833 0.417 CB 0.809 13 residues pruned to eliminate duplicates Z: 9 4.580 1.786 0.337 0.444 0.750 0.625 CB 0.958 9 residues pruned to eliminate duplicates Z: 12 16.742 1.665 0.806 0.840 1.000 0.727 CB 1.253 12 residues pruned to eliminate duplicates Z: 9 3.848 1.564 0.299 0.427 0.625 0.500 CB 1.156 Z: 13 12.125 1.611 0.650 0.816 0.917 0.667 CB 1.092 13 residues pruned to eliminate duplicates Z: 14 15.582 1.859 0.593 0.740 0.923 0.615 CB 1.275 14 residues pruned to eliminate duplicates Z: 16 24.767 1.846 1.008 0.845 0.933 0.667 CB 1.374 16 residues pruned to eliminate duplicates Z: 16 7.727 1.659 0.350 0.636 0.867 0.400 CB 0.905 17 residues pruned to eliminate duplicates Z: 16 17.061 1.911 0.358 0.852 0.933 0.733 CA 1.346 16 residues pruned to eliminate duplicates Z: 7 7.416 1.823 0.364 0.537 1.000 0.833 CB 1.174 Z: 26 17.557 1.886 0.518 0.473 0.840 0.560 CA 1.499 37 residues pruned to eliminate duplicates Z: 7 3.147 1.569 0.010 0.517 1.000 0.667 CB 0.797 7 residues pruned to eliminate duplicates Z: 30 14.811 1.805 0.285 0.546 0.897 0.517 CB 1.264 30 residues pruned to eliminate duplicates Z: 10 4.796 1.673 0.365 0.453 0.889 0.556 CB 0.826 10 residues pruned to eliminate duplicates Z: 10 2.800 1.514 0.003 0.278 0.778 0.333 CB 1.016 Z: 13 8.654 1.599 0.608 0.444 0.917 0.667 CB 1.122 Z: 15 19.628 1.882 0.945 0.866 0.929 0.786 CB 1.130 15 residues pruned to eliminate duplicates Z: 6 13.031 1.932 0.401 0.862 1.000 0.600 CA 1.580 6 residues pruned to eliminate duplicates Z: 6 6.358 1.576 0.373 0.610 1.000 0.200 CA 1.183 6 residues pruned to eliminate duplicates Z: 8 7.820 1.676 0.043 0.846 1.000 0.857 CB 1.256 8 residues pruned to eliminate duplicates Z: 13 17.030 1.800 0.539 0.824 1.000 0.833 CB 1.340 12 residues pruned to eliminate duplicates Z: 18 27.219 1.808 1.040 0.908 0.941 0.824 CA 1.351 18 residues pruned to eliminate duplicates Z: 9 9.455 1.769 0.620 0.533 0.875 0.625 CB 1.290 8 residues pruned to eliminate duplicates Z: 19 16.332 1.685 0.542 0.790 1.000 0.722 CB 1.149 19 residues pruned to eliminate duplicates Z: 7 7.101 1.730 0.195 0.851 1.000 0.667 CB 1.038 8 residues pruned to eliminate duplicates Z: 14 16.431 1.935 0.243 0.928 1.000 1.000 CA 1.328 14 residues pruned to eliminate duplicates Z: 7 8.718 1.659 0.428 0.850 1.000 0.500 N 1.113 7 residues pruned to eliminate duplicates Z: 9 3.083 1.338 0.942 0.826 0.750 0.625 CB 0.422 9 residues pruned to eliminate duplicates Z: 11 4.875 1.561 0.278 0.422 0.800 0.500 CB 1.048 11 residues pruned to eliminate duplicates Z: 9 7.934 1.640 0.240 0.628 1.000 0.500 N 1.222 8 residues pruned to eliminate duplicates Z: 15 20.503 1.912 0.479 0.931 1.000 0.929 CB 1.355 15 residues pruned to eliminate duplicates Z: 15 16.248 1.951 0.468 0.819 0.929 0.714 CA 1.238 15 residues pruned to eliminate duplicates Z: 8 14.908 1.746 0.807 0.827 1.000 0.857 CB 1.346 9 residues pruned to eliminate duplicates Z: 11 5.943 1.638 0.376 0.360 0.900 0.700 CB 1.077 Z: 7 3.738 1.508 0.452 0.232 0.833 0.500 CA 1.143 7 residues pruned to eliminate duplicates Z: 7 3.014 1.621 -0.114 0.537 0.667 0.667 N 1.240 7 residues pruned to eliminate duplicates Z: 15 4.721 1.462 0.675 0.263 0.786 0.357 CA 0.860 Z: 6 5.769 1.557 -0.005 0.792 1.000 1.000 CB 1.290 Z: 16 9.551 1.650 0.652 0.470 0.733 0.267 CB 1.272 16 residues pruned to eliminate duplicates Z: 11 13.798 1.674 0.989 0.833 1.000 0.500 CB 0.983 Z: 15 15.356 1.913 0.593 0.791 0.786 0.786 CB 1.327 15 residues pruned to eliminate duplicates Z: 11 7.144 1.750 0.501 0.329 0.900 0.700 CB 1.153 11 residues pruned to eliminate duplicates Z: 11 6.456 1.739 0.382 0.453 0.700 0.700 CB 1.274 11 residues pruned to eliminate duplicates Z: 9 6.777 1.854 0.377 0.340 1.000 0.875 CB 1.117 2 residues pruned to eliminate duplicates Z: 11 7.895 1.759 0.130 0.892 0.900 0.700 CB 1.002 Z: 7 8.961 1.805 0.358 0.608 1.000 0.333 CB 1.347 7 residues pruned to eliminate duplicates Z: 15 18.071 1.849 0.766 0.894 0.929 0.571 CB 1.142 15 residues pruned to eliminate duplicates Z: 15 21.649 1.824 0.746 0.915 1.000 1.000 CA 1.285 15 residues pruned to eliminate duplicates Z: 37 21.729 1.883 0.427 0.625 0.917 0.806 CB 1.307 36 residues pruned to eliminate duplicates Z: 15 23.140 1.897 0.606 0.916 1.000 0.929 CA 1.433 15 residues pruned to eliminate duplicates Z: 69 31.182 1.964 0.602 0.531 0.926 0.618 CB 1.259 61 residues pruned to eliminate duplicates Z: 57 27.063 1.897 0.602 0.552 0.893 0.536 CB 1.268 63 residues pruned to eliminate duplicates Z: 8 5.552 1.812 0.347 0.365 1.000 0.571 CB 0.994 8 residues pruned to eliminate duplicates Z: 22 19.741 1.939 0.724 0.565 0.857 0.571 CB 1.412 22 residues pruned to eliminate duplicates Z: 16 21.994 1.994 0.666 0.806 1.000 0.800 CA 1.309 15 residues pruned to eliminate duplicates Z: 43 30.485 1.949 0.815 0.504 0.929 0.571 CB 1.426 44 residues pruned to eliminate duplicates Z: 35 18.575 1.881 0.554 0.386 0.912 0.529 CB 1.349 53 residues pruned to eliminate duplicates Z: 12 8.734 1.771 0.446 0.381 1.000 0.727 CB 1.167 12 residues pruned to eliminate duplicates Z: 6 5.184 1.695 0.268 0.742 0.800 0.800 CB 1.086 6 residues pruned to eliminate duplicates Z: 14 12.208 1.737 0.541 0.767 0.846 0.692 CB 1.180 14 residues pruned to eliminate duplicates Z: 18 19.237 1.860 0.539 0.851 0.941 0.824 CA 1.282 16 residues pruned to eliminate duplicates Z: 8 16.956 1.824 0.807 0.890 1.000 0.571 CB 1.399 8 residues pruned to eliminate duplicates Z: 9 11.373 1.732 0.641 0.848 1.000 0.750 CA 1.050 9 residues pruned to eliminate duplicates Z: 9 8.130 1.705 0.359 0.885 1.000 0.750 CB 0.895 9 residues pruned to eliminate duplicates Z: 8 14.523 1.878 0.920 0.713 0.857 0.714 N 1.464 8 residues pruned to eliminate duplicates Z: 11 10.983 1.676 0.599 0.819 1.000 0.800 CB 0.983 11 residues pruned to eliminate duplicates Z: 29 16.560 1.839 0.563 0.505 0.857 0.571 CB 1.264 28 residues pruned to eliminate duplicates Z: 30 15.469 1.912 0.375 0.424 0.828 0.690 CB 1.429 30 residues pruned to eliminate duplicates Z: 11 4.544 1.583 0.353 0.407 0.600 0.500 CB 1.232 Z: 16 25.558 2.001 0.551 0.837 1.000 0.867 CA 1.590 16 residues pruned to eliminate duplicates Z: 11 19.427 1.955 0.546 0.808 1.000 0.700 CA 1.555 12 residues pruned to eliminate duplicates Z: 15 18.322 1.887 0.530 0.890 0.929 0.714 CB 1.314 15 residues pruned to eliminate duplicates Z: 24 8.252 1.625 0.542 0.367 0.870 0.348 CB 0.911 20 residues pruned to eliminate duplicates Z: 26 9.509 1.724 0.293 0.371 0.920 0.400 CB 1.065 12 residues pruned to eliminate duplicates Z: 15 24.562 1.921 0.695 0.884 1.000 0.714 CA 1.456 Z: 20 6.775 1.764 0.318 0.325 0.789 0.474 CB 1.027 22 residues pruned to eliminate duplicates Z: 10 5.934 1.512 0.201 0.890 1.000 1.000 CB 0.784 Z: 10 6.641 1.597 0.514 0.641 0.889 0.778 CB 0.902 11 residues pruned to eliminate duplicates Z: 12 11.972 1.664 0.364 0.868 1.000 0.727 CB 1.163 12 residues pruned to eliminate duplicates Z: 8 10.420 1.836 0.420 0.716 1.000 0.857 CA 1.243 8 residues pruned to eliminate duplicates Z: 11 15.123 1.760 0.712 0.874 1.000 0.800 CB 1.155 10 residues pruned to eliminate duplicates Z: 13 4.761 1.572 0.334 0.442 0.750 0.583 CB 0.928 12 residues pruned to eliminate duplicates Z: 7 2.605 1.604 -0.067 0.243 0.833 0.333 CB 1.148 Z: 12 6.759 1.599 0.674 0.352 0.818 0.364 CB 1.093 12 residues pruned to eliminate duplicates Z: 21 8.806 1.612 0.665 0.400 0.800 0.300 CB 1.019 12 residues pruned to eliminate duplicates Z: 9 6.397 1.377 0.497 0.692 1.000 0.875 CA 0.920 Z: 13 14.980 1.908 0.315 0.898 1.000 0.917 CA 1.233 13 residues pruned to eliminate duplicates Z: 24 10.492 1.830 0.216 0.479 0.957 0.565 CB 1.050 7 residues pruned to eliminate duplicates Z: 9 8.937 1.553 0.469 0.868 1.000 0.875 CB 1.012 9 residues pruned to eliminate duplicates Z: 15 20.857 1.878 0.550 0.912 1.000 0.929 CB 1.356 15 residues pruned to eliminate duplicates Z: 6 4.801 1.284 0.344 0.847 1.000 0.800 CB 0.924 Z: 17 18.391 1.923 0.253 0.871 1.000 1.000 CB 1.392 17 residues pruned to eliminate duplicates Z: 6 2.501 1.412 0.470 0.426 0.600 0.400 CB 0.969 5 residues pruned to eliminate duplicates Z: 6 6.094 1.691 0.663 0.596 0.800 0.800 CB 1.106 Z: 12 19.852 1.854 0.657 0.879 1.000 0.818 CB 1.413 12 residues pruned to eliminate duplicates Z: 8 7.519 1.754 0.413 0.420 1.000 0.714 CB 1.246 8 residues pruned to eliminate duplicates Z: 10 4.263 1.202 0.421 0.497 0.889 0.667 O 0.939 Z: 14 15.049 1.800 0.481 0.912 1.000 0.923 CA 1.109 14 residues pruned to eliminate duplicates 8 1.632 1.511 0.291 0.398 0.571 0.429 CB 0.617 ? Z: 7 7.688 1.744 0.710 0.536 0.833 0.667 CB 1.219 7 residues pruned to eliminate duplicates Z: 6 4.838 1.982 0.263 0.474 0.600 0.600 CB 1.480 6 residues pruned to eliminate duplicates Z: 16 18.033 1.827 0.509 0.846 0.933 0.867 CB 1.343 16 residues pruned to eliminate duplicates Z: 10 4.289 1.664 0.306 0.479 0.889 0.667 CB 0.756 10 residues pruned to eliminate duplicates Z: 14 10.219 1.654 0.273 0.804 1.000 0.769 CB 1.032 13 residues pruned to eliminate duplicates Z: 65 33.015 1.967 0.629 0.543 0.922 0.609 CB 1.340 65 residues pruned to eliminate duplicates Z: 7 10.085 1.695 0.900 0.868 0.833 0.833 CB 1.121 7 residues pruned to eliminate duplicates Z: 13 9.235 1.700 0.736 0.381 0.833 0.500 CB 1.231 12 residues pruned to eliminate duplicates Z: 10 6.968 1.529 0.406 0.544 1.000 0.556 CB 1.035 10 residues pruned to eliminate duplicates Z: 12 13.703 1.747 0.443 0.822 0.909 0.818 CB 1.363 12 residues pruned to eliminate duplicates Z: 9 17.133 1.761 0.777 0.848 1.000 0.625 N 1.436 10 residues pruned to eliminate duplicates Z: 18 7.311 1.679 0.151 0.383 0.824 0.471 CB 1.263 18 residues pruned to eliminate duplicates Z: 12 5.078 1.585 0.315 0.333 0.909 0.455 N 0.969 14 residues pruned to eliminate duplicates Z: 9 9.654 1.509 0.357 0.856 1.000 0.625 CB 1.229 9 residues pruned to eliminate duplicates Z: 14 12.082 1.766 0.343 0.893 0.923 0.769 CB 1.099 14 residues pruned to eliminate duplicates Z: 8 7.599 1.903 0.431 0.407 1.000 0.714 CB 1.163 8 residues pruned to eliminate duplicates Z: 17 7.622 1.670 0.311 0.345 0.875 0.688 CB 1.177 17 residues pruned to eliminate duplicates Z: 11 4.274 1.606 0.421 0.465 0.800 0.700 CB 0.767 11 residues pruned to eliminate duplicates Z: 8 3.676 1.334 0.522 0.469 0.857 0.714 CB 0.823 5 residues pruned to eliminate duplicates Z: 17 21.397 1.824 0.728 0.875 0.938 0.750 CB 1.317 16 residues pruned to eliminate duplicates Z: 16 16.990 1.787 0.976 0.813 0.867 0.400 CB 1.092 15 residues pruned to eliminate duplicates Z: 9 8.355 1.568 0.258 0.599 1.000 0.750 N 1.362 7 residues pruned to eliminate duplicates Z: 14 17.572 1.668 0.552 0.918 1.000 0.846 CA 1.328 14 residues pruned to eliminate duplicates Z: 14 7.330 1.649 0.809 0.291 0.846 0.462 CB 1.018 13 residues pruned to eliminate duplicates Z: 16 24.152 1.807 0.901 0.894 0.867 0.800 CA 1.502 16 residues pruned to eliminate duplicates Z: 6 4.706 1.272 0.415 0.826 1.000 0.400 O 0.881 Z: 7 8.361 1.428 0.595 0.879 1.000 0.833 CB 1.086 Z: 10 12.951 1.799 0.448 0.850 0.889 0.889 CB 1.381 10 residues pruned to eliminate duplicates Z: 10 5.155 1.491 0.049 0.896 1.000 0.889 CB 0.787 9 residues pruned to eliminate duplicates Z: 6 3.591 1.830 0.190 0.429 1.000 0.400 CB 0.793 Z: 9 10.932 1.754 0.774 0.844 0.875 0.750 CB 1.056 9 residues pruned to eliminate duplicates Z: 7 6.482 1.736 0.423 0.782 1.000 0.500 CB 0.835 8 residues pruned to eliminate duplicates Z: 38 23.669 1.880 0.577 0.603 0.919 0.595 CB 1.295 38 residues pruned to eliminate duplicates Z: 21 15.920 1.956 0.751 0.441 0.800 0.550 CB 1.380 21 residues pruned to eliminate duplicates Z: 12 5.965 1.762 0.272 0.413 0.727 0.545 CB 1.208 12 residues pruned to eliminate duplicates Z: 6 5.469 1.311 0.733 0.761 1.000 0.400 CB 0.854 Z: 6 8.085 1.504 0.529 0.856 1.000 0.800 O 1.160 5 residues pruned to eliminate duplicates Z: 7 4.377 1.730 0.235 0.649 1.000 0.333 CB 0.728 10 residues pruned to eliminate duplicates Z: 11 13.967 1.716 0.518 0.903 1.000 1.000 CA 1.208 11 residues pruned to eliminate duplicates Z: 9 12.670 1.795 0.760 0.896 1.000 0.750 CB 1.015 10 residues pruned to eliminate duplicates Z: 14 10.823 1.585 0.451 0.847 1.000 0.615 CB 0.969 14 residues pruned to eliminate duplicates Z: 15 18.113 1.789 0.495 0.816 1.000 0.714 CB 1.375 15 residues pruned to eliminate duplicates Z: 6 6.302 1.478 0.564 0.636 1.000 0.600 CB 1.074 Z: 11 8.276 1.777 0.278 0.846 1.000 0.700 CB 0.856 11 residues pruned to eliminate duplicates Z: 11 9.750 1.688 0.626 0.789 0.900 0.700 CB 0.968 11 residues pruned to eliminate duplicates Z: 7 5.047 1.539 0.217 0.526 1.000 0.667 O 1.073 Z: 10 7.064 1.668 0.290 0.504 1.000 0.667 CA 1.090 10 residues pruned to eliminate duplicates Z: 9 12.666 1.733 0.606 0.867 1.000 0.875 CB 1.177 9 residues pruned to eliminate duplicates Z: 20 14.417 1.906 0.456 0.501 0.895 0.474 CB 1.330 20 residues pruned to eliminate duplicates Z: 7 2.170 1.497 0.322 0.242 0.833 0.500 CB 0.723 Z: 6 12.078 1.758 0.713 0.738 1.000 0.400 CB 1.448 6 residues pruned to eliminate duplicates Z: 6 8.547 1.650 0.367 0.823 1.000 0.600 CB 1.280 6 residues pruned to eliminate duplicates Z: 10 8.189 1.537 0.673 0.585 1.000 0.556 CB 0.979 14 residues pruned to eliminate duplicates Z: 8 7.287 1.665 0.164 0.895 1.000 0.857 CA 1.020 8 residues pruned to eliminate duplicates Z: 8 7.005 1.490 0.433 0.759 0.857 0.714 CB 1.149 6 residues pruned to eliminate duplicates Z: 15 15.926 1.793 0.480 0.848 0.929 0.857 CA 1.281 15 residues pruned to eliminate duplicates Z: 13 13.211 1.956 0.541 0.490 0.917 0.750 CB 1.394 13 residues pruned to eliminate duplicates Z: 16 20.347 1.860 0.699 0.857 0.933 0.933 CB 1.313 16 residues pruned to eliminate duplicates Z: 7 8.424 1.575 0.532 0.814 1.000 0.833 CA 1.085 7 residues pruned to eliminate duplicates Z: 6 8.261 1.724 0.750 0.856 1.000 1.000 CB 0.903 6 residues pruned to eliminate duplicates Z: 14 7.738 1.646 0.498 0.371 1.000 0.692 CB 0.999 14 residues pruned to eliminate duplicates Z: 6 3.013 1.477 0.374 0.575 0.800 0.600 CA 0.772 Z: 8 13.311 1.863 0.721 0.820 1.000 0.857 CB 1.189 8 residues pruned to eliminate duplicates Z: 30 12.828 1.784 0.540 0.434 0.793 0.586 CB 1.171 30 residues pruned to eliminate duplicates Z: 19 17.065 1.847 0.674 0.466 0.944 0.444 CA 1.426 19 residues pruned to eliminate duplicates Z: 15 16.823 1.957 0.614 0.836 0.929 0.786 CA 1.147 15 residues pruned to eliminate duplicates Z: 11 11.810 1.700 0.664 0.820 0.900 0.500 CB 1.111 11 residues pruned to eliminate duplicates Z: 14 25.255 1.918 0.805 0.902 1.000 0.769 CA 1.444 14 residues pruned to eliminate duplicates Z: 16 8.974 1.564 0.785 0.368 0.867 0.667 CB 1.102 23 residues pruned to eliminate duplicates Z: 15 6.567 1.671 0.398 0.281 0.786 0.500 CB 1.225 15 residues pruned to eliminate duplicates Z: 7 10.353 1.846 0.340 0.720 1.000 0.500 CB 1.401 7 residues pruned to eliminate duplicates Z: 7 9.665 1.645 0.648 0.546 1.000 0.667 CB 1.392 7 residues pruned to eliminate duplicates Z: 10 9.596 1.796 0.274 0.893 1.000 0.778 CB 1.003 10 residues pruned to eliminate duplicates Z: 17 16.568 1.672 0.731 0.782 1.000 0.625 CB 1.116 17 residues pruned to eliminate duplicates Z: 57 23.159 1.850 0.636 0.476 0.857 0.446 CB 1.222 57 residues pruned to eliminate duplicates Z: 12 4.754 1.666 0.346 0.251 0.636 0.273 O 1.338 Z: 10 3.314 1.584 0.529 0.623 0.778 0.444 CB 0.522 9 1.662 1.498 0.318 0.224 0.625 0.375 CB 0.658 ? Z: 7 10.476 2.098 0.103 0.892 1.000 1.000 CA 1.327 7 residues pruned to eliminate duplicates Z: 6 3.447 1.451 0.197 0.593 1.000 0.800 CB 0.812 Z: 9 8.193 1.843 0.155 0.634 0.875 0.500 CB 1.371 9 residues pruned to eliminate duplicates Z: 8 7.585 1.696 0.149 0.828 1.000 0.714 CA 1.108 8 residues pruned to eliminate duplicates Z: 10 5.132 1.629 0.960 0.441 0.778 0.444 CB 0.732 Z: 11 8.965 1.834 0.438 0.807 0.800 0.600 CA 1.028 11 residues pruned to eliminate duplicates Z: 20 9.667 1.856 0.514 0.440 0.684 0.579 CB 1.228 20 residues pruned to eliminate duplicates Z: 22 13.482 1.750 0.631 0.447 0.952 0.571 CB 1.143 22 residues pruned to eliminate duplicates Z: 7 5.707 1.532 0.273 0.838 1.000 0.667 CB 0.893 7 residues pruned to eliminate duplicates Z: 16 20.118 1.777 1.012 0.882 0.933 0.800 CB 1.126 16 residues pruned to eliminate duplicates Z: 12 9.414 1.667 0.611 0.738 0.909 0.636 CB 0.939 12 residues pruned to eliminate duplicates Z: 13 13.808 1.621 0.580 0.892 1.000 0.833 CB 1.118 13 residues pruned to eliminate duplicates Z: 17 25.856 1.843 0.742 0.906 0.938 0.750 CA 1.527 17 residues pruned to eliminate duplicates Z: 17 33.056 1.884 1.091 0.915 0.938 0.938 CB 1.581 17 residues pruned to eliminate duplicates Z: 15 22.243 2.041 0.738 0.827 0.929 0.786 CA 1.360 15 residues pruned to eliminate duplicates Z: 17 16.471 1.876 0.438 0.829 0.875 0.750 CA 1.313 17 residues pruned to eliminate duplicates Z: 8 5.403 1.205 0.524 0.798 0.857 0.714 O 0.999 7 residues pruned to eliminate duplicates Z: 25 16.743 1.806 0.576 0.554 0.875 0.333 CB 1.302 25 residues pruned to eliminate duplicates Z: 16 20.467 1.848 0.587 0.913 0.933 0.933 CA 1.366 16 residues pruned to eliminate duplicates Z: 13 10.144 1.707 0.613 0.826 0.917 0.500 CB 0.875 13 residues pruned to eliminate duplicates Z: 6 3.335 1.410 0.533 0.297 1.000 0.600 CB 0.866 Z: 9 15.824 1.779 0.658 0.888 1.000 1.000 CA 1.366 9 residues pruned to eliminate duplicates Z: 6 2.542 1.435 0.081 0.652 0.800 0.400 CB 0.795 Z: 15 14.985 1.684 0.910 0.673 0.857 0.500 CB 1.238 15 residues pruned to eliminate duplicates Z: 15 7.877 1.754 0.123 0.579 1.000 0.571 CB 0.991 15 residues pruned to eliminate duplicates Z: 10 9.837 1.795 0.430 0.865 1.000 0.667 CB 0.936 10 residues pruned to eliminate duplicates Z: 6 3.231 1.440 0.075 0.493 0.800 0.400 C 1.175 Z: 12 14.269 1.893 0.174 0.933 1.000 1.000 CA 1.351 12 residues pruned to eliminate duplicates Z: 27 12.189 1.748 0.608 0.622 0.654 0.308 CB 1.159 27 residues pruned to eliminate duplicates Z: 7 4.424 1.798 0.213 0.523 0.667 0.333 CB 1.214 Z: 10 5.785 1.815 0.328 0.312 0.778 0.556 CB 1.268 10 residues pruned to eliminate duplicates Z: 13 13.627 1.868 0.409 0.628 0.917 0.833 CA 1.446 13 residues pruned to eliminate duplicates Z: 17 14.299 1.709 0.303 0.757 1.000 0.688 CB 1.276 17 residues pruned to eliminate duplicates Z: 12 5.508 1.738 0.167 0.396 0.727 0.545 CB 1.257 12 residues pruned to eliminate duplicates Z: 16 21.305 1.799 0.929 0.901 0.933 0.800 CB 1.212 16 residues pruned to eliminate duplicates Z: 9 7.552 1.713 0.433 0.542 0.875 0.750 CB 1.193 9 residues pruned to eliminate duplicates Z: 6 4.749 1.631 0.470 0.681 0.800 0.800 CB 0.937 Z: 31 19.078 1.792 0.726 0.506 0.867 0.567 CB 1.292 31 residues pruned to eliminate duplicates Z: 13 16.926 1.739 0.589 0.935 1.000 1.000 CA 1.232 13 residues pruned to eliminate duplicates Z: 6 2.333 1.518 0.485 0.411 1.000 0.600 CB 0.508 Z: 45 32.369 1.855 0.734 0.688 0.909 0.591 CB 1.405 48 residues pruned to eliminate duplicates Z: 7 3.975 1.255 0.909 0.490 0.833 0.500 CB 0.821 Z: 34 17.340 1.878 0.476 0.369 0.909 0.485 CB 1.377 34 residues pruned to eliminate duplicates Z: 9 5.525 1.471 0.377 0.484 0.750 0.625 N 1.307 8 1.913 1.215 0.673 0.334 0.571 0.429 CB 0.746 ? Z: 21 18.354 1.916 0.664 0.529 0.900 0.650 CB 1.391 21 residues pruned to eliminate duplicates Z: 32 22.866 1.857 0.721 0.578 0.935 0.677 CA 1.274 32 residues pruned to eliminate duplicates Z: 6 2.686 1.361 0.333 0.386 0.600 0.600 CB 1.245 6 residues pruned to eliminate duplicates Z: 14 13.675 1.701 0.640 0.745 0.923 0.692 CB 1.183 14 residues pruned to eliminate duplicates Z: 10 3.767 1.432 0.364 0.255 0.778 0.444 CA 1.095 10 residues pruned to eliminate duplicates Z: 9 11.578 1.652 0.984 0.808 0.875 0.750 CB 1.091 9 residues pruned to eliminate duplicates Z: 17 32.618 1.883 0.937 0.927 1.000 0.875 CA 1.567 17 residues pruned to eliminate duplicates Z: 6 6.488 1.549 0.243 0.692 1.000 0.600 CB 1.265 Z: 10 15.468 1.745 0.581 0.880 1.000 0.889 CA 1.355 11 residues pruned to eliminate duplicates Z: 16 21.054 1.809 0.941 0.860 0.933 0.800 CB 1.220 16 residues pruned to eliminate duplicates Z: 6 6.289 1.725 0.521 0.542 0.800 0.800 CB 1.285 6 residues pruned to eliminate duplicates Z: 19 14.523 1.633 0.519 0.824 0.889 0.778 CB 1.172 16 residues pruned to eliminate duplicates Z: 25 11.373 1.731 0.247 0.455 0.917 0.583 CB 1.228 26 residues pruned to eliminate duplicates Z: 9 8.671 1.733 0.447 0.915 1.000 1.000 CB 0.864 9 residues pruned to eliminate duplicates Z: 15 16.709 1.810 0.501 0.825 0.929 0.857 CB 1.336 15 residues pruned to eliminate duplicates Z: 8 3.531 1.328 0.274 0.439 0.714 0.429 C 1.177 Z: 15 18.950 1.801 0.615 0.896 0.929 0.643 CB 1.343 15 residues pruned to eliminate duplicates Z: 15 8.526 1.607 0.469 0.785 0.857 0.357 CB 0.877 15 residues pruned to eliminate duplicates Z: 6 2.962 1.304 0.397 0.288 1.000 0.600 CB 0.923 Z: 7 7.740 1.827 0.420 0.584 0.833 0.500 CB 1.348 7 residues pruned to eliminate duplicates Z: 11 7.939 1.584 0.076 0.864 1.000 0.700 CB 1.080 7 residues pruned to eliminate duplicates Z: 13 22.135 1.972 0.619 0.922 1.000 1.000 CA 1.408 13 residues pruned to eliminate duplicates Z: 12 8.871 1.494 0.553 0.763 1.000 0.455 CB 0.913 11 residues pruned to eliminate duplicates Z: 6 3.839 1.474 0.158 0.485 1.000 0.600 N 1.021 Z: 9 14.631 1.821 0.582 0.829 1.000 0.875 CB 1.351 9 residues pruned to eliminate duplicates Z: 7 8.654 1.780 0.502 0.727 1.000 0.500 CB 1.076 Z: 6 3.121 1.468 0.883 0.298 0.600 0.400 O 1.055 Z: 31 14.806 1.888 0.274 0.503 1.000 0.633 CB 1.121 39 residues pruned to eliminate duplicates Z: 10 9.841 1.491 0.427 0.801 1.000 0.556 C 1.186 10 residues pruned to eliminate duplicates Z: 25 15.195 1.916 0.617 0.462 0.875 0.458 CB 1.189 33 residues pruned to eliminate duplicates Z: 6 3.638 1.630 -0.032 0.780 1.000 1.000 CB 0.806 6 residues pruned to eliminate duplicates Z: 59 31.902 2.011 0.695 0.565 0.879 0.569 CB 1.312 59 residues pruned to eliminate duplicates Z: 8 4.786 1.426 0.634 0.689 1.000 0.714 CB 0.653 Z: 8 5.078 1.645 0.786 0.263 0.857 0.571 O 0.998 Z: 9 10.335 1.766 0.525 0.868 1.000 0.750 CB 0.992 9 residues pruned to eliminate duplicates Z: 17 17.848 1.729 0.395 0.901 1.000 0.875 CB 1.321 16 residues pruned to eliminate duplicates Z: 10 5.921 1.615 0.306 0.307 1.000 0.667 N 1.160 10 residues pruned to eliminate duplicates Z: 6 2.293 1.159 0.060 0.637 1.000 0.600 CB 0.734 Z: 6 2.571 1.561 0.366 0.296 0.800 0.400 CB 0.846 Z: 34 17.850 1.835 0.827 0.582 0.939 0.606 CB 0.912 34 residues pruned to eliminate duplicates Z: 52 26.124 1.835 0.591 0.516 0.922 0.608 CB 1.338 52 residues pruned to eliminate duplicates Z: 13 11.153 1.658 0.501 0.539 0.917 0.833 CA 1.359 13 residues pruned to eliminate duplicates Z: 15 11.262 1.837 0.447 0.529 1.000 0.571 CB 1.100 14 residues pruned to eliminate duplicates Z: 13 6.880 1.685 0.259 0.582 0.750 0.667 CA 1.153 13 residues pruned to eliminate duplicates Z: 9 4.977 1.438 0.327 0.602 0.750 0.625 CB 1.115 Z: 27 17.129 1.888 0.351 0.528 0.923 0.615 CB 1.387 27 residues pruned to eliminate duplicates Z: 18 23.922 1.778 0.694 0.929 1.000 0.824 CB 1.347 18 residues pruned to eliminate duplicates Z: 22 10.147 1.558 0.477 0.714 0.905 0.524 CB 0.876 22 residues pruned to eliminate duplicates Z: 10 5.642 1.406 0.932 0.739 0.889 0.556 CB 0.629 10 residues pruned to eliminate duplicates 6 1.975 1.279 0.227 0.348 0.800 0.600 CB 0.830 ? Z: 44 14.809 1.700 0.574 0.398 0.860 0.535 CB 1.092 56 residues pruned to eliminate duplicates Z: 22 6.999 1.561 0.493 0.359 0.905 0.429 CB 0.843 22 residues pruned to eliminate duplicates Z: 11 6.718 1.781 0.356 0.487 1.000 0.600 CB 0.891 11 residues pruned to eliminate duplicates Z: 6 5.810 1.631 0.300 0.525 1.000 0.400 C 1.195 Z: 25 17.365 1.921 0.522 0.425 0.917 0.542 CB 1.431 25 residues pruned to eliminate duplicates Z: 13 4.906 1.642 0.509 0.349 0.667 0.500 CB 1.010 13 residues pruned to eliminate duplicates Z: 10 14.618 1.748 0.565 0.869 1.000 0.778 CB 1.300 10 residues pruned to eliminate duplicates Z: 13 25.069 1.960 0.827 0.936 1.000 0.833 CB 1.407 13 residues pruned to eliminate duplicates Z: 44 22.785 1.937 0.467 0.451 0.884 0.535 CA 1.454 44 residues pruned to eliminate duplicates 6 1.926 1.547 0.057 0.153 1.000 0.600 CB 0.807 ? Z: 13 11.371 1.853 0.821 0.523 0.750 0.333 CB 1.268 13 residues pruned to eliminate duplicates Z: 15 15.508 1.826 0.522 0.900 1.000 0.929 CA 1.065 15 residues pruned to eliminate duplicates Z: 9 6.002 1.546 0.310 0.605 0.875 0.750 CB 1.083 Z: 36 19.875 1.879 0.569 0.567 0.857 0.514 CB 1.245 36 residues pruned to eliminate duplicates Z: 37 12.458 1.871 0.358 0.301 0.750 0.472 CB 1.360 37 residues pruned to eliminate duplicates Z: 8 7.089 1.774 0.257 0.572 1.000 0.857 CA 1.121 8 residues pruned to eliminate duplicates Z: 8 3.006 1.451 0.221 0.540 0.857 0.714 CB 0.720 Z: 11 6.132 1.742 0.364 0.672 0.800 0.600 CB 0.870 Z: 16 19.107 1.817 0.698 0.692 0.867 0.733 CA 1.547 16 residues pruned to eliminate duplicates Z: 32 18.831 1.911 0.572 0.410 0.935 0.516 CA 1.322 32 residues pruned to eliminate duplicates Z: 15 20.014 1.909 0.422 0.908 1.000 0.714 CB 1.399 15 residues pruned to eliminate duplicates Z: 10 4.074 1.485 0.098 0.613 0.778 0.667 CB 0.963 Z: 13 3.503 1.617 0.313 0.292 0.667 0.500 CB 0.902 13 residues pruned to eliminate duplicates Z: 10 3.882 1.530 0.464 0.240 0.778 0.444 CB 1.003 10 residues pruned to eliminate duplicates Z: 7 6.657 1.182 1.114 0.748 1.000 0.667 O 0.872 7 residues pruned to eliminate duplicates Z: 11 7.611 1.790 0.294 0.700 1.000 0.800 CB 0.866 11 residues pruned to eliminate duplicates Z: 28 13.333 1.773 0.709 0.407 0.852 0.556 CB 1.096 23 residues pruned to eliminate duplicates Z: 63 32.214 1.924 0.711 0.605 0.871 0.565 CB 1.292 63 residues pruned to eliminate duplicates Z: 16 6.981 1.475 0.571 0.520 0.800 0.400 CB 0.953 16 residues pruned to eliminate duplicates Z: 15 15.288 1.888 0.644 0.777 0.929 0.643 CB 1.110 15 residues pruned to eliminate duplicates Z: 6 2.191 1.267 0.223 0.297 1.000 0.400 CB 0.794 Z: 12 4.718 1.594 0.290 0.672 0.909 0.273 CB 0.649 12 residues pruned to eliminate duplicates Z: 22 18.549 1.798 0.623 0.653 0.952 0.476 CB 1.263 22 residues pruned to eliminate duplicates Z: 7 2.100 1.376 0.185 0.468 0.833 0.333 CB 0.652 Z: 6 3.411 1.442 0.256 0.475 0.800 0.800 CA 1.080 Z: 8 9.293 1.702 0.557 0.577 1.000 0.429 CB 1.231 6 residues pruned to eliminate duplicates Z: 9 6.002 1.562 0.271 0.805 1.000 0.750 CB 0.819 9 residues pruned to eliminate duplicates Z: 6 3.591 1.389 0.819 0.437 0.800 0.400 CA 0.848 Z: 24 14.533 1.807 0.388 0.606 0.870 0.565 CB 1.257 24 residues pruned to eliminate duplicates Z: 11 8.219 1.569 0.328 0.721 0.900 0.900 CB 1.135 11 residues pruned to eliminate duplicates Z: 7 4.144 1.573 0.185 0.475 1.000 0.500 CA 0.931 Z: 16 7.079 1.731 0.318 0.460 0.867 0.400 CB 0.963 Z: 16 5.717 1.603 0.404 0.290 0.867 0.400 CB 0.958 12 residues pruned to eliminate duplicates Z: 7 2.497 1.196 -0.034 0.428 1.000 0.500 N 0.951 Z: 9 9.076 1.721 0.062 0.830 1.000 0.750 N 1.319 9 residues pruned to eliminate duplicates Z: 6 3.413 1.556 0.846 0.471 0.600 0.600 CB 0.912 Z: 11 9.952 1.721 0.363 0.569 1.000 0.600 CA 1.256 Z: 43 19.046 1.860 0.576 0.426 0.905 0.619 CB 1.197 54 residues pruned to eliminate duplicates Z: 12 13.948 1.674 0.902 0.884 0.909 0.818 CB 1.050 12 residues pruned to eliminate duplicates Z: 11 3.084 1.259 0.398 0.412 0.800 0.500 N 0.759 Z: 9 3.674 1.560 0.295 0.446 0.750 0.625 CB 0.906 Z: 6 2.595 1.544 -0.233 0.508 1.000 0.400 CB 0.971 Z: 8 5.788 1.508 0.508 0.730 0.857 0.714 CA 0.913 8 residues pruned to eliminate duplicates Z: 37 16.768 1.880 0.433 0.417 0.889 0.500 CB 1.273 49 residues pruned to eliminate duplicates Z: 14 15.886 1.900 0.556 0.745 0.923 0.538 CB 1.296 14 residues pruned to eliminate duplicates Z: 39 12.259 1.700 0.286 0.392 0.895 0.605 CB 1.139 38 residues pruned to eliminate duplicates Z: 13 13.806 1.708 0.435 0.895 1.000 1.000 CA 1.165 13 residues pruned to eliminate duplicates Z: 13 18.832 1.885 0.443 0.903 1.000 1.000 CB 1.424 13 residues pruned to eliminate duplicates Z: 11 8.895 1.747 0.398 0.878 0.900 0.700 CB 0.929 11 residues pruned to eliminate duplicates Z: 20 13.252 1.736 0.398 0.567 0.895 0.474 CA 1.313 20 residues pruned to eliminate duplicates Z: 13 6.936 1.742 0.319 0.503 0.833 0.750 CB 1.043 11 residues pruned to eliminate duplicates Z: 7 4.742 1.713 0.496 0.352 0.833 0.500 CB 1.063 7 residues pruned to eliminate duplicates 7 1.762 1.394 0.578 0.346 0.667 0.500 CB 0.580 ? Z: 10 4.914 1.682 0.485 0.261 0.778 0.556 CA 1.109 10 residues pruned to eliminate duplicates Z: 6 2.315 1.431 0.410 0.680 1.000 0.600 CB 0.435 Z: 8 3.726 1.466 -0.064 0.769 1.000 0.714 CB 0.809 Z: 7 2.233 1.447 0.264 0.452 0.667 0.500 CA 0.785 7 residues pruned to eliminate duplicates Z: 6 3.458 1.234 0.434 0.514 1.000 0.800 CB 0.862 Z: 20 11.730 1.720 0.385 0.590 0.895 0.579 CB 1.158 20 residues pruned to eliminate duplicates Z: 12 16.206 1.743 0.493 0.894 1.000 0.727 CB 1.347 12 residues pruned to eliminate duplicates Z: 13 4.552 1.375 0.309 0.327 0.917 0.583 N 0.964 Z: 21 19.124 1.966 0.637 0.487 0.950 0.500 CB 1.416 24 residues pruned to eliminate duplicates Z: 7 2.348 1.450 0.748 0.267 0.833 0.333 N 0.592 Z: 14 14.563 1.815 0.557 0.792 0.923 0.538 CA 1.199 14 residues pruned to eliminate duplicates Z: 8 4.257 1.472 0.295 0.449 0.714 0.286 CB 1.245 7 residues pruned to eliminate duplicates Z: 7 9.362 1.638 0.638 0.845 0.833 0.667 CB 1.271 7 residues pruned to eliminate duplicates Z: 8 5.287 1.688 0.841 0.811 0.857 0.429 CB 0.572 8 residues pruned to eliminate duplicates Z: 9 8.760 1.599 0.763 0.437 1.000 0.750 CB 1.172 14 residues pruned to eliminate duplicates Z: 12 10.158 1.799 0.866 0.690 0.727 0.636 CB 1.054 12 residues pruned to eliminate duplicates Z: 8 5.392 1.470 0.392 0.462 1.000 0.429 CB 1.036 5 residues pruned to eliminate duplicates Z: 7 3.301 1.432 0.368 0.353 0.833 0.667 CB 0.968 Z: 8 3.028 1.460 0.386 0.295 0.714 0.429 CB 0.995 8 residues pruned to eliminate duplicates Z: 15 28.606 1.928 0.899 0.922 1.000 0.786 CA 1.469 15 residues pruned to eliminate duplicates Z: 7 2.742 1.426 0.420 0.288 0.667 0.500 O 1.053 4 residues pruned to eliminate duplicates Z: 13 7.793 1.521 0.658 0.479 1.000 0.500 CB 0.911 5 residues pruned to eliminate duplicates Z: 11 3.681 1.368 0.095 0.286 1.000 0.600 CB 0.989 Z: 7 2.162 1.664 -0.109 0.397 0.667 0.500 CB 0.996 5 residues pruned to eliminate duplicates Z: 7 12.979 1.803 0.898 0.863 1.000 0.667 N 1.136 7 residues pruned to eliminate duplicates Z: 7 7.214 1.637 0.396 0.875 1.000 0.833 CB 0.937 6 residues pruned to eliminate duplicates 7 1.754 1.309 0.467 0.103 0.833 0.500 CB 0.742 ? Z: 16 7.364 1.698 0.154 0.413 1.000 0.400 CB 1.063 16 residues pruned to eliminate duplicates Z: 15 19.648 1.760 0.657 0.824 1.000 0.857 CB 1.360 15 residues pruned to eliminate duplicates Z: 10 3.680 1.414 0.461 0.494 0.778 0.556 CB 0.768 Z: 8 4.347 1.524 0.548 0.374 0.857 0.571 CB 0.929 Z: 13 7.144 1.604 0.117 0.818 0.833 0.750 CB 1.048 11 residues pruned to eliminate duplicates Z: 12 5.255 1.499 0.295 0.369 0.909 0.636 CB 1.033 14 residues pruned to eliminate duplicates Z: 6 2.929 1.248 0.128 0.622 0.800 0.600 CB 1.036 Z: 8 7.344 1.634 0.595 0.583 1.000 0.429 CB 0.984 8 residues pruned to eliminate duplicates Z: 9 6.996 1.455 0.355 0.822 1.000 0.875 CB 0.949 8 residues pruned to eliminate duplicates Z: 10 11.171 1.572 0.700 0.905 1.000 0.889 CB 0.992 10 residues pruned to eliminate duplicates Z: 11 9.442 1.741 0.303 0.461 1.000 0.700 CB 1.371 Z: 7 2.882 1.597 0.065 0.427 0.667 0.500 N 1.120 7 residues pruned to eliminate duplicates Z: 10 9.323 1.897 0.120 0.874 1.000 0.889 CB 1.065 10 residues pruned to eliminate duplicates Z: 6 3.541 1.451 0.589 0.438 1.000 0.600 CB 0.733 Z: 13 4.602 1.569 0.648 0.450 0.750 0.500 CB 0.721 13 residues pruned to eliminate duplicates Z: 14 5.985 1.681 0.164 0.321 0.923 0.462 CB 1.119 14 residues pruned to eliminate duplicates Z: 6 6.273 1.447 0.367 0.716 1.000 0.400 N 1.166 Z: 8 7.680 1.541 0.570 0.635 0.857 0.714 CA 1.233 Z: 17 35.291 1.868 1.184 0.896 1.000 0.812 CA 1.549 17 residues pruned to eliminate duplicates Z: 17 28.794 1.820 1.023 0.887 1.000 0.688 CB 1.410 17 residues pruned to eliminate duplicates Z: 9 3.333 1.481 0.400 0.276 0.625 0.500 CB 1.173 6 residues pruned to eliminate duplicates Z: 11 17.242 1.876 0.668 0.887 1.000 0.900 CA 1.256 11 residues pruned to eliminate duplicates Z: 16 25.866 1.869 0.935 0.862 0.867 0.667 CB 1.565 16 residues pruned to eliminate duplicates Z: 7 3.973 1.750 0.553 0.316 0.833 0.333 CB 0.877 6 residues pruned to eliminate duplicates Z: 17 22.480 1.846 0.771 0.935 1.000 0.812 CA 1.198 17 residues pruned to eliminate duplicates Z: 16 8.432 1.629 0.404 0.429 0.867 0.600 CB 1.182 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 6.789 1.847 0.274 0.332 0.778 0.222 CB 1.487 10 residues pruned to eliminate duplicates Z: 12 4.884 1.730 0.152 0.205 0.818 0.273 CB 1.281 12 residues pruned to eliminate duplicates Z: 11 6.824 1.747 0.066 0.418 0.900 0.400 CB 1.402 18 residues pruned to eliminate duplicates Z: 6 2.597 1.456 0.436 0.316 0.600 0.600 N 1.134 6 residues pruned to eliminate duplicates Z: 11 7.087 1.755 0.377 0.413 0.800 0.500 CB 1.269 11 residues pruned to eliminate duplicates Z: 8 11.165 1.819 0.710 0.689 0.857 0.571 CB 1.331 8 residues pruned to eliminate duplicates Z: 10 9.262 1.764 0.514 0.448 1.000 0.778 CB 1.219 8 residues pruned to eliminate duplicates Z: 7 5.275 1.455 0.956 0.526 0.833 0.667 CB 0.885 7 residues pruned to eliminate duplicates Z: 10 7.680 1.837 0.510 0.348 0.889 0.556 CB 1.224 10 residues pruned to eliminate duplicates Z: 10 9.115 1.888 0.436 0.358 1.000 0.667 CB 1.305 10 residues pruned to eliminate duplicates Z: 6 4.685 1.394 0.559 0.461 1.000 0.600 N 1.004 Z: 7 4.678 1.682 0.202 0.368 0.833 0.500 CB 1.305 5 residues pruned to eliminate duplicates Z: 7 4.818 1.486 0.620 0.356 0.833 0.500 N 1.145 7 residues pruned to eliminate duplicates Z: 6 2.537 1.342 0.102 0.268 1.000 0.600 N 0.999 6 residues pruned to eliminate duplicates Z: 11 6.688 1.701 0.455 0.396 0.800 0.600 CB 1.192 11 residues pruned to eliminate duplicates Z: 12 9.968 1.591 0.588 0.779 0.818 0.818 CA 1.136 10 residues pruned to eliminate duplicates Z: 11 13.722 1.584 0.676 0.840 1.000 0.900 CA 1.219 11 residues pruned to eliminate duplicates Z: 11 13.110 1.616 0.728 0.797 0.900 0.900 CA 1.272 11 residues pruned to eliminate duplicates Z: 10 14.410 1.650 1.076 0.764 1.000 0.667 CA 1.109 10 residues pruned to eliminate duplicates Z: 9 16.316 1.773 1.019 0.786 1.000 0.625 CA 1.254 10 residues pruned to eliminate duplicates Z: 9 20.771 1.777 1.053 0.913 1.000 0.625 CA 1.425 9 residues pruned to eliminate duplicates Z: 9 21.125 1.784 1.086 0.903 1.000 0.875 CA 1.431 9 residues pruned to eliminate duplicates Z: 11 12.712 1.930 0.376 0.721 1.000 0.600 CB 1.240 11 residues pruned to eliminate duplicates Z: 11 17.964 2.038 0.341 0.859 1.000 0.900 CB 1.530 11 residues pruned to eliminate duplicates Z: 12 15.958 1.966 0.509 0.768 1.000 0.909 CB 1.280 12 residues pruned to eliminate duplicates Z: 11 18.632 2.033 0.398 0.852 1.000 0.800 CB 1.534 11 residues pruned to eliminate duplicates Z: 11 22.085 2.042 0.620 0.843 1.000 0.800 CB 1.572 12 residues pruned to eliminate duplicates Z: 12 20.863 1.908 0.700 0.850 1.000 0.727 CB 1.437 11 residues pruned to eliminate duplicates Z: 10 20.859 2.044 0.592 0.852 1.000 0.889 CB 1.581 10 residues pruned to eliminate duplicates Z: 11 23.290 2.016 0.793 0.821 1.000 0.800 CB 1.543 12 residues pruned to eliminate duplicates Z: 13 17.611 1.807 0.562 0.818 1.000 0.667 CA 1.367 13 residues pruned to eliminate duplicates Z: 11 10.841 1.773 0.467 0.777 1.000 0.600 CB 1.032 11 residues pruned to eliminate duplicates Z: 8 11.075 1.818 0.765 0.742 0.857 0.714 CB 1.226 8 residues pruned to eliminate duplicates Z: 12 8.915 1.646 0.633 0.654 0.909 0.545 CB 0.953 12 residues pruned to eliminate duplicates Z: 9 10.853 1.829 0.561 0.898 1.000 0.875 CB 0.962 9 residues pruned to eliminate duplicates Z: 12 8.864 1.723 0.443 0.718 0.909 0.545 CB 0.971 12 residues pruned to eliminate duplicates Z: 11 10.704 1.800 0.450 0.763 1.000 0.800 CB 1.026 11 residues pruned to eliminate duplicates Z: 11 11.418 1.801 0.599 0.810 1.000 0.700 CB 0.957 11 residues pruned to eliminate duplicates Z: 11 11.163 1.794 0.565 0.786 1.000 0.600 CB 0.978 11 residues pruned to eliminate duplicates Z: 6 5.946 1.809 0.235 0.485 1.000 0.600 CA 1.209 6 residues pruned to eliminate duplicates Z: 20 12.704 1.691 0.387 0.536 0.947 0.579 CA 1.266 24 residues pruned to eliminate duplicates Z: 22 21.110 1.833 0.649 0.797 0.952 0.714 CA 1.234 22 residues pruned to eliminate duplicates Z: 23 17.255 1.848 0.583 0.691 0.909 0.545 CA 1.161 23 residues pruned to eliminate duplicates Z: 24 18.697 1.849 0.623 0.683 1.000 0.652 CA 1.098 24 residues pruned to eliminate duplicates Z: 20 15.510 1.820 0.671 0.538 0.947 0.632 CA 1.189 20 residues pruned to eliminate duplicates Z: 25 23.125 1.833 0.772 0.701 1.000 0.750 CB 1.210 25 residues pruned to eliminate duplicates Z: 24 18.838 1.856 0.676 0.699 0.913 0.696 CB 1.154 24 residues pruned to eliminate duplicates Z: 20 16.033 1.833 0.624 0.564 0.947 0.579 CA 1.226 20 residues pruned to eliminate duplicates Z: 14 6.734 1.703 0.380 0.483 0.846 0.462 CB 0.956 14 residues pruned to eliminate duplicates Z: 23 22.941 1.873 0.700 0.735 1.000 0.682 CA 1.243 23 residues pruned to eliminate duplicates Z: 15 19.982 1.887 1.030 0.797 0.929 0.500 CB 1.158 15 residues pruned to eliminate duplicates Z: 15 14.735 1.788 0.868 0.695 0.929 0.643 CB 1.063 15 residues pruned to eliminate duplicates Z: 15 17.507 1.862 0.999 0.792 0.857 0.571 CB 1.135 15 residues pruned to eliminate duplicates Z: 23 23.162 1.859 0.841 0.745 0.955 0.500 CB 1.215 23 residues pruned to eliminate duplicates Z: 14 22.533 1.871 0.976 0.866 0.923 0.846 CB 1.341 14 residues pruned to eliminate duplicates Z: 26 19.401 1.807 0.829 0.715 0.920 0.600 CB 1.050 25 residues pruned to eliminate duplicates Z: 15 19.172 1.845 0.953 0.898 1.000 0.500 CB 1.017 15 residues pruned to eliminate duplicates Z: 17 23.737 1.841 0.892 0.935 1.000 0.938 CA 1.187 17 residues pruned to eliminate duplicates Z: 16 11.032 1.516 0.633 0.661 0.933 0.733 CA 1.062 9 residues pruned to eliminate duplicates Z: 10 11.109 1.705 0.625 0.833 1.000 0.778 CA 1.003 10 residues pruned to eliminate duplicates Z: 8 11.339 1.766 0.727 0.830 1.000 0.714 CA 1.057 8 residues pruned to eliminate duplicates Z: 10 9.728 1.732 0.719 0.722 0.889 0.556 CA 1.002 10 residues pruned to eliminate duplicates Z: 9 10.865 1.782 0.600 0.830 1.000 0.750 CA 1.014 9 residues pruned to eliminate duplicates Z: 10 11.467 1.777 0.544 0.826 1.000 0.667 CA 1.050 10 residues pruned to eliminate duplicates Z: 9 8.578 1.766 0.448 0.803 0.875 0.625 CA 1.040 9 residues pruned to eliminate duplicates Z: 8 10.765 1.784 0.545 0.890 1.000 0.857 CA 1.062 8 residues pruned to eliminate duplicates Z: 9 11.938 1.769 0.465 0.901 1.000 1.000 CA 1.162 9 residues pruned to eliminate duplicates Z: 13 12.705 1.606 0.785 0.752 0.917 0.667 CA 1.116 13 residues pruned to eliminate duplicates Z: 6 4.050 1.535 0.605 0.242 1.000 0.200 O 0.991 Z: 14 8.010 1.682 0.478 0.298 0.846 0.538 CA 1.323 24 residues pruned to eliminate duplicates Z: 8 3.218 1.317 0.036 0.442 0.857 0.571 CB 1.104 8 residues pruned to eliminate duplicates Z: 11 5.248 1.704 0.135 0.212 0.900 0.700 CB 1.339 11 residues pruned to eliminate duplicates Z: 9 5.197 1.576 0.356 0.276 0.875 0.500 O 1.267 9 residues pruned to eliminate duplicates Z: 7 5.215 1.581 0.103 0.520 1.000 0.667 CB 1.196 7 residues pruned to eliminate duplicates Z: 11 4.054 1.544 0.376 0.216 0.800 0.600 CB 1.054 11 residues pruned to eliminate duplicates Z: 10 6.142 1.506 0.659 0.241 0.889 0.444 CB 1.244 9 residues pruned to eliminate duplicates Z: 10 6.808 1.758 0.214 0.861 0.889 0.778 CB 0.879 10 residues pruned to eliminate duplicates Z: 12 8.259 1.720 0.179 0.733 1.000 0.818 CB 0.996 13 residues pruned to eliminate duplicates Z: 11 8.599 1.679 0.247 0.843 1.000 0.800 CB 0.967 12 residues pruned to eliminate duplicates Z: 13 10.535 1.691 0.310 0.855 1.000 0.917 CB 1.013 11 residues pruned to eliminate duplicates Z: 11 11.626 1.752 0.566 0.884 1.000 0.900 CB 0.969 11 residues pruned to eliminate duplicates Z: 11 10.618 1.747 0.461 0.886 1.000 1.000 CB 0.950 11 residues pruned to eliminate duplicates Z: 16 9.858 1.686 0.559 0.763 0.933 0.800 CB 0.822 11 residues pruned to eliminate duplicates Z: 16 9.215 1.705 0.457 0.686 0.867 0.667 CB 0.931 16 residues pruned to eliminate duplicates Z: 15 7.917 1.610 0.409 0.590 0.929 0.571 CB 0.922 15 residues pruned to eliminate duplicates Z: 17 8.709 1.746 0.304 0.683 0.875 0.500 CB 0.924 17 residues pruned to eliminate duplicates Z: 18 10.231 1.767 0.439 0.619 0.941 0.529 CB 0.927 18 residues pruned to eliminate duplicates Z: 24 10.269 1.761 0.616 0.472 0.870 0.435 CB 0.890 24 residues pruned to eliminate duplicates Z: 25 14.448 1.775 0.568 0.532 0.958 0.500 CB 1.072 25 residues pruned to eliminate duplicates Z: 16 7.968 1.688 0.815 0.263 0.867 0.467 CB 1.016 16 residues pruned to eliminate duplicates Z: 13 4.847 1.594 0.553 0.241 0.917 0.250 CB 0.832 13 residues pruned to eliminate duplicates Z: 11 3.837 1.543 0.667 0.176 0.700 0.300 CB 0.997 11 residues pruned to eliminate duplicates Z: 9 5.341 1.726 0.690 0.168 0.875 0.500 CB 1.108 9 residues pruned to eliminate duplicates Z: 11 6.156 1.743 0.672 0.276 0.800 0.300 CB 1.076 11 residues pruned to eliminate duplicates Z: 16 8.406 1.693 0.517 0.235 1.000 0.533 CB 1.150 15 residues pruned to eliminate duplicates Z: 9 11.385 1.727 0.516 0.728 1.000 0.625 CB 1.251 11 residues pruned to eliminate duplicates Z: 9 12.071 1.817 0.530 0.695 1.000 0.625 CB 1.286 9 residues pruned to eliminate duplicates Z: 15 12.407 1.812 0.312 0.603 1.000 0.643 CB 1.264 15 residues pruned to eliminate duplicates Z: 15 15.342 1.799 0.523 0.679 1.000 0.714 CB 1.269 20 residues pruned to eliminate duplicates Z: 7 10.158 1.840 0.212 0.850 1.000 1.000 CB 1.378 7 residues pruned to eliminate duplicates Z: 15 15.234 1.839 0.646 0.646 0.929 0.643 CB 1.265 15 residues pruned to eliminate duplicates Z: 7 14.714 1.892 0.668 0.815 1.000 0.667 CB 1.447 7 residues pruned to eliminate duplicates Z: 18 14.580 1.742 0.781 0.590 0.941 0.588 CB 1.112 16 residues pruned to eliminate duplicates Z: 6 3.177 1.509 0.506 0.305 0.600 0.400 CB 1.294 6 residues pruned to eliminate duplicates Z: 12 8.203 1.650 0.599 0.313 0.909 0.455 CB 1.268 12 residues pruned to eliminate duplicates Z: 7 3.495 1.512 0.224 0.378 0.833 0.333 CB 1.053 Z: 20 11.869 1.627 0.434 0.784 0.895 0.737 CB 1.016 22 residues pruned to eliminate duplicates Z: 9 5.291 1.522 0.760 0.594 0.875 0.500 CB 0.730 9 residues pruned to eliminate duplicates Z: 12 4.554 1.529 0.458 0.441 0.818 0.364 CB 0.800 12 residues pruned to eliminate duplicates Z: 12 6.326 1.556 0.341 0.555 0.909 0.636 CB 0.953 12 residues pruned to eliminate duplicates Z: 27 13.735 1.694 0.330 0.657 0.962 0.538 CB 1.075 28 residues pruned to eliminate duplicates Z: 16 12.793 1.628 0.665 0.872 0.933 0.667 CB 0.952 16 residues pruned to eliminate duplicates Z: 11 7.330 1.640 0.284 0.582 0.900 0.600 CB 1.130 11 residues pruned to eliminate duplicates Z: 8 7.054 1.657 0.573 0.614 0.857 0.714 CA 1.072 8 residues pruned to eliminate duplicates Z: 13 14.302 1.802 0.683 0.624 1.000 0.750 CB 1.211 15 residues pruned to eliminate duplicates Z: 16 13.193 1.693 0.544 0.840 0.933 0.600 CB 1.042 16 residues pruned to eliminate duplicates Z: 19 7.059 1.573 0.317 0.704 0.833 0.778 CB 0.800 19 residues pruned to eliminate duplicates Z: 10 11.332 1.678 0.722 0.797 0.889 0.556 CB 1.134 10 residues pruned to eliminate duplicates Z: 16 12.251 1.714 0.421 0.604 1.000 0.600 CB 1.176 14 residues pruned to eliminate duplicates Z: 15 14.616 1.666 0.708 0.829 1.000 0.500 CB 1.033 15 residues pruned to eliminate duplicates Z: 19 12.212 1.667 0.547 0.756 0.833 0.444 CB 1.066 19 residues pruned to eliminate duplicates Z: 13 4.727 1.579 0.126 0.257 0.917 0.583 CB 1.107 9 residues pruned to eliminate duplicates Z: 21 13.029 1.638 0.643 0.695 1.000 0.600 CB 0.906 25 residues pruned to eliminate duplicates Z: 12 7.358 1.459 0.247 0.845 1.000 0.818 CB 0.907 11 residues pruned to eliminate duplicates Z: 9 4.925 1.456 0.295 0.790 1.000 0.625 CB 0.716 9 residues pruned to eliminate duplicates Z: 6 2.561 1.569 0.640 0.468 0.800 0.800 CB 0.575 6 residues pruned to eliminate duplicates Z: 9 4.668 1.437 0.487 0.810 1.000 0.875 CB 0.590 9 residues pruned to eliminate duplicates Z: 10 6.492 1.515 0.247 0.842 1.000 0.778 CB 0.854 10 residues pruned to eliminate duplicates Z: 10 6.711 1.501 0.308 0.815 1.000 0.778 CB 0.866 10 residues pruned to eliminate duplicates Z: 10 7.986 1.472 0.440 0.829 1.000 0.778 CB 0.945 10 residues pruned to eliminate duplicates Z: 7 3.747 1.265 0.550 0.597 0.833 0.333 CB 0.853 7 residues pruned to eliminate duplicates Z: 7 2.526 1.382 0.401 0.629 0.833 0.667 CB 0.566 7 residues pruned to eliminate duplicates Z: 9 5.135 1.492 0.612 0.852 1.000 0.750 CB 0.558 9 residues pruned to eliminate duplicates Z: 15 3.975 1.679 0.305 0.118 0.714 0.500 CB 1.097 15 residues pruned to eliminate duplicates Z: 11 5.320 1.745 0.458 0.241 0.900 0.600 CA 0.992 11 residues pruned to eliminate duplicates Z: 10 6.032 1.748 0.552 0.198 0.889 0.778 CA 1.194 10 residues pruned to eliminate duplicates Z: 12 7.548 1.717 0.478 0.320 0.909 0.727 CA 1.203 12 residues pruned to eliminate duplicates Z: 25 8.280 1.589 0.520 0.338 0.875 0.333 CB 0.954 25 residues pruned to eliminate duplicates Z: 18 5.854 1.612 0.269 0.253 0.882 0.412 CA 1.045 18 residues pruned to eliminate duplicates Z: 20 5.894 1.671 0.208 0.289 0.842 0.368 CB 1.008 20 residues pruned to eliminate duplicates Z: 19 7.146 1.709 0.289 0.418 0.833 0.389 CB 1.000 19 residues pruned to eliminate duplicates Z: 8 2.979 1.590 0.460 0.529 0.571 0.143 CB 0.824 8 residues pruned to eliminate duplicates Z: 8 3.656 1.665 0.342 0.494 0.714 0.143 CB 0.872 8 residues pruned to eliminate duplicates Z: 8 3.128 1.619 0.425 0.533 0.571 0.143 CB 0.868 8 residues pruned to eliminate duplicates Z: 7 5.159 1.776 0.279 0.586 0.833 0.167 CB 1.024 7 residues pruned to eliminate duplicates Z: 28 12.170 1.807 0.309 0.441 0.852 0.556 CB 1.236 36 residues pruned to eliminate duplicates Z: 7 3.843 1.429 0.722 0.510 0.667 0.167 CB 0.946 7 residues pruned to eliminate duplicates Z: 6 4.227 1.617 0.513 0.513 0.600 0.200 CB 1.270 6 residues pruned to eliminate duplicates Z: 24 10.399 1.735 0.301 0.428 0.913 0.522 CB 1.134 21 residues pruned to eliminate duplicates Z: 8 4.173 1.569 0.109 0.473 0.857 0.429 CB 1.087 8 residues pruned to eliminate duplicates Z: 13 10.404 1.815 0.423 0.517 0.917 0.667 CB 1.247 13 residues pruned to eliminate duplicates Z: 25 13.309 1.761 0.500 0.334 0.917 0.417 CB 1.345 65 residues pruned to eliminate duplicates Z: 14 8.840 1.715 0.244 0.511 0.923 0.538 N 1.231 Z: 8 6.237 1.316 1.036 0.598 0.857 0.714 CA 0.935 8 residues pruned to eliminate duplicates Z: 11 9.566 1.727 0.566 0.515 0.900 0.500 CA 1.224 10 residues pruned to eliminate duplicates Z: 13 17.179 1.641 0.688 0.875 1.000 0.750 CB 1.302 12 residues pruned to eliminate duplicates Z: 13 18.343 1.666 0.759 0.883 1.000 1.000 CB 1.306 13 residues pruned to eliminate duplicates Z: 11 19.058 1.855 0.580 0.847 1.000 0.700 CB 1.526 11 residues pruned to eliminate duplicates Z: 12 13.258 1.732 0.461 0.784 0.909 0.636 CB 1.354 12 residues pruned to eliminate duplicates Z: 12 11.535 1.779 0.439 0.740 0.818 0.727 CB 1.338 12 residues pruned to eliminate duplicates Z: 12 11.449 1.853 0.491 0.767 0.818 0.727 CB 1.206 12 residues pruned to eliminate duplicates Z: 15 9.394 1.574 0.351 0.647 0.929 0.500 CB 1.108 15 residues pruned to eliminate duplicates Z: 12 14.377 1.763 0.713 0.771 0.909 0.545 CB 1.243 12 residues pruned to eliminate duplicates Z: 13 10.723 1.676 0.437 0.750 0.833 0.667 CB 1.233 13 residues pruned to eliminate duplicates Z: 18 9.906 1.599 0.531 0.592 0.824 0.706 CB 1.091 18 residues pruned to eliminate duplicates Z: 12 12.788 1.665 0.698 0.734 1.000 0.727 CA 1.105 12 residues pruned to eliminate duplicates Z: 12 10.075 1.732 0.590 0.646 0.818 0.636 CB 1.177 12 residues pruned to eliminate duplicates Z: 14 9.452 1.652 0.437 0.590 0.846 0.615 CB 1.198 14 residues pruned to eliminate duplicates Z: 12 10.926 1.704 0.749 0.764 0.818 0.545 CB 1.069 12 residues pruned to eliminate duplicates Z: 10 12.906 1.801 0.694 0.768 1.000 0.667 CA 1.113 10 residues pruned to eliminate duplicates Z: 11 12.300 1.791 0.899 0.745 0.800 0.700 CA 1.149 12 residues pruned to eliminate duplicates Z: 9 4.398 1.613 0.343 0.652 0.875 0.375 CB 0.712 9 residues pruned to eliminate duplicates Z: 17 7.521 1.733 0.261 0.659 0.938 0.688 CB 0.792 17 residues pruned to eliminate duplicates Z: 11 7.652 1.773 0.415 0.717 0.900 0.600 CB 0.881 11 residues pruned to eliminate duplicates Z: 9 11.092 1.898 0.368 0.891 1.000 0.750 CB 1.086 9 residues pruned to eliminate duplicates Z: 9 9.344 1.864 0.215 0.877 1.000 0.750 CB 1.059 9 residues pruned to eliminate duplicates Z: 17 9.079 1.712 0.184 0.655 0.938 0.625 CB 1.035 17 residues pruned to eliminate duplicates Z: 10 9.677 1.828 0.592 0.848 0.889 0.778 CB 0.925 10 residues pruned to eliminate duplicates Z: 12 9.829 1.760 0.533 0.759 0.909 0.545 CB 0.960 12 residues pruned to eliminate duplicates Z: 11 8.828 1.725 0.688 0.629 0.900 0.600 CB 0.944 11 residues pruned to eliminate duplicates Z: 8 2.154 1.597 0.156 0.257 0.714 0.143 CB 0.816 8 residues pruned to eliminate duplicates Z: 27 12.356 1.636 0.499 0.435 0.962 0.615 CB 1.099 27 residues pruned to eliminate duplicates Z: 18 11.702 1.667 0.560 0.612 1.000 0.647 CB 0.981 19 residues pruned to eliminate duplicates Z: 8 4.592 1.614 0.475 0.421 0.857 0.143 CB 0.924 8 residues pruned to eliminate duplicates Z: 10 4.459 1.672 0.354 0.427 0.778 0.556 CB 0.911 10 residues pruned to eliminate duplicates Z: 11 6.046 1.549 0.351 0.497 1.000 0.500 CB 0.916 11 residues pruned to eliminate duplicates Z: 20 8.507 1.650 0.433 0.352 0.895 0.263 CB 1.083 20 residues pruned to eliminate duplicates Z: 9 4.412 1.632 0.365 0.406 1.000 0.500 CB 0.773 9 residues pruned to eliminate duplicates Z: 12 6.995 1.707 0.383 0.487 0.909 0.455 CB 0.995 12 residues pruned to eliminate duplicates Z: 21 9.621 1.793 0.310 0.401 0.950 0.400 CB 1.071 21 residues pruned to eliminate duplicates Z: 22 7.268 1.718 0.226 0.321 0.905 0.429 CB 1.014 22 residues pruned to eliminate duplicates Z: 20 10.427 1.791 0.429 0.391 0.947 0.474 CB 1.107 20 residues pruned to eliminate duplicates Z: 20 9.324 1.787 0.412 0.377 0.947 0.526 CB 1.020 20 residues pruned to eliminate duplicates Z: 20 9.037 1.759 0.470 0.423 0.842 0.526 CB 1.032 20 residues pruned to eliminate duplicates Z: 10 7.546 1.887 0.538 0.269 0.889 0.667 CB 1.268 10 residues pruned to eliminate duplicates Z: 9 6.032 1.824 0.465 0.424 0.750 0.625 CB 1.152 Z: 20 14.658 1.786 0.474 0.751 0.947 0.526 CB 1.078 40 residues pruned to eliminate duplicates Z: 19 15.410 1.842 0.669 0.682 1.000 0.611 CB 0.999 19 residues pruned to eliminate duplicates Z: 26 14.873 1.785 0.729 0.507 0.840 0.480 CB 1.139 26 residues pruned to eliminate duplicates Z: 15 13.158 1.796 0.675 0.571 1.000 0.643 CB 1.091 Z: 7 5.678 1.527 0.445 0.683 0.667 0.500 CA 1.332 7 residues pruned to eliminate duplicates Z: 15 11.997 1.812 0.509 0.554 0.929 0.714 CB 1.198 15 residues pruned to eliminate duplicates Z: 42 14.687 1.742 0.417 0.460 0.878 0.585 CB 1.102 39 residues pruned to eliminate duplicates Z: 24 18.100 1.664 0.703 0.687 0.957 0.522 CA 1.173 67 residues pruned to eliminate duplicates Z: 22 10.536 1.710 0.791 0.401 0.810 0.667 CB 1.030 Z: 8 3.166 1.350 0.526 0.501 0.857 0.571 CB 0.677 Z: 6 4.681 1.856 0.805 0.426 0.800 0.600 CB 0.844 Z: 6 5.379 1.672 0.895 0.459 1.000 0.800 CA 0.792 6 residues pruned to eliminate duplicates Z: 6 8.449 1.871 0.511 0.468 1.000 0.800 N 1.380 6 residues pruned to eliminate duplicates Z: 7 8.600 1.772 0.605 0.510 1.000 0.833 CB 1.223 6 residues pruned to eliminate duplicates Z: 18 14.304 1.754 0.423 0.631 1.000 0.647 CA 1.230 5 residues pruned to eliminate duplicates Z: 11 19.565 2.091 0.757 0.760 1.000 0.800 CA 1.337 11 residues pruned to eliminate duplicates Z: 18 14.606 1.996 0.476 0.504 0.941 0.471 CB 1.273 18 residues pruned to eliminate duplicates Z: 14 18.173 1.995 0.582 0.612 1.000 0.692 CB 1.436 17 residues pruned to eliminate duplicates Z: 12 16.335 1.996 0.602 0.801 1.000 0.636 CA 1.184 12 residues pruned to eliminate duplicates Z: 13 11.715 1.985 0.196 0.605 0.917 0.667 CB 1.406 13 residues pruned to eliminate duplicates Z: 54 25.546 1.885 0.587 0.557 0.943 0.623 CB 1.176 93 residues pruned to eliminate duplicates Z: 35 12.450 1.784 0.389 0.327 0.882 0.441 CB 1.180 35 residues pruned to eliminate duplicates Z: 15 12.292 1.937 0.397 0.534 0.857 0.643 CB 1.370 Z: 11 15.010 1.998 0.598 0.802 0.900 0.700 CB 1.269 15 residues pruned to eliminate duplicates Z: 12 13.542 1.915 0.575 0.766 0.818 0.364 CA 1.307 12 residues pruned to eliminate duplicates Z: 7 4.702 1.752 0.499 0.247 0.667 0.167 CB 1.467 Z: 6 2.801 1.327 1.273 0.278 0.600 0.000 N 0.889 6 residues pruned to eliminate duplicates Z: 6 6.939 1.788 0.878 0.282 1.000 0.200 CB 1.182 4 residues pruned to eliminate duplicates Z: 7 4.360 1.641 0.503 0.327 1.000 0.333 CB 0.873 4 residues pruned to eliminate duplicates Z: 8 4.019 1.650 0.335 0.436 0.857 0.286 CB 0.860 7 residues pruned to eliminate duplicates Z: 6 2.747 1.745 0.352 0.320 0.800 0.400 CB 0.794 4 residues pruned to eliminate duplicates Z: 15 18.281 1.954 0.293 0.842 0.929 0.857 CA 1.552 15 residues pruned to eliminate duplicates Z: 23 16.417 1.857 0.313 0.690 0.909 0.773 CB 1.327 23 residues pruned to eliminate duplicates Z: 15 18.345 1.831 0.607 0.815 0.929 0.643 CA 1.364 15 residues pruned to eliminate duplicates Z: 18 15.818 1.878 0.301 0.788 0.941 0.647 CB 1.295 18 residues pruned to eliminate duplicates Z: 15 13.177 1.895 0.232 0.772 0.929 0.786 CA 1.277 15 residues pruned to eliminate duplicates Z: 15 19.781 1.969 0.419 0.803 1.000 0.786 CA 1.453 15 residues pruned to eliminate duplicates Z: 19 17.935 1.863 0.456 0.747 0.944 0.611 CA 1.324 19 residues pruned to eliminate duplicates Z: 18 17.322 1.906 0.402 0.764 0.882 0.765 CB 1.409 18 residues pruned to eliminate duplicates Z: 24 19.273 1.868 0.460 0.670 0.913 0.609 CB 1.380 23 residues pruned to eliminate duplicates Z: 15 18.053 1.770 0.693 0.878 0.929 0.857 CB 1.258 15 residues pruned to eliminate duplicates Z: 17 19.085 1.947 0.584 0.752 0.938 0.562 CB 1.317 17 residues pruned to eliminate duplicates Z: 15 19.686 1.928 0.703 0.794 0.929 0.643 CB 1.334 14 residues pruned to eliminate duplicates Z: 13 20.922 1.974 0.536 0.905 1.000 1.000 CB 1.418 13 residues pruned to eliminate duplicates Z: 21 16.627 1.885 0.389 0.744 0.950 0.550 CB 1.202 21 residues pruned to eliminate duplicates Z: 27 18.709 1.841 0.582 0.568 0.885 0.538 CB 1.333 34 residues pruned to eliminate duplicates Z: 16 16.137 1.886 0.657 0.725 0.800 0.400 CB 1.361 16 residues pruned to eliminate duplicates Z: 10 3.368 1.601 0.262 0.177 0.778 0.222 CB 1.055 12 residues pruned to eliminate duplicates Z: 6 2.550 1.389 0.278 0.235 0.800 0.600 CA 1.092 4 residues pruned to eliminate duplicates Z: 6 8.127 1.843 0.611 0.498 1.000 0.600 CB 1.226 9 residues pruned to eliminate duplicates Z: 6 4.044 1.632 0.433 0.327 0.800 0.600 CA 1.169 6 residues pruned to eliminate duplicates Z: 8 5.311 1.745 0.442 0.363 1.000 0.571 CB 0.924 8 residues pruned to eliminate duplicates Z: 6 6.548 1.867 0.385 0.475 1.000 0.600 CB 1.161 5 residues pruned to eliminate duplicates Z: 7 7.875 1.809 0.851 0.549 0.833 0.833 CB 1.098 7 residues pruned to eliminate duplicates Z: 41 17.666 1.889 0.625 0.399 0.825 0.575 CB 1.227 41 residues pruned to eliminate duplicates Z: 17 14.635 1.913 0.719 0.340 0.938 0.438 CB 1.412 15 residues pruned to eliminate duplicates Z: 9 8.000 1.705 0.718 0.642 0.875 0.625 CA 0.967 10 residues pruned to eliminate duplicates Z: 9 5.380 1.674 0.585 0.464 0.875 0.500 CA 0.849 9 residues pruned to eliminate duplicates Z: 34 22.029 1.891 0.694 0.473 0.879 0.606 CB 1.399 34 residues pruned to eliminate duplicates Z: 12 12.155 1.991 0.663 0.352 0.909 0.455 CA 1.429 12 residues pruned to eliminate duplicates Z: 14 14.682 1.989 0.753 0.432 0.846 0.462 CA 1.482 14 residues pruned to eliminate duplicates Z: 54 24.072 1.884 0.459 0.497 0.887 0.604 CB 1.361 54 residues pruned to eliminate duplicates Z: 17 14.211 1.916 0.480 0.365 0.938 0.438 CA 1.545 16 residues pruned to eliminate duplicates Z: 10 13.763 1.941 0.886 0.377 0.889 0.222 CA 1.609 10 residues pruned to eliminate duplicates Z: 22 14.208 1.937 0.525 0.375 0.952 0.476 CB 1.259 22 residues pruned to eliminate duplicates Z: 35 20.445 1.903 0.640 0.403 0.912 0.500 CA 1.364 35 residues pruned to eliminate duplicates Z: 25 15.261 1.901 0.620 0.373 0.875 0.542 CB 1.325 25 residues pruned to eliminate duplicates Z: 21 8.892 1.842 0.461 0.232 0.750 0.250 CB 1.346 21 residues pruned to eliminate duplicates Z: 31 23.046 1.929 0.759 0.471 0.967 0.433 CB 1.321 31 residues pruned to eliminate duplicates Z: 39 16.635 1.818 0.593 0.373 0.842 0.474 CB 1.268 39 residues pruned to eliminate duplicates Z: 35 19.172 1.925 0.564 0.422 0.912 0.529 CB 1.298 35 residues pruned to eliminate duplicates Z: 30 18.046 1.922 0.595 0.389 0.897 0.483 CA 1.371 30 residues pruned to eliminate duplicates Z: 32 21.525 1.889 0.703 0.475 0.871 0.581 CA 1.416 32 residues pruned to eliminate duplicates Z: 39 20.980 1.915 0.630 0.429 0.921 0.447 CB 1.275 39 residues pruned to eliminate duplicates Z: 26 20.765 1.963 0.577 0.509 0.920 0.600 CA 1.445 26 residues pruned to eliminate duplicates Z: 39 22.588 1.909 0.703 0.434 0.895 0.553 CB 1.348 39 residues pruned to eliminate duplicates Z: 34 23.094 1.894 0.773 0.440 0.909 0.606 CA 1.401 34 residues pruned to eliminate duplicates Z: 31 24.412 1.908 0.826 0.499 0.900 0.600 CA 1.423 31 residues pruned to eliminate duplicates Z: 36 18.562 1.856 0.446 0.577 0.886 0.657 CA 1.226 36 residues pruned to eliminate duplicates Z: 42 17.837 1.856 0.609 0.391 0.805 0.512 CB 1.300 42 residues pruned to eliminate duplicates Z: 31 21.221 1.959 0.620 0.476 0.900 0.567 CB 1.390 31 residues pruned to eliminate duplicates Z: 16 10.901 1.749 0.638 0.408 0.867 0.533 CB 1.249 16 residues pruned to eliminate duplicates Z: 24 11.053 1.829 0.423 0.313 0.870 0.478 CB 1.253 24 residues pruned to eliminate duplicates Z: 21 12.164 1.774 0.813 0.352 0.900 0.550 CA 1.103 21 residues pruned to eliminate duplicates Z: 40 19.138 1.909 0.640 0.397 0.846 0.487 CB 1.290 40 residues pruned to eliminate duplicates Z: 14 5.210 1.746 0.277 0.202 0.846 0.462 CB 1.091 14 residues pruned to eliminate duplicates Z: 43 17.551 1.831 0.577 0.349 0.857 0.571 CB 1.288 43 residues pruned to eliminate duplicates Z: 52 20.200 1.834 0.639 0.413 0.843 0.549 CB 1.222 52 residues pruned to eliminate duplicates Z: 37 21.637 1.838 0.522 0.557 0.972 0.639 CA 1.254 37 residues pruned to eliminate duplicates Z: 51 25.969 1.890 0.696 0.458 0.840 0.500 CB 1.423 51 residues pruned to eliminate duplicates Z: 53 26.255 1.891 0.585 0.499 0.923 0.558 CB 1.316 53 residues pruned to eliminate duplicates Z: 19 21.057 1.842 0.686 0.766 0.889 0.833 N 1.421 19 residues pruned to eliminate duplicates Z: 18 21.171 1.872 0.589 0.804 0.941 0.882 CA 1.406 18 residues pruned to eliminate duplicates Z: 21 19.206 1.802 0.591 0.695 0.950 0.600 CB 1.320 21 residues pruned to eliminate duplicates Z: 19 20.813 1.868 0.564 0.738 0.944 0.722 CA 1.436 19 residues pruned to eliminate duplicates Z: 15 24.154 1.913 0.909 0.789 0.929 0.643 CB 1.478 15 residues pruned to eliminate duplicates Z: 50 26.276 1.854 0.653 0.485 0.898 0.551 CB 1.385 50 residues pruned to eliminate duplicates Z: 32 21.160 1.813 0.572 0.604 0.903 0.742 CA 1.337 32 residues pruned to eliminate duplicates Z: 21 17.563 1.849 0.562 0.657 0.950 0.700 CB 1.237 21 residues pruned to eliminate duplicates Z: 15 29.724 1.964 0.892 0.906 1.000 0.786 CB 1.520 15 residues pruned to eliminate duplicates Z: 52 26.165 1.854 0.752 0.488 0.863 0.471 CB 1.324 52 residues pruned to eliminate duplicates Z: 17 24.615 1.923 0.729 0.817 1.000 0.625 CB 1.406 17 residues pruned to eliminate duplicates Z: 17 25.859 1.907 0.845 0.838 1.000 0.875 CB 1.374 17 residues pruned to eliminate duplicates Z: 17 22.978 1.932 0.599 0.820 1.000 0.688 CA 1.408 17 residues pruned to eliminate duplicates Z: 40 25.800 1.919 0.553 0.608 0.897 0.615 CB 1.393 40 residues pruned to eliminate duplicates Z: 67 30.316 1.931 0.542 0.528 0.894 0.561 CB 1.364 67 residues pruned to eliminate duplicates Z: 27 15.881 1.792 0.697 0.387 0.769 0.500 CB 1.502 38 residues pruned to eliminate duplicates Z: 39 24.860 1.899 0.536 0.587 0.921 0.684 CA 1.381 39 residues pruned to eliminate duplicates Z: 48 24.744 1.885 0.616 0.516 0.894 0.553 CB 1.305 48 residues pruned to eliminate duplicates Z: 44 26.104 1.901 0.716 0.548 0.907 0.512 CB 1.284 44 residues pruned to eliminate duplicates Z: 39 29.101 1.923 0.681 0.633 0.947 0.684 CB 1.362 39 residues pruned to eliminate duplicates Z: 21 22.448 1.967 0.761 0.556 1.000 0.800 CA 1.373 21 residues pruned to eliminate duplicates Z: 21 22.965 2.016 0.729 0.560 0.950 0.650 CA 1.463 21 residues pruned to eliminate duplicates Z: 24 15.810 1.884 0.669 0.494 0.826 0.565 CA 1.277 24 residues pruned to eliminate duplicates Z: 26 20.626 1.838 0.634 0.522 0.960 0.600 CB 1.401 26 residues pruned to eliminate duplicates Z: 37 21.367 1.935 0.580 0.513 0.861 0.583 CA 1.335 37 residues pruned to eliminate duplicates Z: 27 19.691 1.902 0.563 0.496 0.885 0.577 CB 1.474 27 residues pruned to eliminate duplicates Z: 31 20.426 1.875 0.554 0.516 0.933 0.600 CA 1.349 31 residues pruned to eliminate duplicates Z: 32 21.515 1.925 0.580 0.508 0.871 0.645 CB 1.448 32 residues pruned to eliminate duplicates Z: 23 21.596 1.942 0.891 0.525 0.864 0.591 CB 1.416 23 residues pruned to eliminate duplicates Z: 24 16.224 1.892 0.577 0.492 0.870 0.696 CA 1.315 24 residues pruned to eliminate duplicates Z: 74 34.998 1.913 0.716 0.504 0.918 0.562 CB 1.353 74 residues pruned to eliminate duplicates Z: 38 24.944 1.918 0.567 0.564 0.919 0.757 CA 1.395 38 residues pruned to eliminate duplicates Z: 33 17.826 1.914 0.716 0.408 0.812 0.531 CB 1.301 33 residues pruned to eliminate duplicates Z: 42 24.432 1.891 0.537 0.584 0.902 0.732 CB 1.342 42 residues pruned to eliminate duplicates Z: 55 24.171 1.846 0.447 0.500 0.926 0.574 CB 1.330 55 residues pruned to eliminate duplicates Z: 56 25.224 1.877 0.559 0.537 0.855 0.655 CB 1.312 56 residues pruned to eliminate duplicates Z: 19 8.902 1.812 0.200 0.474 0.833 0.667 CA 1.189 19 residues pruned to eliminate duplicates Z: 28 17.811 1.958 0.577 0.399 0.889 0.630 CB 1.388 28 residues pruned to eliminate duplicates Z: 42 21.892 1.858 0.576 0.446 0.927 0.585 CB 1.332 42 residues pruned to eliminate duplicates Z: 24 8.163 1.678 0.438 0.348 0.783 0.522 CB 1.062 24 residues pruned to eliminate duplicates Z: 19 11.577 1.817 0.417 0.424 0.833 0.722 CB 1.376 19 residues pruned to eliminate duplicates Z: 11 12.934 1.816 0.430 0.761 0.900 0.900 N 1.387 11 residues pruned to eliminate duplicates Z: 14 16.299 1.787 0.650 0.732 0.923 0.615 CA 1.348 14 residues pruned to eliminate duplicates Z: 15 23.189 1.887 0.854 0.839 0.929 0.857 CB 1.424 15 residues pruned to eliminate duplicates Z: 15 20.712 1.812 0.799 0.843 1.000 0.714 CA 1.264 15 residues pruned to eliminate duplicates Z: 12 12.781 1.724 1.022 0.610 0.909 0.727 CB 1.096 12 residues pruned to eliminate duplicates Z: 26 15.976 1.820 0.592 0.546 0.880 0.760 CB 1.197 26 residues pruned to eliminate duplicates Z: 14 24.837 1.868 0.988 0.934 1.000 0.846 CB 1.294 14 residues pruned to eliminate duplicates Z: 14 18.677 1.828 0.972 0.900 0.923 0.692 CB 1.112 14 residues pruned to eliminate duplicates Z: 21 15.503 1.818 0.789 0.548 0.950 0.600 CB 1.071 21 residues pruned to eliminate duplicates Z: 25 21.560 1.832 0.870 0.641 0.917 0.542 CB 1.228 25 residues pruned to eliminate duplicates Z: 27 17.809 1.795 0.693 0.576 0.923 0.577 CB 1.157 27 residues pruned to eliminate duplicates Z: 25 18.876 1.825 0.750 0.633 0.917 0.625 CB 1.162 25 residues pruned to eliminate duplicates Z: 16 8.765 1.785 0.425 0.371 0.867 0.733 CA 1.179 16 residues pruned to eliminate duplicates Z: 53 24.931 1.821 0.611 0.567 0.846 0.635 CB 1.306 53 residues pruned to eliminate duplicates Z: 10 8.676 1.860 0.320 0.460 0.889 0.778 CA 1.381 10 residues pruned to eliminate duplicates Z: 27 20.270 1.831 0.643 0.545 0.962 0.692 CB 1.315 27 residues pruned to eliminate duplicates Z: 11 6.875 1.783 0.436 0.453 0.900 0.800 CB 0.990 11 residues pruned to eliminate duplicates Z: 9 10.436 1.916 0.529 0.590 0.875 0.625 CA 1.321 9 residues pruned to eliminate duplicates Z: 31 26.703 2.020 0.628 0.632 0.933 0.667 CB 1.403 31 residues pruned to eliminate duplicates Z: 39 23.415 1.895 0.491 0.618 0.868 0.474 CB 1.384 39 residues pruned to eliminate duplicates Z: 17 10.325 1.778 0.349 0.463 0.875 0.500 CB 1.277 17 residues pruned to eliminate duplicates Z: 32 30.525 2.033 0.721 0.639 0.935 0.742 CA 1.470 32 residues pruned to eliminate duplicates Z: 34 26.192 1.938 0.618 0.612 0.939 0.667 CA 1.393 34 residues pruned to eliminate duplicates Z: 37 23.801 1.902 0.535 0.556 0.917 0.639 CA 1.404 37 residues pruned to eliminate duplicates Z: 39 26.049 1.959 0.525 0.579 0.947 0.658 CB 1.383 39 residues pruned to eliminate duplicates Z: 34 24.862 1.982 0.561 0.610 0.909 0.697 CB 1.386 34 residues pruned to eliminate duplicates Z: 40 27.056 1.894 0.740 0.550 0.897 0.692 CB 1.395 40 residues pruned to eliminate duplicates Z: 29 28.030 2.056 0.557 0.709 0.964 0.714 CA 1.419 29 residues pruned to eliminate duplicates Z: 28 26.576 2.012 0.669 0.669 0.926 0.741 CA 1.408 35 residues pruned to eliminate duplicates Z: 37 23.787 1.968 0.582 0.592 0.889 0.667 CB 1.313 37 residues pruned to eliminate duplicates Z: 35 25.362 1.978 0.493 0.611 0.941 0.559 CB 1.409 35 residues pruned to eliminate duplicates Z: 44 28.293 1.928 0.659 0.551 0.907 0.558 CB 1.416 44 residues pruned to eliminate duplicates Z: 34 27.715 1.940 0.623 0.614 1.000 0.727 CA 1.375 34 residues pruned to eliminate duplicates Z: 33 29.071 1.970 0.755 0.615 0.906 0.656 CA 1.471 33 residues pruned to eliminate duplicates Z: 47 32.534 1.933 0.812 0.644 0.935 0.652 CB 1.280 47 residues pruned to eliminate duplicates Z: 35 27.158 1.930 0.728 0.628 0.941 0.735 CB 1.315 35 residues pruned to eliminate duplicates Z: 48 32.874 1.940 0.758 0.651 0.936 0.617 CB 1.304 48 residues pruned to eliminate duplicates Z: 36 25.808 1.970 0.677 0.580 0.914 0.543 CB 1.338 36 residues pruned to eliminate duplicates Z: 60 30.823 1.869 0.689 0.584 0.949 0.746 CB 1.235 60 residues pruned to eliminate duplicates Z: 45 26.252 1.941 0.502 0.574 0.955 0.591 CB 1.325 45 residues pruned to eliminate duplicates Z: 43 25.350 1.958 0.541 0.575 0.881 0.619 CB 1.368 43 residues pruned to eliminate duplicates Z: 61 34.157 2.000 0.623 0.587 0.933 0.700 CB 1.339 61 residues pruned to eliminate duplicates Z: 43 27.502 1.944 0.632 0.594 0.952 0.714 CB 1.284 43 residues pruned to eliminate duplicates Z: 59 29.084 1.909 0.570 0.608 0.914 0.552 CB 1.258 59 residues pruned to eliminate duplicates Z: 39 25.783 1.985 0.539 0.593 0.921 0.684 CB 1.361 39 residues pruned to eliminate duplicates Z: 77 31.535 1.969 0.557 0.494 0.921 0.553 CB 1.288 77 residues pruned to eliminate duplicates Z: 44 27.804 1.963 0.617 0.578 0.930 0.535 CB 1.332 44 residues pruned to eliminate duplicates Z: 61 35.536 1.902 0.744 0.602 0.917 0.567 CB 1.369 61 residues pruned to eliminate duplicates Z: 75 38.019 1.955 0.743 0.562 0.905 0.649 CB 1.349 75 residues pruned to eliminate duplicates Z: 35 21.350 1.945 0.584 0.545 0.882 0.588 CB 1.289 35 residues pruned to eliminate duplicates Z: 46 27.093 1.938 0.606 0.568 0.911 0.600 CB 1.334 46 residues pruned to eliminate duplicates Z: 53 25.561 1.932 0.582 0.485 0.885 0.558 CB 1.331 53 residues pruned to eliminate duplicates Z: 44 24.607 1.944 0.455 0.548 0.953 0.558 CB 1.327 44 residues pruned to eliminate duplicates Z: 19 12.385 1.999 0.637 0.536 0.778 0.556 CB 1.108 19 residues pruned to eliminate duplicates Z: 31 13.401 1.964 0.266 0.353 0.867 0.567 CB 1.331 31 residues pruned to eliminate duplicates Z: 18 11.772 1.991 0.564 0.438 0.824 0.529 CB 1.186 18 residues pruned to eliminate duplicates Z: 63 30.281 1.934 0.635 0.534 0.919 0.500 CB 1.280 63 residues pruned to eliminate duplicates Z: 17 16.299 2.054 0.696 0.537 0.938 0.438 CB 1.203 17 residues pruned to eliminate duplicates Z: 30 20.180 1.989 0.622 0.508 0.966 0.621 CB 1.194 30 residues pruned to eliminate duplicates Z: 55 30.177 1.986 0.680 0.574 0.889 0.537 CB 1.290 55 residues pruned to eliminate duplicates Z: 19 18.919 2.001 0.891 0.582 0.944 0.278 CB 1.154 19 residues pruned to eliminate duplicates Z: 81 34.372 1.940 0.673 0.528 0.887 0.512 CB 1.298 81 residues pruned to eliminate duplicates Z: 24 13.744 1.948 0.544 0.412 0.826 0.435 CB 1.265 24 residues pruned to eliminate duplicates Z: 20 14.864 1.978 0.656 0.553 0.842 0.684 CB 1.174 20 residues pruned to eliminate duplicates Z: 22 14.911 2.047 0.666 0.427 0.810 0.619 CB 1.270 22 residues pruned to eliminate duplicates Z: 14 15.630 2.085 0.745 0.570 0.769 0.692 CB 1.447 14 residues pruned to eliminate duplicates Z: 52 28.375 2.017 0.568 0.544 0.882 0.569 CB 1.365 52 residues pruned to eliminate duplicates Z: 67 28.150 1.968 0.572 0.486 0.848 0.561 CB 1.339 67 residues pruned to eliminate duplicates Z: 62 28.089 1.941 0.645 0.517 0.836 0.475 CB 1.324 62 residues pruned to eliminate duplicates Z: 31 14.107 1.909 0.423 0.342 0.900 0.433 CB 1.251 31 residues pruned to eliminate duplicates Z: 35 13.577 1.937 0.417 0.278 0.824 0.353 CB 1.324 35 residues pruned to eliminate duplicates Z: 34 16.581 1.982 0.356 0.337 0.909 0.515 CB 1.411 34 residues pruned to eliminate duplicates Z: 76 34.679 1.998 0.543 0.471 0.947 0.640 CB 1.412 77 residues pruned to eliminate duplicates Z: 6 3.983 1.647 0.760 0.449 1.000 1.000 CA 0.648 6 residues pruned to eliminate duplicates Z: 35 18.695 1.912 0.627 0.392 0.912 0.559 CB 1.267 35 residues pruned to eliminate duplicates Z: 21 9.049 1.798 0.425 0.273 0.950 0.550 CB 1.076 21 residues pruned to eliminate duplicates Z: 20 11.758 1.791 0.514 0.262 0.947 0.421 CB 1.377 20 residues pruned to eliminate duplicates Z: 80 29.234 1.949 0.569 0.473 0.873 0.595 CB 1.265 80 residues pruned to eliminate duplicates Z: 11 11.735 2.007 0.446 0.514 0.900 0.800 CB 1.402 11 residues pruned to eliminate duplicates Z: 18 8.878 1.753 0.436 0.339 0.824 0.529 CB 1.238 19 residues pruned to eliminate duplicates 6 1.908 1.534 0.545 0.121 0.600 0.400 CB 0.967 ? Z: 6 4.685 1.622 0.165 0.493 1.000 0.800 CB 1.116 Z: 15 7.184 1.590 0.493 0.643 0.857 0.143 CB 0.826 15 residues pruned to eliminate duplicates Z: 15 9.492 1.605 0.501 0.373 1.000 0.429 CA 1.206 15 residues pruned to eliminate duplicates Z: 19 9.233 1.537 0.492 0.331 0.889 0.444 CB 1.285 19 residues pruned to eliminate duplicates Z: 21 7.852 1.587 0.365 0.360 0.800 0.600 CB 1.179 21 residues pruned to eliminate duplicates Z: 22 8.657 1.520 0.429 0.359 0.810 0.381 CB 1.251 11 residues pruned to eliminate duplicates Z: 10 11.058 1.654 0.461 0.636 1.000 0.667 CB 1.342 11 residues pruned to eliminate duplicates Z: 6 5.652 1.792 0.205 0.658 1.000 0.800 CB 1.011 6 residues pruned to eliminate duplicates Z: 14 6.778 1.747 0.206 0.368 0.846 0.615 CB 1.215 14 residues pruned to eliminate duplicates Z: 20 8.062 1.667 0.404 0.312 0.895 0.474 CB 1.087 20 residues pruned to eliminate duplicates Z: 18 7.307 1.692 0.365 0.303 0.824 0.471 CB 1.159 18 residues pruned to eliminate duplicates Z: 49 14.886 1.673 0.388 0.397 0.938 0.500 CB 1.100 50 residues pruned to eliminate duplicates Z: 8 7.238 1.665 0.417 0.507 1.000 0.429 CB 1.151 8 residues pruned to eliminate duplicates Z: 30 10.146 1.648 0.322 0.359 1.000 0.517 CB 1.006 30 residues pruned to eliminate duplicates Z: 22 8.934 1.753 0.336 0.341 0.952 0.524 CB 1.039 22 residues pruned to eliminate duplicates Z: 35 12.326 1.727 0.336 0.372 0.941 0.529 CB 1.116 35 residues pruned to eliminate duplicates Z: 32 9.466 1.662 0.320 0.277 0.903 0.452 CB 1.104 32 residues pruned to eliminate duplicates Z: 32 11.644 1.760 0.306 0.361 0.968 0.484 CB 1.092 32 residues pruned to eliminate duplicates Z: 28 10.503 1.675 0.297 0.418 0.963 0.630 CB 1.052 27 residues pruned to eliminate duplicates Z: 10 8.538 1.722 0.050 0.749 1.000 0.889 CB 1.261 10 residues pruned to eliminate duplicates Z: 25 13.243 1.743 0.350 0.454 1.000 0.583 CB 1.204 25 residues pruned to eliminate duplicates Z: 20 10.896 1.618 0.354 0.472 0.895 0.421 N 1.312 20 residues pruned to eliminate duplicates Z: 39 12.399 1.708 0.319 0.381 1.000 0.553 CB 1.013 39 residues pruned to eliminate duplicates Z: 9 9.855 1.703 0.207 0.785 1.000 0.750 CA 1.320 9 residues pruned to eliminate duplicates Z: 26 11.815 1.705 0.395 0.451 0.920 0.520 CB 1.135 28 residues pruned to eliminate duplicates Z: 9 10.067 1.715 0.208 0.751 1.000 0.625 CA 1.374 9 residues pruned to eliminate duplicates Z: 28 9.976 1.680 0.287 0.401 0.926 0.556 CB 1.064 26 residues pruned to eliminate duplicates Z: 10 8.129 1.663 0.373 0.571 0.778 0.444 N 1.425 10 residues pruned to eliminate duplicates Z: 18 9.632 1.729 0.317 0.467 0.941 0.471 CB 1.126 18 residues pruned to eliminate duplicates Z: 31 10.252 1.713 0.229 0.358 0.867 0.567 CB 1.196 42 residues pruned to eliminate duplicates Z: 7 4.632 1.612 0.296 0.468 0.833 0.500 CA 1.122 7 residues pruned to eliminate duplicates Z: 35 18.802 1.908 0.473 0.393 0.941 0.618 CB 1.365 35 residues pruned to eliminate duplicates Z: 37 18.102 1.941 0.443 0.326 0.917 0.528 CA 1.422 37 residues pruned to eliminate duplicates Z: 49 26.961 1.952 0.491 0.494 0.917 0.646 CA 1.468 49 residues pruned to eliminate duplicates Z: 30 15.608 1.861 0.427 0.437 0.862 0.655 CA 1.351 30 residues pruned to eliminate duplicates Z: 33 18.149 1.980 0.473 0.374 0.875 0.500 CB 1.438 33 residues pruned to eliminate duplicates Z: 37 13.002 1.923 0.227 0.342 0.833 0.556 CB 1.309 37 residues pruned to eliminate duplicates Z: 34 16.291 1.911 0.408 0.386 0.848 0.515 CB 1.402 34 residues pruned to eliminate duplicates Z: 41 20.369 1.915 0.344 0.448 0.925 0.525 CA 1.426 41 residues pruned to eliminate duplicates Z: 51 25.188 1.945 0.499 0.447 0.920 0.620 CA 1.402 51 residues pruned to eliminate duplicates Z: 31 13.072 1.918 0.328 0.251 0.867 0.433 CB 1.439 31 residues pruned to eliminate duplicates Z: 29 14.633 1.891 0.274 0.457 0.893 0.500 CB 1.343 29 residues pruned to eliminate duplicates Z: 48 23.288 1.939 0.383 0.450 0.936 0.617 CA 1.425 48 residues pruned to eliminate duplicates Z: 37 15.682 1.951 0.486 0.294 0.778 0.333 CB 1.460 37 residues pruned to eliminate duplicates Z: 34 15.968 1.932 0.409 0.306 0.879 0.455 CB 1.441 34 residues pruned to eliminate duplicates Z: 21 17.236 1.951 0.420 0.501 1.000 0.600 CA 1.389 21 residues pruned to eliminate duplicates Z: 41 23.902 1.998 0.487 0.490 0.875 0.625 CA 1.469 41 residues pruned to eliminate duplicates Z: 29 16.080 2.000 0.411 0.349 0.857 0.643 CB 1.480 29 residues pruned to eliminate duplicates Z: 26 17.143 1.934 0.436 0.394 0.920 0.480 CB 1.502 26 residues pruned to eliminate duplicates Z: 34 16.758 1.941 0.510 0.335 0.818 0.485 CB 1.457 34 residues pruned to eliminate duplicates Z: 47 24.398 1.967 0.432 0.462 0.891 0.674 CA 1.489 48 residues pruned to eliminate duplicates Z: 6 4.166 1.509 0.402 0.429 1.000 0.600 CA 0.948 6 residues pruned to eliminate duplicates Z: 23 17.847 1.929 0.460 0.545 0.909 0.591 CB 1.422 23 residues pruned to eliminate duplicates Z: 32 18.356 1.937 0.585 0.406 0.839 0.548 CB 1.414 32 residues pruned to eliminate duplicates Z: 30 17.021 1.995 0.510 0.386 0.862 0.552 CA 1.374 30 residues pruned to eliminate duplicates Z: 33 11.437 1.882 0.439 0.293 0.750 0.375 CB 1.255 33 residues pruned to eliminate duplicates Z: 38 18.253 1.927 0.415 0.408 0.838 0.514 CA 1.446 38 residues pruned to eliminate duplicates Z: 31 15.867 1.960 0.574 0.326 0.900 0.500 CB 1.263 31 residues pruned to eliminate duplicates Z: 43 21.180 1.955 0.445 0.408 0.905 0.548 CB 1.408 43 residues pruned to eliminate duplicates Z: 42 15.093 1.839 0.395 0.389 0.805 0.439 CB 1.284 42 residues pruned to eliminate duplicates Z: 39 23.701 1.959 0.579 0.496 0.895 0.658 CA 1.395 39 residues pruned to eliminate duplicates Z: 49 25.362 1.940 0.586 0.500 0.875 0.625 CB 1.359 49 residues pruned to eliminate duplicates Z: 34 31.992 1.967 0.910 0.685 0.939 0.697 CB 1.331 34 residues pruned to eliminate duplicates Z: 10 21.106 1.856 1.063 0.880 1.000 0.778 N 1.331 10 residues pruned to eliminate duplicates Z: 41 26.534 1.992 0.694 0.558 0.850 0.600 CB 1.382 41 residues pruned to eliminate duplicates Z: 16 23.543 1.712 1.170 0.757 0.933 0.867 C 1.395 16 residues pruned to eliminate duplicates Z: 16 29.938 1.953 1.056 0.842 0.933 0.600 CB 1.537 16 residues pruned to eliminate duplicates Z: 12 20.268 1.795 0.999 0.737 0.909 0.727 CA 1.514 12 residues pruned to eliminate duplicates Z: 18 27.688 1.822 1.255 0.835 0.882 0.529 CB 1.388 18 residues pruned to eliminate duplicates Z: 20 19.999 1.812 1.050 0.733 0.789 0.421 CB 1.269 20 residues pruned to eliminate duplicates Z: 16 36.773 1.937 1.331 0.923 1.000 0.467 CB 1.478 16 residues pruned to eliminate duplicates Z: 19 26.195 1.838 1.110 0.707 0.944 0.500 CB 1.396 19 residues pruned to eliminate duplicates Z: 33 27.227 1.934 0.813 0.629 0.875 0.688 CB 1.390 33 residues pruned to eliminate duplicates Z: 30 33.884 2.022 0.801 0.673 0.966 0.724 CB 1.526 30 residues pruned to eliminate duplicates Z: 34 28.721 1.931 0.832 0.670 0.909 0.636 CB 1.329 34 residues pruned to eliminate duplicates Z: 16 20.004 2.073 0.632 0.606 1.000 0.800 CB 1.380 16 residues pruned to eliminate duplicates Z: 34 28.847 1.995 0.789 0.625 0.879 0.697 CB 1.424 34 residues pruned to eliminate duplicates Z: 18 19.210 2.014 0.581 0.613 0.941 0.706 CA 1.396 18 residues pruned to eliminate duplicates Z: 6 3.877 1.582 0.297 0.379 1.000 1.000 CA 0.962 6 residues pruned to eliminate duplicates Z: 54 31.362 1.969 0.696 0.532 0.868 0.623 CB 1.439 54 residues pruned to eliminate duplicates Z: 30 30.263 1.951 0.805 0.653 0.966 0.552 CB 1.433 30 residues pruned to eliminate duplicates Z: 11 6.601 1.480 0.875 0.526 0.800 0.300 CA 0.917 11 residues pruned to eliminate duplicates Z: 18 18.675 2.003 0.791 0.573 0.941 0.706 CB 1.251 18 residues pruned to eliminate duplicates Z: 9 11.277 1.965 0.489 0.800 1.000 1.000 CB 1.048 9 residues pruned to eliminate duplicates Z: 9 13.272 1.806 0.755 0.858 1.000 0.875 CB 1.090 9 residues pruned to eliminate duplicates Z: 17 19.626 2.026 0.589 0.633 1.000 0.750 CB 1.344 17 residues pruned to eliminate duplicates Z: 19 16.999 1.957 0.660 0.512 0.889 0.611 CB 1.371 19 residues pruned to eliminate duplicates Z: 18 17.681 2.002 0.604 0.622 0.941 0.706 CB 1.265 18 residues pruned to eliminate duplicates Z: 19 17.229 2.004 0.608 0.579 0.889 0.667 CB 1.314 19 residues pruned to eliminate duplicates Z: 17 15.165 2.062 0.559 0.527 0.875 0.688 CB 1.313 17 residues pruned to eliminate duplicates Z: 19 15.009 1.934 0.536 0.549 0.889 0.611 CB 1.277 19 residues pruned to eliminate duplicates Z: 28 19.043 1.844 0.602 0.599 0.889 0.704 CB 1.270 20 residues pruned to eliminate duplicates Z: 8 10.413 1.693 0.798 0.550 1.000 0.571 CB 1.232 11 residues pruned to eliminate duplicates Z: 23 19.999 1.816 0.473 0.757 1.000 0.636 CA 1.269 23 residues pruned to eliminate duplicates Z: 22 13.295 1.835 0.465 0.499 0.857 0.571 CB 1.261 22 residues pruned to eliminate duplicates Z: 23 13.683 1.795 0.462 0.512 0.864 0.727 CB 1.272 23 residues pruned to eliminate duplicates Z: 34 22.225 1.843 0.546 0.591 0.970 0.727 CB 1.284 34 residues pruned to eliminate duplicates Z: 16 19.368 1.981 0.410 0.848 1.000 0.933 CB 1.328 16 residues pruned to eliminate duplicates Z: 23 20.284 1.875 0.719 0.663 0.909 0.727 CB 1.269 23 residues pruned to eliminate duplicates Z: 34 17.729 1.851 0.424 0.577 0.970 0.636 CB 1.121 34 residues pruned to eliminate duplicates Z: 26 20.322 1.854 0.660 0.605 1.000 0.520 CB 1.195 26 residues pruned to eliminate duplicates Z: 28 18.737 1.773 0.582 0.578 0.963 0.556 CB 1.238 28 residues pruned to eliminate duplicates Z: 33 15.581 1.851 0.436 0.500 0.812 0.531 CB 1.276 33 residues pruned to eliminate duplicates Z: 21 21.157 1.966 0.676 0.656 0.950 0.700 CB 1.308 21 residues pruned to eliminate duplicates Z: 21 20.459 1.920 0.598 0.719 1.000 0.750 CA 1.224 21 residues pruned to eliminate duplicates Z: 24 18.368 1.905 0.494 0.629 0.957 0.609 CB 1.246 24 residues pruned to eliminate duplicates Z: 29 16.451 1.806 0.505 0.575 0.929 0.679 CB 1.146 29 residues pruned to eliminate duplicates Z: 31 17.159 1.803 0.500 0.563 0.933 0.633 CB 1.168 31 residues pruned to eliminate duplicates Z: 18 13.993 1.865 0.354 0.682 0.882 0.706 CB 1.289 18 residues pruned to eliminate duplicates Z: 34 22.323 1.864 0.659 0.588 0.939 0.697 CB 1.230 34 residues pruned to eliminate duplicates Z: 42 21.199 1.822 0.618 0.489 0.927 0.659 CB 1.225 37 residues pruned to eliminate duplicates Z: 7 2.620 1.340 0.485 0.306 0.667 0.333 CA 1.000 Z: 6 4.040 1.503 0.282 0.443 1.000 0.600 CA 0.994 Z: 15 18.712 1.838 0.447 0.917 1.000 0.929 CA 1.328 15 residues pruned to eliminate duplicates Z: 25 23.255 1.912 0.650 0.715 0.875 0.708 CA 1.416 25 residues pruned to eliminate duplicates Z: 15 21.859 1.949 0.609 0.784 0.929 0.786 CA 1.563 15 residues pruned to eliminate duplicates Z: 16 20.143 1.926 0.590 0.811 0.933 0.800 CA 1.388 16 residues pruned to eliminate duplicates Z: 17 27.146 1.918 0.653 0.921 1.000 0.938 CA 1.507 17 residues pruned to eliminate duplicates Z: 15 26.595 1.976 0.755 0.839 1.000 0.786 CA 1.531 15 residues pruned to eliminate duplicates Z: 17 21.135 1.787 0.891 0.703 0.875 0.625 CB 1.486 17 residues pruned to eliminate duplicates Z: 18 24.360 1.857 0.934 0.792 0.824 0.647 N 1.546 18 residues pruned to eliminate duplicates Z: 16 24.733 1.913 0.905 0.718 0.867 0.600 N 1.660 16 residues pruned to eliminate duplicates Z: 14 26.121 1.901 0.887 0.829 1.000 0.538 CB 1.519 14 residues pruned to eliminate duplicates Z: 27 23.770 1.870 0.652 0.634 0.885 0.654 N 1.504 27 residues pruned to eliminate duplicates Z: 24 20.145 1.794 0.790 0.655 0.826 0.391 N 1.370 24 residues pruned to eliminate duplicates Z: 24 14.081 1.810 0.436 0.480 0.826 0.478 N 1.396 24 residues pruned to eliminate duplicates Z: 36 14.638 1.735 0.301 0.516 0.829 0.429 N 1.302 36 residues pruned to eliminate duplicates Z: 23 13.063 1.795 0.530 0.515 0.727 0.545 N 1.374 23 residues pruned to eliminate duplicates Z: 41 26.151 1.849 0.610 0.615 0.850 0.550 CB 1.465 41 residues pruned to eliminate duplicates Z: 31 17.105 1.873 0.292 0.509 0.867 0.700 CA 1.476 31 residues pruned to eliminate duplicates Z: 24 15.427 1.785 0.637 0.519 0.783 0.435 N 1.380 24 residues pruned to eliminate duplicates Z: 14 13.145 1.891 0.338 0.591 0.923 0.769 CB 1.430 14 residues pruned to eliminate duplicates Z: 31 22.077 1.818 0.622 0.626 0.867 0.667 CB 1.400 31 residues pruned to eliminate duplicates Z: 36 18.322 1.845 0.390 0.484 0.857 0.543 CB 1.431 36 residues pruned to eliminate duplicates Z: 26 20.161 1.912 0.319 0.644 0.960 0.840 CB 1.457 26 residues pruned to eliminate duplicates Z: 30 19.744 1.798 0.452 0.590 0.931 0.724 CB 1.384 30 residues pruned to eliminate duplicates Z: 44 32.507 1.893 0.747 0.652 0.884 0.674 CB 1.473 44 residues pruned to eliminate duplicates Z: 28 21.761 1.883 0.553 0.625 0.926 0.630 CB 1.374 28 residues pruned to eliminate duplicates Z: 23 15.865 1.861 0.740 0.527 0.818 0.500 CB 1.243 23 residues pruned to eliminate duplicates Z: 31 14.115 1.747 0.581 0.427 0.900 0.533 CB 1.118 31 residues pruned to eliminate duplicates Z: 19 21.932 1.961 0.695 0.687 0.944 0.778 CB 1.387 19 residues pruned to eliminate duplicates Z: 25 15.746 1.793 0.566 0.489 0.833 0.625 CB 1.389 25 residues pruned to eliminate duplicates Z: 20 18.643 1.940 0.519 0.642 0.947 0.842 CB 1.341 20 residues pruned to eliminate duplicates Z: 24 16.354 1.881 0.512 0.562 0.870 0.696 CB 1.298 24 residues pruned to eliminate duplicates Z: 24 16.286 1.877 0.283 0.540 0.913 0.652 CB 1.485 24 residues pruned to eliminate duplicates Z: 26 17.357 1.861 0.493 0.531 0.920 0.720 CB 1.317 26 residues pruned to eliminate duplicates Z: 23 16.057 1.876 0.477 0.534 0.864 0.636 CB 1.383 23 residues pruned to eliminate duplicates Z: 21 19.614 1.953 0.540 0.648 0.900 0.800 CB 1.411 21 residues pruned to eliminate duplicates Z: 21 21.686 1.928 0.637 0.645 0.950 0.750 CB 1.412 21 residues pruned to eliminate duplicates Z: 21 21.607 1.949 0.607 0.621 0.950 0.700 CB 1.449 21 residues pruned to eliminate duplicates Z: 23 18.331 1.911 0.752 0.564 0.818 0.636 CB 1.341 23 residues pruned to eliminate duplicates Z: 23 18.204 1.843 0.640 0.548 0.909 0.545 CB 1.349 23 residues pruned to eliminate duplicates Z: 19 20.653 1.965 0.772 0.694 0.889 0.667 CB 1.318 19 residues pruned to eliminate duplicates Z: 19 20.264 1.937 0.812 0.647 0.889 0.722 CB 1.335 19 residues pruned to eliminate duplicates Z: 20 20.736 1.939 0.720 0.612 0.895 0.684 CB 1.433 20 residues pruned to eliminate duplicates Z: 25 15.792 1.827 0.497 0.493 0.875 0.625 CB 1.357 25 residues pruned to eliminate duplicates Z: 42 19.987 1.870 0.598 0.439 0.902 0.537 CB 1.232 42 residues pruned to eliminate duplicates Z: 65 30.439 1.862 0.679 0.527 0.906 0.578 CB 1.308 65 residues pruned to eliminate duplicates Z: 21 12.537 1.896 0.472 0.363 0.850 0.600 CB 1.369 21 residues pruned to eliminate duplicates Z: 37 23.958 1.898 0.529 0.571 0.944 0.694 CB 1.361 37 residues pruned to eliminate duplicates Z: 32 21.155 1.886 0.626 0.536 0.903 0.613 CB 1.325 32 residues pruned to eliminate duplicates Z: 26 11.470 1.768 0.369 0.345 0.880 0.480 CB 1.274 26 residues pruned to eliminate duplicates Z: 20 12.557 1.881 0.439 0.440 0.842 0.526 CB 1.344 20 residues pruned to eliminate duplicates Z: 20 12.436 1.984 0.576 0.308 0.895 0.421 CB 1.262 20 residues pruned to eliminate duplicates Z: 43 21.889 1.886 0.427 0.497 0.881 0.619 CB 1.429 43 residues pruned to eliminate duplicates Z: 68 35.019 1.872 0.648 0.539 0.925 0.478 CB 1.442 68 residues pruned to eliminate duplicates Z: 34 20.441 1.837 0.600 0.548 0.909 0.636 CB 1.272 34 residues pruned to eliminate duplicates Z: 18 14.369 1.953 0.570 0.432 0.882 0.529 CB 1.383 18 residues pruned to eliminate duplicates Z: 23 12.391 1.873 0.415 0.402 0.864 0.682 CB 1.278 23 residues pruned to eliminate duplicates Z: 43 21.738 1.879 0.502 0.465 0.905 0.571 CB 1.361 43 residues pruned to eliminate duplicates Z: 18 14.020 1.957 0.498 0.488 0.882 0.471 CB 1.331 18 residues pruned to eliminate duplicates Z: 19 12.426 1.996 0.447 0.418 0.889 0.556 CB 1.243 19 residues pruned to eliminate duplicates Z: 37 15.904 1.806 0.414 0.386 0.917 0.528 CB 1.277 37 residues pruned to eliminate duplicates Z: 11 7.134 1.960 0.455 0.289 0.800 0.500 CB 1.254 11 residues pruned to eliminate duplicates Z: 65 30.922 1.873 0.499 0.561 0.875 0.641 CB 1.483 65 residues pruned to eliminate duplicates Z: 25 11.042 1.808 0.353 0.350 0.833 0.500 CB 1.301 25 residues pruned to eliminate duplicates Z: 43 16.878 1.853 0.397 0.368 0.857 0.571 CB 1.351 43 residues pruned to eliminate duplicates Z: 43 16.782 1.879 0.485 0.309 0.881 0.595 CB 1.302 43 residues pruned to eliminate duplicates Z: 15 11.801 1.789 0.693 0.394 0.857 0.571 CB 1.359 15 residues pruned to eliminate duplicates Z: 35 17.407 1.877 0.444 0.391 0.912 0.588 CB 1.355 35 residues pruned to eliminate duplicates Z: 13 11.316 1.834 0.464 0.431 1.000 0.667 CB 1.306 13 residues pruned to eliminate duplicates Z: 25 14.104 1.888 0.551 0.392 0.917 0.500 CB 1.203 25 residues pruned to eliminate duplicates Z: 12 9.068 1.883 0.375 0.367 0.818 0.727 CA 1.490 12 residues pruned to eliminate duplicates Z: 21 11.687 1.806 0.520 0.312 0.850 0.600 CB 1.379 21 residues pruned to eliminate duplicates Z: 34 15.517 1.883 0.452 0.367 0.879 0.636 CB 1.297 34 residues pruned to eliminate duplicates Z: 16 11.696 1.797 0.490 0.476 0.933 0.733 CB 1.238 16 residues pruned to eliminate duplicates Z: 93 30.251 1.898 0.456 0.484 0.880 0.543 CB 1.317 93 residues pruned to eliminate duplicates Z: 18 8.759 1.779 0.440 0.325 0.882 0.647 CB 1.140 18 residues pruned to eliminate duplicates Z: 10 5.102 1.742 0.242 0.289 0.778 0.778 CA 1.282 10 residues pruned to eliminate duplicates Z: 29 12.627 1.729 0.448 0.319 0.821 0.571 CB 1.417 29 residues pruned to eliminate duplicates Z: 36 18.674 1.909 0.563 0.379 0.857 0.657 CB 1.404 36 residues pruned to eliminate duplicates Z: 39 20.685 1.925 0.635 0.463 0.842 0.553 CB 1.314 37 residues pruned to eliminate duplicates Z: 8 2.559 1.466 0.533 0.260 0.714 0.286 CB 0.793 8 residues pruned to eliminate duplicates Z: 27 9.946 1.851 0.350 0.278 0.769 0.462 CB 1.304 27 residues pruned to eliminate duplicates Z: 40 13.168 1.816 0.483 0.313 0.821 0.436 CB 1.174 40 residues pruned to eliminate duplicates Z: 33 12.245 1.767 0.558 0.362 0.812 0.406 CB 1.123 33 residues pruned to eliminate duplicates Z: 28 12.261 1.827 0.461 0.348 0.852 0.444 CB 1.224 28 residues pruned to eliminate duplicates Z: 15 6.960 1.892 0.516 0.288 0.857 0.429 CB 0.961 15 residues pruned to eliminate duplicates Z: 23 6.828 1.790 0.444 0.245 0.727 0.182 CB 1.039 23 residues pruned to eliminate duplicates Z: 26 15.226 1.911 0.386 0.399 0.920 0.520 CB 1.389 26 residues pruned to eliminate duplicates Z: 30 12.948 1.808 0.408 0.388 0.828 0.517 CB 1.286 30 residues pruned to eliminate duplicates Z: 37 17.480 1.957 0.441 0.508 0.833 0.639 CB 1.229 37 residues pruned to eliminate duplicates Z: 42 16.810 1.935 0.399 0.429 0.854 0.537 CB 1.222 45 residues pruned to eliminate duplicates Z: 18 12.268 1.771 0.380 0.608 0.941 0.647 CB 1.168 18 residues pruned to eliminate duplicates Z: 47 18.427 1.856 0.472 0.384 0.891 0.478 CB 1.263 47 residues pruned to eliminate duplicates Z: 22 11.583 1.919 0.303 0.396 0.952 0.619 CB 1.184 22 residues pruned to eliminate duplicates Z: 20 14.869 1.939 0.415 0.675 0.895 0.526 CB 1.183 20 residues pruned to eliminate duplicates Z: 17 8.858 1.767 0.474 0.442 0.688 0.438 CB 1.312 17 residues pruned to eliminate duplicates Z: 44 20.149 1.865 0.671 0.421 0.837 0.395 CB 1.278 44 residues pruned to eliminate duplicates Z: 42 20.871 1.945 0.650 0.500 0.829 0.585 CB 1.225 42 residues pruned to eliminate duplicates Z: 26 10.447 1.662 0.586 0.363 0.840 0.400 CB 1.093 26 residues pruned to eliminate duplicates Z: 13 16.958 1.990 0.890 0.738 0.833 0.500 CB 1.262 13 residues pruned to eliminate duplicates Z: 14 13.948 1.945 0.642 0.719 0.769 0.538 CB 1.291 14 residues pruned to eliminate duplicates Z: 51 20.070 1.880 0.626 0.439 0.880 0.500 CB 1.124 51 residues pruned to eliminate duplicates Z: 17 14.540 1.912 0.840 0.601 0.875 0.375 CB 1.072 17 residues pruned to eliminate duplicates Z: 16 18.243 1.919 0.735 0.644 0.933 0.400 CB 1.326 16 residues pruned to eliminate duplicates Z: 16 17.042 1.927 0.685 0.653 0.867 0.733 CB 1.356 16 residues pruned to eliminate duplicates Z: 14 14.823 1.962 0.739 0.698 0.769 0.462 CB 1.307 14 residues pruned to eliminate duplicates Z: 16 17.009 1.955 0.823 0.720 0.867 0.533 CB 1.166 16 residues pruned to eliminate duplicates Z: 34 15.317 1.869 0.484 0.486 0.818 0.515 CB 1.191 34 residues pruned to eliminate duplicates Z: 21 11.455 1.899 0.384 0.475 0.800 0.450 CB 1.250 21 residues pruned to eliminate duplicates Z: 18 8.589 1.822 0.397 0.444 0.824 0.529 CB 1.052 18 residues pruned to eliminate duplicates Z: 17 8.138 1.833 0.234 0.350 0.875 0.625 CB 1.210 17 residues pruned to eliminate duplicates Z: 17 9.286 1.877 0.309 0.451 0.875 0.688 CB 1.135 17 residues pruned to eliminate duplicates Z: 18 7.727 1.724 0.275 0.483 0.824 0.647 CB 1.053 18 residues pruned to eliminate duplicates Z: 26 10.945 1.811 0.253 0.475 0.880 0.560 CB 1.124 26 residues pruned to eliminate duplicates Z: 33 12.776 1.765 0.397 0.405 0.906 0.594 CB 1.117 33 residues pruned to eliminate duplicates Z: 17 9.012 1.846 0.306 0.356 0.875 0.625 CB 1.247 17 residues pruned to eliminate duplicates Z: 29 10.231 1.795 0.114 0.367 0.857 0.500 CB 1.302 29 residues pruned to eliminate duplicates Z: 28 16.493 1.785 0.292 0.643 0.963 0.667 CB 1.251 28 residues pruned to eliminate duplicates Z: 8 4.126 1.830 0.119 0.389 1.000 0.571 CB 0.857 8 residues pruned to eliminate duplicates Z: 10 4.000 1.676 0.398 0.413 1.000 0.556 CB 0.623 10 residues pruned to eliminate duplicates Z: 47 14.005 1.850 0.318 0.357 0.826 0.435 CB 1.197 47 residues pruned to eliminate duplicates Z: 12 7.100 1.868 0.272 0.514 0.818 0.455 CB 1.086 12 residues pruned to eliminate duplicates Z: 12 8.035 1.811 0.416 0.451 0.909 0.182 CB 1.092 12 residues pruned to eliminate duplicates Z: 10 5.737 1.705 0.290 0.309 0.889 0.444 CB 1.208 10 residues pruned to eliminate duplicates Z: 12 7.995 1.767 0.378 0.450 0.909 0.182 CA 1.146 12 residues pruned to eliminate duplicates Z: 10 8.900 1.800 0.386 0.580 1.000 0.778 CA 1.102 10 residues pruned to eliminate duplicates Z: 21 9.253 1.839 0.093 0.540 0.900 0.550 CB 1.099 21 residues pruned to eliminate duplicates Z: 14 8.396 1.747 0.429 0.441 0.846 0.385 CA 1.171 14 residues pruned to eliminate duplicates Z: 15 7.682 1.779 0.296 0.507 0.929 0.500 CA 0.953 15 residues pruned to eliminate duplicates Z: 36 16.497 1.823 0.362 0.526 0.914 0.600 CB 1.196 36 residues pruned to eliminate duplicates Z: 14 11.954 1.913 0.332 0.678 1.000 0.769 CA 1.104 14 residues pruned to eliminate duplicates Z: 26 23.312 1.818 0.779 0.664 0.920 0.560 CB 1.347 23 residues pruned to eliminate duplicates Z: 13 25.138 1.896 1.004 0.866 1.000 0.667 N 1.398 13 residues pruned to eliminate duplicates Z: 19 18.897 1.801 1.034 0.627 0.833 0.444 CB 1.295 19 residues pruned to eliminate duplicates Z: 16 20.268 1.751 1.172 0.774 0.867 0.533 CB 1.247 16 residues pruned to eliminate duplicates Z: 28 22.489 1.865 0.758 0.670 0.889 0.481 CB 1.269 30 residues pruned to eliminate duplicates Z: 15 27.779 1.910 1.013 0.887 1.000 0.500 CA 1.392 16 residues pruned to eliminate duplicates Z: 15 21.551 1.819 1.016 0.832 0.929 0.429 N 1.270 15 residues pruned to eliminate duplicates Z: 17 22.047 1.822 1.003 0.678 0.938 0.312 N 1.367 17 residues pruned to eliminate duplicates Z: 29 21.806 1.744 0.882 0.569 0.893 0.357 CB 1.315 29 residues pruned to eliminate duplicates Z: 27 22.350 1.821 0.748 0.647 0.885 0.231 CB 1.357 27 residues pruned to eliminate duplicates Z: 18 21.783 1.843 1.059 0.605 0.882 0.235 N 1.428 18 residues pruned to eliminate duplicates Z: 18 17.287 1.756 0.929 0.614 0.882 0.412 N 1.259 18 residues pruned to eliminate duplicates Z: 7 6.669 1.596 0.283 0.883 1.000 1.000 CB 0.961 7 residues pruned to eliminate duplicates Z: 8 7.535 1.561 0.413 0.885 1.000 0.857 CB 0.933 8 residues pruned to eliminate duplicates Z: 8 8.791 1.524 0.528 0.834 1.000 0.714 CB 1.070 8 residues pruned to eliminate duplicates Z: 8 7.977 1.576 0.283 0.882 1.000 0.857 CB 1.080 8 residues pruned to eliminate duplicates Z: 6 7.840 1.547 0.673 0.829 1.000 0.600 CB 1.020 6 residues pruned to eliminate duplicates Z: 8 7.848 1.551 0.845 0.835 0.857 0.571 CB 0.905 8 residues pruned to eliminate duplicates Z: 8 8.418 1.580 0.653 0.851 1.000 0.429 CB 0.901 8 residues pruned to eliminate duplicates Z: 12 11.258 1.668 0.744 0.709 1.000 0.545 CB 0.965 11 residues pruned to eliminate duplicates Z: 12 11.601 1.620 0.609 0.843 0.909 0.364 CB 1.100 11 residues pruned to eliminate duplicates Z: 10 13.735 1.661 0.613 0.760 1.000 0.667 CB 1.356 11 residues pruned to eliminate duplicates Z: 10 10.722 1.723 0.539 0.808 0.889 0.556 CB 1.159 10 residues pruned to eliminate duplicates Z: 12 13.232 1.743 0.413 0.760 1.000 0.636 CB 1.286 12 residues pruned to eliminate duplicates Z: 12 11.718 1.740 0.437 0.731 1.000 0.545 CB 1.148 12 residues pruned to eliminate duplicates Z: 10 6.973 1.769 0.234 0.509 0.889 0.333 CB 1.187 10 residues pruned to eliminate duplicates Z: 10 12.386 1.552 0.695 0.823 1.000 0.333 N 1.187 10 residues pruned to eliminate duplicates Z: 11 11.938 1.645 0.453 0.862 0.900 0.200 CB 1.288 11 residues pruned to eliminate duplicates Z: 6 5.498 1.858 0.186 0.614 0.800 0.200 CB 1.251 6 residues pruned to eliminate duplicates Z: 13 4.826 1.758 0.078 0.417 0.917 0.167 CB 0.874 9 residues pruned to eliminate duplicates Z: 11 15.157 1.779 0.415 0.886 1.000 0.800 CB 1.374 11 residues pruned to eliminate duplicates Z: 13 12.862 1.689 0.553 0.705 0.833 0.667 CA 1.410 13 residues pruned to eliminate duplicates Z: 13 13.440 1.665 0.711 0.654 0.917 0.667 CB 1.287 13 residues pruned to eliminate duplicates Z: 13 10.614 1.703 0.463 0.621 0.833 0.667 CB 1.317 13 residues pruned to eliminate duplicates Z: 12 13.677 1.695 0.671 0.721 0.818 0.818 CB 1.458 12 residues pruned to eliminate duplicates Z: 13 12.603 1.645 0.437 0.705 0.917 0.500 CA 1.393 13 residues pruned to eliminate duplicates Z: 12 13.278 1.711 0.775 0.711 0.818 0.818 CB 1.330 12 residues pruned to eliminate duplicates Z: 11 11.598 1.731 0.257 0.795 0.900 0.800 CB 1.447 11 residues pruned to eliminate duplicates Z: 13 10.480 1.643 0.536 0.722 0.750 0.667 CB 1.308 13 residues pruned to eliminate duplicates Z: 12 15.714 1.644 0.954 0.877 0.909 0.636 CB 1.178 12 residues pruned to eliminate duplicates Z: 31 17.079 1.907 0.566 0.536 0.933 0.667 CB 1.080 41 residues pruned to eliminate duplicates Z: 8 9.925 1.856 0.815 0.409 0.857 0.429 CA 1.430 8 residues pruned to eliminate duplicates Z: 11 5.855 1.990 0.315 0.259 0.900 0.700 CB 1.037 11 residues pruned to eliminate duplicates Z: 14 7.653 1.959 0.416 0.278 0.846 0.615 CB 1.162 14 residues pruned to eliminate duplicates Z: 29 18.950 2.002 0.608 0.613 0.857 0.679 CB 1.166 29 residues pruned to eliminate duplicates Z: 13 5.824 1.950 0.749 0.259 0.917 0.583 CB 0.708 13 residues pruned to eliminate duplicates Z: 10 5.390 2.017 0.618 0.187 0.889 0.333 CB 0.902 10 residues pruned to eliminate duplicates Z: 35 24.449 1.933 0.593 0.638 0.912 0.529 CB 1.312 71 residues pruned to eliminate duplicates Z: 19 21.234 1.995 0.596 0.729 0.944 0.667 CB 1.354 Z: 7 4.803 1.563 0.214 0.472 1.000 0.833 CA 1.063 7 residues pruned to eliminate duplicates Z: 17 24.225 2.050 0.593 0.841 0.938 0.875 CB 1.475 19 residues pruned to eliminate duplicates Z: 16 16.114 1.927 0.456 0.795 0.867 0.800 CA 1.321 16 residues pruned to eliminate duplicates Z: 18 22.747 2.004 0.610 0.793 1.000 0.765 CB 1.322 18 residues pruned to eliminate duplicates Z: 16 18.368 1.867 0.599 0.852 0.933 0.733 CA 1.259 16 residues pruned to eliminate duplicates Z: 28 22.311 1.989 0.812 0.605 1.000 0.667 CB 1.078 18 residues pruned to eliminate duplicates Z: 16 18.897 1.834 0.763 0.894 0.933 0.800 CB 1.160 13 residues pruned to eliminate duplicates Z: 14 19.235 1.965 0.709 0.861 0.923 0.846 CA 1.265 14 residues pruned to eliminate duplicates Z: 19 23.211 1.975 0.586 0.749 1.000 0.833 CA 1.398 19 residues pruned to eliminate duplicates Z: 17 20.384 1.934 0.618 0.872 1.000 0.812 CB 1.188 17 residues pruned to eliminate duplicates Z: 18 22.209 2.006 0.652 0.811 0.941 0.706 CB 1.318 18 residues pruned to eliminate duplicates Z: 18 21.085 2.009 0.478 0.809 1.000 0.765 CA 1.316 18 residues pruned to eliminate duplicates Z: 20 17.364 1.990 0.561 0.750 0.947 0.895 CB 1.082 20 residues pruned to eliminate duplicates Z: 22 20.858 1.904 0.651 0.700 0.952 0.667 CB 1.267 22 residues pruned to eliminate duplicates Z: 18 26.020 2.025 0.624 0.842 1.000 0.765 CA 1.430 18 residues pruned to eliminate duplicates Z: 19 26.050 1.967 0.638 0.833 1.000 0.778 CA 1.429 19 residues pruned to eliminate duplicates 942 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 12 D: 10 E: 11 F: 11 G: 10 H: 11 I: 11 J: 11 K: 36 L: 13 M: 15 N: 12 O: 9 P: 18 Q: 27 R: 12 S: 14 T: 13 U: 48 V: 11 W: 35 X: 6 Y: 170 Z: 16 Z: 44 Z: 15 Z: 65 Z: 37 Z: 141 Z: 9 Z: 16 Z: 40 Z: 21 CC for partial structure against native data = 33.54 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.425, Connect. = 0.705 for dens.mod. cycle 1 = 0.300, Contrast = 0.485, Connect. = 0.727 for dens.mod. cycle 2 = 0.300, Contrast = 0.572, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.579, Connect. = 0.759 for dens.mod. cycle 4 = 0.300, Contrast = 0.587, Connect. = 0.760 for dens.mod. cycle 5 = 0.300, Contrast = 0.591, Connect. = 0.762 for dens.mod. cycle 6 = 0.300, Contrast = 0.595, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.597, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.598, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.599, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4755 peaks > 0.5 sigma used to seed fragment search Space for about 1487 unique residues taking solvent into account 1160 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 16.396 1.928 0.799 0.847 1.000 0.750 CB 1.241 B: 15 22.886 1.865 0.705 0.929 1.000 0.857 CB 1.346 C: 16 14.826 1.939 0.596 0.775 0.800 0.733 CA 1.213 D: 16 20.280 2.022 0.621 0.827 0.867 0.667 CA 1.389 16 residues pruned to eliminate duplicates E: 10 17.921 1.882 0.691 0.863 0.889 0.556 CB 1.549 10 residues pruned to eliminate duplicates F: 20 20.674 1.858 0.866 0.801 0.895 0.737 CB 1.175 G: 11 21.220 2.043 0.934 0.817 1.000 0.800 CA 1.289 H: 15 23.650 1.838 0.727 0.909 1.000 0.786 CB 1.413 15 residues pruned to eliminate duplicates I: 12 21.057 2.009 0.588 0.904 1.000 0.818 CA 1.417 J: 16 21.747 1.762 0.928 0.890 0.933 0.800 CB 1.275 16 residues pruned to eliminate duplicates K: 11 12.069 1.858 0.484 0.640 0.900 0.700 CA 1.348 11 residues pruned to eliminate duplicates L: 13 14.608 1.751 0.779 0.815 0.833 0.667 CB 1.235 13 residues pruned to eliminate duplicates M: 16 13.612 1.738 0.237 0.925 1.000 0.933 CA 1.148 N: 17 10.559 1.858 0.586 0.394 0.875 0.562 CB 1.145 O: 17 28.697 1.863 0.921 0.897 1.000 0.500 CB 1.435 P: 17 21.434 1.894 0.593 0.854 1.000 0.688 CA 1.312 16 residues pruned to eliminate duplicates Q: 11 18.590 2.090 0.287 0.885 1.000 0.900 CB 1.578 11 residues pruned to eliminate duplicates R: 8 9.316 1.571 0.522 0.818 0.857 0.714 N 1.303 S: 12 18.090 1.923 0.497 0.823 1.000 0.727 CB 1.433 T: 10 21.139 2.170 0.717 0.907 1.000 0.667 CB 1.344 10 residues pruned to eliminate duplicates U: 12 22.767 1.966 0.811 0.904 1.000 1.000 CA 1.374 V: 10 23.526 2.217 0.750 0.897 1.000 1.000 CB 1.446 12 residues pruned to eliminate duplicates W: 16 11.417 1.715 0.404 0.674 1.000 0.667 CB 1.043 X: 15 20.342 1.724 0.739 0.924 1.000 0.857 CB 1.274 14 residues pruned to eliminate duplicates Y: 12 16.695 1.794 0.757 0.859 0.909 0.636 CA 1.292 12 residues pruned to eliminate duplicates Z: 15 31.089 1.967 0.975 0.903 1.000 0.786 CB 1.525 16 residues pruned to eliminate duplicates Z: 7 9.728 1.762 0.734 0.771 0.833 0.833 CB 1.227 Z: 8 15.649 1.847 0.878 0.846 1.000 0.857 CB 1.267 Z: 30 17.226 1.968 0.449 0.425 0.828 0.690 CB 1.466 7 residues pruned to eliminate duplicates Z: 16 30.862 1.952 0.962 0.919 1.000 0.667 CB 1.467 16 residues pruned to eliminate duplicates Z: 17 23.275 1.854 0.731 0.898 0.938 0.875 CB 1.383 13 residues pruned to eliminate duplicates Z: 15 14.308 1.793 0.719 0.749 0.929 0.429 CB 1.070 Z: 14 19.486 1.886 0.716 0.888 0.923 0.846 CB 1.304 Z: 19 11.248 1.610 0.264 0.786 0.889 0.778 CB 1.139 14 residues pruned to eliminate duplicates Z: 14 17.951 1.840 0.541 0.907 1.000 0.923 CA 1.248 14 residues pruned to eliminate duplicates Z: 7 10.443 2.141 0.253 0.718 1.000 0.667 CA 1.305 7 residues pruned to eliminate duplicates Z: 18 25.214 1.760 0.949 0.900 0.941 0.647 CB 1.353 18 residues pruned to eliminate duplicates Z: 10 7.416 1.843 0.390 0.342 0.778 0.778 N 1.474 Z: 18 20.829 1.859 0.411 0.847 1.000 0.765 CA 1.429 18 residues pruned to eliminate duplicates Z: 14 15.425 1.846 0.589 0.878 0.923 0.923 CA 1.147 14 residues pruned to eliminate duplicates Z: 11 18.349 1.899 0.582 0.839 1.000 0.800 CB 1.443 11 residues pruned to eliminate duplicates Z: 7 13.837 2.021 0.489 0.824 1.000 1.000 CA 1.418 7 residues pruned to eliminate duplicates Z: 18 18.494 1.920 0.561 0.803 0.941 0.647 CB 1.220 18 residues pruned to eliminate duplicates Z: 12 13.388 1.717 0.493 0.884 1.000 0.909 CB 1.138 Z: 16 23.550 1.885 0.890 0.886 1.000 0.867 CB 1.232 16 residues pruned to eliminate duplicates Z: 7 9.802 1.703 0.450 0.898 1.000 1.000 CB 1.159 8 residues pruned to eliminate duplicates Z: 12 15.721 1.861 0.506 0.852 1.000 0.909 CB 1.251 12 residues pruned to eliminate duplicates Z: 22 21.552 1.986 0.659 0.543 0.857 0.667 CA 1.597 7 residues pruned to eliminate duplicates Z: 16 27.012 1.886 0.876 0.919 1.000 0.933 CA 1.390 16 residues pruned to eliminate duplicates Z: 9 17.256 1.949 0.592 0.883 1.000 0.750 CA 1.421 9 residues pruned to eliminate duplicates Z: 8 6.382 1.624 0.127 0.766 1.000 0.571 CB 1.041 Z: 7 9.935 1.677 0.302 0.799 1.000 0.833 CA 1.431 7 residues pruned to eliminate duplicates Z: 6 3.436 1.822 -0.053 0.493 0.800 0.800 CB 1.121 Z: 18 27.291 1.940 0.955 0.804 1.000 0.765 CA 1.338 20 residues pruned to eliminate duplicates Z: 11 15.322 1.676 0.563 0.884 1.000 0.900 CB 1.336 Z: 16 10.605 1.728 0.106 0.916 1.000 1.000 CA 1.012 16 residues pruned to eliminate duplicates Z: 18 22.844 1.925 0.859 0.788 0.882 0.588 CB 1.363 18 residues pruned to eliminate duplicates Z: 6 2.151 1.623 0.494 0.426 0.400 0.400 N 1.071 6 residues pruned to eliminate duplicates Z: 29 12.931 1.942 0.297 0.357 0.821 0.607 CB 1.379 29 residues pruned to eliminate duplicates Z: 18 13.738 1.564 0.551 0.781 1.000 0.706 CB 1.072 18 residues pruned to eliminate duplicates Z: 6 10.352 1.974 0.315 0.656 1.000 1.000 CB 1.543 Z: 11 18.725 2.014 0.568 0.811 1.000 0.900 CB 1.430 11 residues pruned to eliminate duplicates Z: 16 25.284 1.745 1.004 0.918 0.933 0.867 CB 1.410 Z: 14 26.186 1.924 0.848 0.904 1.000 0.846 CA 1.454 Z: 18 17.851 1.881 0.412 0.820 1.000 0.824 CA 1.234 18 residues pruned to eliminate duplicates Z: 17 31.080 1.889 0.901 0.923 1.000 0.750 N 1.521 17 residues pruned to eliminate duplicates Z: 13 17.547 1.780 0.966 0.823 1.000 0.833 CB 1.094 13 residues pruned to eliminate duplicates Z: 7 10.058 1.859 0.544 0.706 0.833 0.500 CA 1.424 7 residues pruned to eliminate duplicates Z: 21 10.365 1.767 0.268 0.488 0.800 0.450 CB 1.308 16 residues pruned to eliminate duplicates Z: 8 11.706 1.721 0.574 0.875 1.000 0.714 CB 1.188 8 residues pruned to eliminate duplicates Z: 12 12.048 1.922 0.327 0.769 0.909 0.636 CB 1.235 12 residues pruned to eliminate duplicates Z: 18 24.058 1.917 0.733 0.820 1.000 0.706 CB 1.330 18 residues pruned to eliminate duplicates Z: 17 25.835 1.864 0.867 0.848 1.000 0.688 CB 1.377 17 residues pruned to eliminate duplicates Z: 7 3.926 1.597 0.580 0.473 0.667 0.500 N 0.979 Z: 73 28.831 1.913 0.547 0.478 0.889 0.611 CB 1.321 48 residues pruned to eliminate duplicates Z: 11 21.413 2.062 0.675 0.827 1.000 0.800 CA 1.477 11 residues pruned to eliminate duplicates Z: 11 7.581 1.907 0.516 0.341 0.700 0.400 CA 1.408 11 residues pruned to eliminate duplicates Z: 16 9.438 1.844 0.467 0.383 0.800 0.533 CA 1.276 Z: 13 6.451 1.571 -0.060 0.836 1.000 0.750 CB 0.944 13 residues pruned to eliminate duplicates Z: 19 22.575 1.925 0.654 0.799 0.944 0.722 CB 1.362 19 residues pruned to eliminate duplicates Z: 6 2.992 1.745 0.627 0.382 0.600 0.400 N 0.891 Z: 16 25.898 1.814 0.902 0.895 0.933 0.867 CA 1.489 17 residues pruned to eliminate duplicates Z: 12 13.798 1.779 0.563 0.669 1.000 0.636 CB 1.280 12 residues pruned to eliminate duplicates Z: 21 10.397 1.798 0.443 0.282 0.850 0.650 CB 1.349 10 residues pruned to eliminate duplicates Z: 8 11.541 1.937 0.205 0.905 1.000 1.000 CA 1.330 8 residues pruned to eliminate duplicates Z: 7 2.604 1.606 0.684 0.247 0.500 0.333 CB 1.052 Z: 16 20.194 1.867 0.726 0.896 0.933 0.800 CA 1.242 Z: 6 5.552 1.713 0.983 0.784 1.000 0.400 CB 0.569 5 residues pruned to eliminate duplicates Z: 14 15.849 1.799 0.732 0.793 0.923 0.769 CB 1.182 20 residues pruned to eliminate duplicates Z: 15 25.878 1.955 0.838 0.882 0.929 0.786 CA 1.500 14 residues pruned to eliminate duplicates Z: 16 22.867 1.966 0.477 0.901 1.000 0.867 CA 1.451 16 residues pruned to eliminate duplicates Z: 13 12.209 1.780 0.395 0.711 0.917 0.750 CB 1.279 13 residues pruned to eliminate duplicates Z: 10 6.601 1.721 0.448 0.273 1.000 0.556 CB 1.142 6 0.912 1.626 -0.101 0.459 0.800 0.600 CB 0.364 ? Z: 19 19.307 1.904 0.505 0.798 0.944 0.667 CB 1.296 19 residues pruned to eliminate duplicates Z: 17 14.519 1.677 0.479 0.717 0.938 0.688 CB 1.283 12 residues pruned to eliminate duplicates Z: 16 28.802 1.939 0.879 0.939 1.000 0.800 CB 1.418 16 residues pruned to eliminate duplicates Z: 17 24.724 1.844 0.738 0.925 1.000 1.000 CA 1.354 16 residues pruned to eliminate duplicates Z: 16 22.639 1.851 0.607 0.901 1.000 0.933 CA 1.403 14 residues pruned to eliminate duplicates Z: 17 32.720 1.879 1.140 0.929 1.000 0.688 CB 1.423 18 residues pruned to eliminate duplicates Z: 16 19.491 1.817 0.820 0.847 0.867 0.800 CB 1.304 15 residues pruned to eliminate duplicates Z: 18 12.456 1.835 0.621 0.342 0.941 0.529 CB 1.282 Z: 15 27.245 1.884 0.890 0.865 1.000 0.571 CA 1.498 15 residues pruned to eliminate duplicates Z: 21 19.667 1.932 0.685 0.573 1.000 0.550 CB 1.259 27 residues pruned to eliminate duplicates Z: 15 17.588 1.816 0.617 0.853 0.929 0.857 CB 1.275 15 residues pruned to eliminate duplicates Z: 12 8.127 1.737 0.383 0.487 0.727 0.545 CB 1.421 12 residues pruned to eliminate duplicates Z: 11 14.373 1.697 0.563 0.682 1.000 0.700 CB 1.450 Z: 22 24.248 1.987 0.731 0.525 1.000 0.619 CA 1.501 22 residues pruned to eliminate duplicates Z: 13 13.396 1.849 0.303 0.804 1.000 0.667 CA 1.231 13 residues pruned to eliminate duplicates Z: 9 8.785 1.674 0.172 0.871 1.000 0.375 CB 1.155 Z: 18 18.221 1.884 0.452 0.801 1.000 0.647 CB 1.242 16 residues pruned to eliminate duplicates Z: 11 4.314 1.616 0.349 0.230 0.700 0.600 N 1.224 11 residues pruned to eliminate duplicates Z: 7 12.438 1.719 0.852 0.890 1.000 0.667 CA 1.148 7 residues pruned to eliminate duplicates Z: 16 21.181 1.763 0.363 0.936 1.000 0.867 CB 1.585 15 residues pruned to eliminate duplicates Z: 10 13.364 1.742 0.494 0.870 0.889 0.889 CA 1.406 10 residues pruned to eliminate duplicates Z: 15 27.066 1.921 0.785 0.909 1.000 0.714 CB 1.498 14 residues pruned to eliminate duplicates Z: 9 4.868 1.863 0.101 0.486 0.750 0.750 CB 1.135 Z: 36 18.023 1.982 0.470 0.373 0.857 0.543 CB 1.397 37 residues pruned to eliminate duplicates Z: 10 18.527 2.002 0.644 0.789 1.000 0.556 CB 1.456 10 residues pruned to eliminate duplicates Z: 6 3.449 1.466 0.751 0.527 0.800 0.600 N 0.731 Z: 14 12.906 1.740 0.792 0.698 0.846 0.385 CB 1.133 14 residues pruned to eliminate duplicates Z: 9 4.666 1.548 0.163 0.274 1.000 0.500 CB 1.184 Z: 7 7.616 1.877 0.068 0.782 1.000 1.000 CB 1.210 Z: 11 12.680 1.640 0.611 0.824 1.000 0.800 CB 1.147 Z: 17 22.986 1.775 0.737 0.900 1.000 0.750 CA 1.331 16 residues pruned to eliminate duplicates Z: 13 6.111 1.630 0.255 0.512 0.833 0.583 CB 1.022 13 residues pruned to eliminate duplicates Z: 18 18.355 1.928 0.445 0.779 0.882 0.765 CB 1.417 18 residues pruned to eliminate duplicates Z: 6 5.663 1.569 -0.016 0.858 1.000 0.800 N 1.207 6 residues pruned to eliminate duplicates Z: 14 5.238 1.596 0.395 0.392 0.769 0.385 CB 0.950 Z: 15 18.776 2.006 0.367 0.861 0.929 0.857 CA 1.448 15 residues pruned to eliminate duplicates Z: 6 9.538 1.749 0.271 0.817 1.000 1.000 CA 1.457 Z: 17 13.829 2.024 0.406 0.549 0.938 0.750 CB 1.235 8 residues pruned to eliminate duplicates Z: 14 21.872 1.883 0.862 0.856 0.923 0.846 CB 1.382 14 residues pruned to eliminate duplicates Z: 29 19.996 1.966 0.438 0.547 0.893 0.679 CA 1.430 29 residues pruned to eliminate duplicates Z: 21 17.051 1.949 0.446 0.573 0.950 0.500 CB 1.327 21 residues pruned to eliminate duplicates Z: 19 10.637 1.835 0.485 0.438 0.833 0.667 CB 1.177 15 residues pruned to eliminate duplicates Z: 9 3.742 1.699 0.106 0.445 0.625 0.500 CB 1.192 Z: 14 25.555 1.952 0.732 0.923 1.000 1.000 CA 1.474 14 residues pruned to eliminate duplicates Z: 15 20.921 1.857 0.751 0.869 0.929 0.857 CB 1.352 15 residues pruned to eliminate duplicates Z: 21 23.607 2.021 0.696 0.562 0.900 0.750 CB 1.610 21 residues pruned to eliminate duplicates Z: 14 25.926 1.865 1.170 0.888 1.000 0.846 CB 1.280 14 residues pruned to eliminate duplicates Z: 24 16.880 1.972 0.578 0.391 0.870 0.435 CA 1.461 19 residues pruned to eliminate duplicates Z: 11 18.786 2.080 0.520 0.834 1.000 0.900 CA 1.408 11 residues pruned to eliminate duplicates Z: 11 16.048 1.841 0.392 0.826 1.000 0.800 CB 1.493 9 residues pruned to eliminate duplicates Z: 17 12.756 1.621 0.650 0.798 0.875 0.562 CB 1.050 17 residues pruned to eliminate duplicates Z: 6 2.976 1.707 0.432 0.451 0.600 0.600 CB 0.954 Z: 14 23.467 1.892 0.693 0.877 1.000 0.846 CA 1.476 14 residues pruned to eliminate duplicates Z: 9 2.591 1.708 -0.003 0.325 0.750 0.500 CB 0.870 9 residues pruned to eliminate duplicates Z: 8 5.635 1.684 0.487 0.320 0.857 0.714 N 1.210 Z: 9 11.075 1.645 0.456 0.817 0.875 0.625 CB 1.418 Z: 12 11.617 1.913 0.812 0.369 0.818 0.455 CB 1.422 12 residues pruned to eliminate duplicates Z: 17 21.285 1.876 0.537 0.898 1.000 0.875 CA 1.320 17 residues pruned to eliminate duplicates Z: 11 19.128 2.001 0.412 0.829 1.000 0.800 CA 1.612 11 residues pruned to eliminate duplicates Z: 7 7.014 1.608 0.699 0.680 0.833 0.667 CA 1.066 7 residues pruned to eliminate duplicates Z: 15 19.505 2.029 0.628 0.846 0.857 0.714 CA 1.368 15 residues pruned to eliminate duplicates Z: 15 20.183 1.830 0.770 0.903 1.000 0.857 CA 1.188 15 residues pruned to eliminate duplicates Z: 15 18.808 1.840 0.679 0.864 0.929 0.857 CB 1.285 15 residues pruned to eliminate duplicates Z: 14 6.868 1.915 0.186 0.425 0.846 0.538 CB 1.071 Z: 9 7.957 1.648 0.168 0.825 0.875 0.750 CB 1.260 Z: 15 14.771 1.749 0.583 0.709 1.000 0.714 CB 1.180 15 residues pruned to eliminate duplicates Z: 15 7.274 1.585 0.444 0.248 0.857 0.429 CB 1.325 Z: 22 15.927 1.817 0.200 0.793 0.952 0.619 CB 1.294 22 residues pruned to eliminate duplicates Z: 13 8.854 1.552 0.438 0.894 1.000 0.917 CB 0.821 7 residues pruned to eliminate duplicates Z: 16 24.522 1.822 1.002 0.921 1.000 0.467 CB 1.221 16 residues pruned to eliminate duplicates Z: 17 16.196 1.750 0.393 0.891 1.000 0.812 CA 1.194 16 residues pruned to eliminate duplicates Z: 18 10.059 1.751 0.517 0.407 0.824 0.647 CB 1.230 17 residues pruned to eliminate duplicates Z: 11 18.739 1.841 1.004 0.817 1.000 0.500 CB 1.220 11 residues pruned to eliminate duplicates Z: 32 17.687 1.928 0.572 0.358 0.871 0.645 CA 1.403 34 residues pruned to eliminate duplicates Z: 10 12.513 1.775 0.587 0.899 1.000 1.000 CB 1.059 10 residues pruned to eliminate duplicates Z: 7 3.506 1.698 -0.238 0.418 1.000 0.667 CB 1.204 Z: 10 9.917 1.860 0.544 0.367 0.889 0.556 CB 1.492 10 residues pruned to eliminate duplicates Z: 9 11.482 1.872 0.498 0.544 1.000 0.750 CA 1.386 9 residues pruned to eliminate duplicates Z: 16 22.508 1.812 0.952 0.842 0.933 0.733 CB 1.311 16 residues pruned to eliminate duplicates Z: 11 11.823 1.898 0.273 0.782 1.000 0.700 CA 1.207 11 residues pruned to eliminate duplicates Z: 17 26.122 1.799 0.765 0.938 1.000 0.875 CA 1.431 15 residues pruned to eliminate duplicates Z: 12 6.556 1.683 0.242 0.329 0.909 0.636 CB 1.254 Z: 14 9.077 1.735 0.462 0.406 0.846 0.692 CA 1.294 Z: 11 10.118 1.601 0.558 0.867 1.000 0.600 CB 0.939 11 residues pruned to eliminate duplicates Z: 8 3.588 1.553 -0.139 0.704 1.000 0.571 CB 0.843 Z: 10 16.833 1.668 0.958 0.840 1.000 0.889 N 1.282 Z: 17 22.151 1.875 0.788 0.888 0.938 0.750 CA 1.269 16 residues pruned to eliminate duplicates Z: 18 6.337 1.622 0.487 0.342 0.824 0.529 CB 0.919 15 residues pruned to eliminate duplicates Z: 16 22.213 1.799 0.793 0.868 0.933 0.667 CB 1.392 16 residues pruned to eliminate duplicates Z: 16 20.727 1.907 0.475 0.890 1.000 0.733 CA 1.368 16 residues pruned to eliminate duplicates Z: 12 16.134 1.701 0.539 0.828 1.000 0.636 CB 1.399 12 residues pruned to eliminate duplicates Z: 9 4.696 1.514 0.173 0.530 0.875 0.500 CB 1.038 8 residues pruned to eliminate duplicates Z: 9 4.938 1.607 0.370 0.529 0.625 0.500 N 1.233 9 residues pruned to eliminate duplicates Z: 8 4.447 1.554 0.158 0.314 0.857 0.429 CB 1.339 Z: 13 11.673 1.736 0.743 0.668 0.750 0.500 CB 1.272 13 residues pruned to eliminate duplicates Z: 9 9.813 1.660 0.386 0.825 0.875 0.750 N 1.301 9 residues pruned to eliminate duplicates Z: 6 4.647 1.457 0.511 0.840 0.800 0.800 CB 0.881 Z: 7 5.032 1.679 0.003 0.828 0.833 0.667 CB 1.102 Z: 6 6.065 1.518 0.829 0.841 1.000 0.800 CB 0.728 Z: 15 6.579 1.623 0.733 0.152 0.786 0.429 CB 1.220 15 residues pruned to eliminate duplicates Z: 13 18.869 1.892 0.586 0.869 1.000 0.833 CA 1.326 13 residues pruned to eliminate duplicates Z: 14 15.529 1.845 0.611 0.814 1.000 0.692 CB 1.103 14 residues pruned to eliminate duplicates Z: 7 6.614 1.877 0.690 0.493 0.667 0.333 CA 1.286 7 residues pruned to eliminate duplicates Z: 26 14.900 1.838 0.483 0.622 0.840 0.480 CB 1.160 21 residues pruned to eliminate duplicates Z: 11 11.748 1.659 0.807 0.777 1.000 0.700 CB 0.971 11 residues pruned to eliminate duplicates Z: 13 20.777 1.940 0.676 0.913 1.000 1.000 CA 1.305 13 residues pruned to eliminate duplicates Z: 14 22.053 1.802 0.845 0.896 1.000 0.846 CB 1.318 17 residues pruned to eliminate duplicates Z: 6 6.116 1.756 -0.181 0.811 1.000 0.800 CB 1.451 6 residues pruned to eliminate duplicates Z: 11 16.881 1.980 0.363 0.810 1.000 0.700 CB 1.509 11 residues pruned to eliminate duplicates Z: 8 8.712 1.730 0.650 0.790 1.000 0.571 CB 0.894 8 residues pruned to eliminate duplicates Z: 14 23.493 1.896 0.826 0.851 1.000 0.923 CA 1.392 14 residues pruned to eliminate duplicates Z: 13 16.969 1.888 0.428 0.888 0.917 0.750 CB 1.427 13 residues pruned to eliminate duplicates Z: 10 9.555 1.543 0.704 0.653 0.889 0.556 CB 1.182 10 residues pruned to eliminate duplicates Z: 10 4.555 1.708 0.694 0.509 0.667 0.556 CB 0.780 Z: 12 15.033 1.920 0.339 0.829 1.000 0.727 CA 1.326 12 residues pruned to eliminate duplicates Z: 15 20.934 1.866 0.535 0.916 0.929 0.929 CB 1.486 15 residues pruned to eliminate duplicates Z: 6 3.051 1.793 0.176 0.464 0.600 0.400 CB 1.118 Z: 20 21.832 1.920 0.610 0.790 0.895 0.684 CB 1.404 20 residues pruned to eliminate duplicates Z: 17 7.119 1.918 0.484 0.400 0.812 0.562 CB 0.855 3 residues pruned to eliminate duplicates Z: 8 13.599 1.953 0.654 0.814 1.000 0.857 CA 1.211 8 residues pruned to eliminate duplicates Z: 14 17.273 1.857 0.477 0.905 0.923 0.769 CA 1.346 15 residues pruned to eliminate duplicates Z: 14 7.176 1.719 0.356 0.459 0.769 0.538 CA 1.158 14 residues pruned to eliminate duplicates Z: 8 4.887 1.685 0.502 0.287 1.000 0.714 CB 0.928 Z: 16 21.535 1.929 0.595 0.863 0.933 0.867 CA 1.420 18 residues pruned to eliminate duplicates Z: 28 11.109 1.705 0.207 0.410 0.963 0.556 CB 1.185 13 residues pruned to eliminate duplicates Z: 9 10.140 1.698 0.250 0.782 1.000 0.500 N 1.317 9 residues pruned to eliminate duplicates Z: 14 27.054 1.978 0.778 0.898 1.000 0.923 CA 1.527 14 residues pruned to eliminate duplicates Z: 16 27.349 1.909 0.774 0.926 1.000 1.000 CA 1.463 16 residues pruned to eliminate duplicates Z: 6 6.462 1.450 0.654 0.817 1.000 1.000 CB 0.915 Z: 12 11.713 1.687 0.462 0.876 1.000 0.818 CB 1.041 12 residues pruned to eliminate duplicates Z: 18 10.868 1.692 0.405 0.449 0.882 0.706 CB 1.324 19 residues pruned to eliminate duplicates Z: 8 8.629 1.585 0.397 0.844 1.000 1.000 CA 1.096 8 residues pruned to eliminate duplicates Z: 17 19.024 1.864 0.546 0.915 1.000 0.938 CA 1.167 17 residues pruned to eliminate duplicates Z: 17 22.580 1.984 0.785 0.823 0.875 0.750 CA 1.376 17 residues pruned to eliminate duplicates Z: 30 21.852 2.033 0.567 0.434 0.897 0.552 CB 1.521 37 residues pruned to eliminate duplicates Z: 32 18.939 1.928 0.568 0.408 0.871 0.516 CA 1.423 41 residues pruned to eliminate duplicates Z: 18 15.509 1.865 0.449 0.796 0.882 0.412 CA 1.217 18 residues pruned to eliminate duplicates Z: 6 2.953 1.714 0.219 0.402 0.600 0.400 N 1.168 5 residues pruned to eliminate duplicates Z: 6 4.844 1.618 0.586 0.477 0.800 0.800 CB 1.080 7 1.857 1.539 0.224 0.289 0.667 0.333 N 0.765 ? Z: 6 4.848 1.857 0.013 0.638 1.000 0.800 CB 1.012 Z: 30 22.528 1.967 0.524 0.654 0.862 0.690 CA 1.403 30 residues pruned to eliminate duplicates Z: 15 31.417 1.953 1.082 0.928 1.000 0.643 CB 1.446 16 residues pruned to eliminate duplicates Z: 8 14.343 1.981 0.572 0.898 1.000 0.857 CB 1.246 8 residues pruned to eliminate duplicates Z: 58 28.551 1.954 0.583 0.487 0.860 0.596 CB 1.441 60 residues pruned to eliminate duplicates 7 1.438 1.560 0.200 0.248 0.667 0.500 CB 0.628 ? Z: 15 23.949 1.838 0.778 0.879 1.000 0.643 CB 1.420 15 residues pruned to eliminate duplicates Z: 12 7.981 1.692 0.265 0.518 0.818 0.545 N 1.350 12 residues pruned to eliminate duplicates Z: 13 6.781 1.666 0.423 0.771 0.833 0.583 CB 0.780 Z: 9 7.168 1.360 0.919 0.704 0.875 0.500 CA 0.922 Z: 14 21.502 1.910 0.581 0.882 1.000 0.769 CB 1.429 14 residues pruned to eliminate duplicates Z: 14 18.993 1.778 0.664 0.912 1.000 0.923 CA 1.261 14 residues pruned to eliminate duplicates Z: 8 14.977 1.798 0.625 0.864 1.000 0.714 CB 1.420 9 residues pruned to eliminate duplicates Z: 17 26.413 1.774 0.897 0.884 1.000 0.875 CA 1.418 17 residues pruned to eliminate duplicates Z: 11 21.950 2.036 0.667 0.860 1.000 0.900 CB 1.504 11 residues pruned to eliminate duplicates Z: 16 15.282 1.739 0.630 0.891 0.867 0.733 CA 1.154 16 residues pruned to eliminate duplicates Z: 36 19.882 1.827 0.557 0.554 0.857 0.743 CB 1.307 34 residues pruned to eliminate duplicates Z: 16 18.288 1.778 0.518 0.859 1.000 0.800 CB 1.287 16 residues pruned to eliminate duplicates Z: 13 4.662 1.506 0.233 0.416 0.750 0.417 CB 1.055 13 residues pruned to eliminate duplicates Z: 6 2.787 1.764 -0.080 0.597 0.800 0.600 CB 0.875 Z: 10 7.601 1.628 0.484 0.611 0.778 0.667 CB 1.214 13 residues pruned to eliminate duplicates Z: 15 7.159 1.718 0.488 0.311 0.714 0.429 CB 1.291 Z: 7 6.827 1.609 0.629 0.775 0.833 0.667 CA 1.001 Z: 7 6.531 1.648 0.427 0.532 0.833 0.667 CB 1.319 Z: 7 10.618 1.806 0.533 0.858 0.833 0.667 CA 1.383 7 residues pruned to eliminate duplicates Z: 7 6.350 1.807 0.278 0.718 0.833 0.667 CB 1.106 Z: 7 4.621 1.493 0.521 0.349 0.833 0.333 O 1.175 Z: 16 13.058 1.998 0.411 0.354 0.933 0.333 CB 1.500 16 residues pruned to eliminate duplicates Z: 8 6.732 1.543 0.588 0.679 0.714 0.714 CA 1.233 Z: 18 9.154 1.632 0.391 0.512 0.765 0.647 CA 1.264 18 residues pruned to eliminate duplicates Z: 30 15.686 1.896 0.476 0.405 0.828 0.552 CB 1.390 30 residues pruned to eliminate duplicates Z: 11 6.173 1.772 0.178 0.413 0.900 0.300 CB 1.139 6 1.856 1.534 -0.093 0.335 0.600 0.400 O 1.191 ? Z: 15 13.056 1.939 0.585 0.382 0.786 0.500 CB 1.639 15 residues pruned to eliminate duplicates Z: 16 20.929 1.781 0.862 0.845 0.933 0.733 CB 1.299 16 residues pruned to eliminate duplicates Z: 17 25.331 1.975 0.922 0.787 0.875 0.562 CB 1.481 17 residues pruned to eliminate duplicates Z: 8 13.081 1.768 0.509 0.901 1.000 1.000 CA 1.323 7 residues pruned to eliminate duplicates Z: 6 4.770 1.679 0.524 0.480 0.600 0.400 CB 1.418 Z: 9 6.427 1.792 0.257 0.437 0.875 0.625 CB 1.230 Z: 7 3.713 1.587 0.013 0.460 0.833 0.500 CA 1.179 5 residues pruned to eliminate duplicates Z: 11 15.509 1.808 0.367 0.809 1.000 0.600 CB 1.516 11 residues pruned to eliminate duplicates Z: 10 10.822 1.812 0.591 0.382 1.000 0.667 CA 1.418 10 residues pruned to eliminate duplicates Z: 9 11.343 1.725 0.315 0.818 1.000 0.875 N 1.341 9 residues pruned to eliminate duplicates Z: 12 9.607 1.704 0.547 0.539 0.909 0.545 CB 1.163 Z: 10 10.941 1.615 0.486 0.846 1.000 0.667 CB 1.130 Z: 13 15.592 1.713 0.564 0.881 0.917 0.750 N 1.327 13 residues pruned to eliminate duplicates Z: 10 16.991 1.725 0.662 0.866 1.000 1.000 CB 1.446 11 residues pruned to eliminate duplicates Z: 25 14.628 1.856 0.724 0.511 0.917 0.583 CB 1.007 27 residues pruned to eliminate duplicates Z: 6 2.223 1.574 -0.206 0.474 0.800 0.600 CB 1.021 Z: 10 11.261 1.865 0.622 0.383 1.000 0.444 CB 1.405 10 residues pruned to eliminate duplicates Z: 15 16.061 1.803 0.352 0.927 0.929 0.929 CA 1.329 15 residues pruned to eliminate duplicates Z: 14 17.741 1.800 0.734 0.851 0.923 0.846 CA 1.264 14 residues pruned to eliminate duplicates Z: 35 19.238 1.901 0.571 0.432 0.853 0.500 CB 1.390 35 residues pruned to eliminate duplicates Z: 8 4.050 1.858 0.196 0.469 0.714 0.571 CB 0.995 8 residues pruned to eliminate duplicates Z: 7 8.150 1.707 0.639 0.542 0.833 0.667 O 1.370 6 residues pruned to eliminate duplicates Z: 12 4.250 1.535 0.103 0.393 0.818 0.455 CB 1.036 5 residues pruned to eliminate duplicates Z: 15 20.846 1.859 0.755 0.874 1.000 0.857 CA 1.242 15 residues pruned to eliminate duplicates Z: 9 10.505 1.766 0.417 0.787 1.000 0.750 CB 1.152 Z: 7 6.404 1.621 0.269 0.844 0.833 0.333 CB 1.135 7 residues pruned to eliminate duplicates Z: 13 6.816 1.674 0.186 0.560 0.833 0.583 CB 1.121 13 residues pruned to eliminate duplicates Z: 22 12.092 1.894 0.573 0.322 0.810 0.524 CB 1.331 31 residues pruned to eliminate duplicates Z: 27 17.344 1.920 0.429 0.406 0.962 0.615 CB 1.423 27 residues pruned to eliminate duplicates Z: 17 17.885 1.852 0.536 0.885 0.938 0.688 CA 1.210 17 residues pruned to eliminate duplicates Z: 15 7.729 1.801 0.452 0.309 0.786 0.286 CB 1.243 15 residues pruned to eliminate duplicates Z: 18 25.480 1.773 0.960 0.917 1.000 0.529 CA 1.255 18 residues pruned to eliminate duplicates Z: 7 4.134 1.693 0.121 0.590 0.833 0.500 CB 0.978 7 residues pruned to eliminate duplicates Z: 15 27.307 1.905 0.964 0.878 1.000 0.786 CA 1.415 17 residues pruned to eliminate duplicates Z: 17 21.715 1.849 0.610 0.915 1.000 0.938 CA 1.289 17 residues pruned to eliminate duplicates Z: 11 18.214 1.889 0.890 0.917 0.900 0.900 CB 1.265 11 residues pruned to eliminate duplicates Z: 10 11.324 1.743 0.414 0.826 1.000 0.667 CB 1.155 9 residues pruned to eliminate duplicates Z: 12 16.126 1.896 0.351 0.835 1.000 0.818 CB 1.422 12 residues pruned to eliminate duplicates Z: 15 15.806 1.793 0.560 0.846 0.929 0.929 CA 1.208 15 residues pruned to eliminate duplicates Z: 9 15.937 1.665 0.873 0.837 1.000 0.750 CA 1.352 9 residues pruned to eliminate duplicates Z: 11 11.644 1.648 0.417 0.846 0.900 0.500 CB 1.303 10 residues pruned to eliminate duplicates Z: 15 21.861 1.870 0.814 0.870 0.929 0.929 CB 1.354 15 residues pruned to eliminate duplicates Z: 11 12.462 1.764 0.494 0.782 1.000 0.600 CB 1.167 10 residues pruned to eliminate duplicates Z: 8 5.171 1.552 0.476 0.601 0.857 0.714 CB 0.904 Z: 19 14.302 1.668 0.516 0.810 0.944 0.778 CA 1.077 Z: 6 4.218 1.511 0.439 0.463 0.800 0.600 N 1.125 6 residues pruned to eliminate duplicates Z: 7 4.090 1.356 0.362 0.465 1.000 0.500 N 0.937 7 residues pruned to eliminate duplicates Z: 11 4.530 1.675 0.304 0.331 0.800 0.600 CB 0.986 Z: 8 9.297 1.702 0.563 0.858 0.857 0.714 CB 1.135 8 residues pruned to eliminate duplicates Z: 8 10.649 1.794 0.422 0.787 1.000 0.714 CB 1.226 8 residues pruned to eliminate duplicates Z: 11 11.363 1.841 0.349 0.550 1.000 0.500 CB 1.378 11 residues pruned to eliminate duplicates Z: 16 13.453 1.735 0.422 0.807 0.933 0.667 CB 1.155 16 residues pruned to eliminate duplicates Z: 6 3.643 1.602 0.314 0.500 0.800 0.800 CA 0.968 Z: 8 3.422 1.591 0.457 0.387 0.857 0.571 CB 0.734 Z: 14 9.453 1.723 0.602 0.509 0.846 0.769 CB 1.113 14 residues pruned to eliminate duplicates Z: 19 22.838 1.959 0.697 0.780 0.944 0.667 CA 1.339 19 residues pruned to eliminate duplicates Z: 7 4.131 1.766 0.289 0.251 0.833 0.667 CB 1.185 Z: 6 2.149 1.448 -0.172 0.462 0.800 0.800 CB 1.040 Z: 11 15.782 1.623 0.655 0.873 1.000 0.800 CB 1.354 11 residues pruned to eliminate duplicates Z: 13 9.820 1.877 0.468 0.552 0.750 0.667 CA 1.303 13 residues pruned to eliminate duplicates Z: 13 15.723 1.613 0.688 0.839 1.000 0.583 CB 1.245 14 residues pruned to eliminate duplicates Z: 13 6.734 1.834 0.553 0.356 0.833 0.583 CB 0.957 11 residues pruned to eliminate duplicates Z: 6 10.314 1.782 0.887 0.841 0.800 0.800 CB 1.279 6 residues pruned to eliminate duplicates Z: 10 5.550 1.502 0.626 0.414 0.889 0.444 CB 0.932 Z: 7 6.370 1.627 0.357 0.807 1.000 0.833 CB 0.901 5 residues pruned to eliminate duplicates Z: 11 5.531 1.206 0.416 0.658 1.000 0.600 CB 0.884 Z: 71 26.870 1.900 0.463 0.477 0.886 0.643 CB 1.335 106 residues pruned to eliminate duplicates Z: 8 5.444 1.828 0.345 0.451 0.714 0.571 CB 1.232 8 residues pruned to eliminate duplicates Z: 17 20.211 1.844 0.723 0.908 1.000 0.625 CA 1.130 17 residues pruned to eliminate duplicates Z: 46 24.159 1.955 0.541 0.558 0.933 0.533 CB 1.210 46 residues pruned to eliminate duplicates Z: 33 27.111 1.974 0.666 0.641 0.875 0.688 CA 1.459 33 residues pruned to eliminate duplicates Z: 6 10.111 1.824 0.721 0.842 0.800 0.400 CA 1.342 6 residues pruned to eliminate duplicates Z: 17 29.012 1.883 0.899 0.894 1.000 0.875 CA 1.456 17 residues pruned to eliminate duplicates Z: 10 10.418 1.706 0.330 0.782 1.000 0.778 CB 1.194 10 residues pruned to eliminate duplicates Z: 10 15.870 1.739 0.571 0.892 1.000 0.889 CB 1.391 10 residues pruned to eliminate duplicates Z: 15 9.012 1.877 0.464 0.387 0.714 0.500 CB 1.383 15 residues pruned to eliminate duplicates Z: 6 2.562 1.039 0.602 0.801 1.000 0.600 O 0.529 Z: 58 29.908 1.900 0.609 0.618 0.912 0.684 CB 1.270 60 residues pruned to eliminate duplicates Z: 8 3.124 1.452 0.112 0.316 0.857 0.286 N 1.045 Z: 22 18.372 1.966 0.641 0.516 0.905 0.524 CB 1.351 22 residues pruned to eliminate duplicates Z: 14 18.775 1.756 0.740 0.908 1.000 0.923 CA 1.211 14 residues pruned to eliminate duplicates Z: 10 7.752 1.525 0.548 0.850 1.000 0.889 CB 0.811 Z: 11 3.861 1.648 0.214 0.278 0.800 0.400 CB 0.980 11 residues pruned to eliminate duplicates Z: 13 9.154 1.756 0.744 0.392 0.833 0.583 CB 1.160 Z: 8 3.594 1.623 0.402 0.679 0.857 0.571 CB 0.591 Z: 10 12.022 1.698 0.426 0.892 0.889 0.889 CB 1.337 10 residues pruned to eliminate duplicates Z: 10 13.861 1.670 0.530 0.903 1.000 0.889 CA 1.289 10 residues pruned to eliminate duplicates Z: 10 15.579 1.819 0.750 0.854 0.889 0.778 CB 1.355 10 residues pruned to eliminate duplicates Z: 7 6.532 1.711 0.670 0.586 0.833 0.667 CB 1.031 7 residues pruned to eliminate duplicates Z: 8 4.746 1.558 0.540 0.457 0.857 0.571 CB 0.912 8 1.690 1.561 0.576 0.369 0.571 0.429 CB 0.523 ? Z: 8 3.597 1.353 0.681 0.270 1.000 0.714 CB 0.776 Z: 12 9.691 1.554 0.442 0.882 1.000 0.818 CB 0.943 11 residues pruned to eliminate duplicates Z: 15 13.397 1.811 0.583 0.805 0.929 0.786 CB 1.030 15 residues pruned to eliminate duplicates Z: 17 19.610 1.728 0.584 0.814 1.000 0.875 CB 1.364 17 residues pruned to eliminate duplicates Z: 7 12.582 1.759 0.643 0.858 1.000 1.000 CB 1.309 7 residues pruned to eliminate duplicates Z: 13 6.404 1.719 0.251 0.386 1.000 0.583 CB 0.971 6 residues pruned to eliminate duplicates Z: 6 4.503 1.565 0.587 0.378 0.800 0.400 O 1.155 6 residues pruned to eliminate duplicates Z: 17 14.771 1.949 0.404 0.614 1.000 0.688 CA 1.211 17 residues pruned to eliminate duplicates Z: 12 15.947 1.875 0.538 0.872 1.000 0.818 CB 1.216 12 residues pruned to eliminate duplicates Z: 15 15.568 1.853 0.411 0.895 0.929 0.857 CA 1.229 15 residues pruned to eliminate duplicates Z: 47 21.969 1.885 0.503 0.455 0.848 0.717 CA 1.411 52 residues pruned to eliminate duplicates Z: 23 15.164 1.876 0.412 0.582 0.955 0.727 CB 1.181 23 residues pruned to eliminate duplicates Z: 6 2.396 1.318 0.352 0.374 0.800 0.400 CA 0.860 Z: 10 10.724 1.712 0.377 0.849 0.889 0.889 CB 1.265 10 residues pruned to eliminate duplicates Z: 6 5.273 1.418 0.829 0.849 1.000 0.800 CB 0.674 Z: 8 3.096 1.362 0.315 0.403 0.714 0.429 N 1.012 Z: 6 6.489 1.678 0.704 0.447 1.000 0.400 CB 1.072 5 residues pruned to eliminate duplicates Z: 6 3.384 1.615 0.454 0.620 0.600 0.400 CA 0.958 5 residues pruned to eliminate duplicates Z: 17 17.314 1.793 0.594 0.892 1.000 0.812 CA 1.088 16 residues pruned to eliminate duplicates 6 1.803 1.482 -0.031 0.288 0.800 0.200 CB 0.890 ? Z: 7 5.029 1.610 0.073 0.732 1.000 0.833 CB 0.965 Z: 12 10.466 1.766 0.318 0.684 0.909 0.364 CB 1.259 12 residues pruned to eliminate duplicates Z: 10 16.357 1.741 0.810 0.862 1.000 0.778 CB 1.271 10 residues pruned to eliminate duplicates Z: 13 7.744 1.544 0.766 0.746 0.917 0.667 CB 0.718 8 residues pruned to eliminate duplicates Z: 15 19.412 1.803 0.635 0.781 1.000 0.786 CB 1.374 16 residues pruned to eliminate duplicates Z: 15 23.565 1.885 0.666 0.909 1.000 0.929 CA 1.424 15 residues pruned to eliminate duplicates Z: 15 25.340 1.924 0.662 0.911 1.000 0.714 CA 1.500 14 residues pruned to eliminate duplicates Z: 11 8.357 1.813 0.214 0.496 1.000 0.500 CB 1.206 9 residues pruned to eliminate duplicates Z: 9 5.441 1.715 0.034 0.854 1.000 0.750 CB 0.801 6 residues pruned to eliminate duplicates Z: 19 10.710 1.650 0.537 0.504 1.000 0.556 CB 0.991 12 residues pruned to eliminate duplicates Z: 6 3.503 1.695 0.277 0.383 1.000 0.600 N 0.820 6 residues pruned to eliminate duplicates Z: 37 12.055 1.873 0.275 0.304 0.806 0.556 CB 1.299 46 residues pruned to eliminate duplicates Z: 11 4.336 1.571 0.359 0.385 0.700 0.600 CB 1.037 9 residues pruned to eliminate duplicates Z: 15 15.536 1.832 0.384 0.920 1.000 0.929 CA 1.154 15 residues pruned to eliminate duplicates Z: 12 9.105 1.714 0.347 0.872 1.000 0.818 CB 0.867 12 residues pruned to eliminate duplicates Z: 16 6.534 1.901 0.284 0.211 0.800 0.333 CB 1.215 Z: 6 5.908 1.647 0.215 0.723 1.000 0.600 CA 1.080 Z: 11 6.020 1.587 0.495 0.526 0.900 0.800 CB 0.869 7 residues pruned to eliminate duplicates Z: 30 14.421 1.883 0.546 0.322 0.828 0.517 CB 1.352 30 residues pruned to eliminate duplicates Z: 9 8.320 1.533 0.411 0.884 1.000 0.875 CB 0.983 9 residues pruned to eliminate duplicates Z: 10 5.903 1.716 0.239 0.325 0.778 0.556 CB 1.442 10 residues pruned to eliminate duplicates Z: 11 6.337 1.683 0.152 0.359 0.900 0.700 N 1.337 11 residues pruned to eliminate duplicates Z: 6 6.771 1.614 0.635 0.776 1.000 1.000 CB 0.899 Z: 6 7.951 1.604 0.387 0.888 1.000 1.000 CA 1.151 6 residues pruned to eliminate duplicates Z: 8 3.636 1.266 0.588 0.307 0.857 0.429 CA 0.988 Z: 8 8.606 1.832 0.597 0.707 0.857 0.571 CA 1.074 8 residues pruned to eliminate duplicates Z: 8 4.484 1.691 0.466 0.307 1.000 0.714 CB 0.848 8 residues pruned to eliminate duplicates Z: 14 17.536 1.780 0.824 0.883 0.923 0.692 CB 1.174 14 residues pruned to eliminate duplicates Z: 14 17.062 1.966 0.396 0.851 1.000 0.769 CA 1.276 14 residues pruned to eliminate duplicates Z: 7 4.272 1.572 0.387 0.297 0.833 0.500 CA 1.204 Z: 6 11.049 1.729 0.834 0.638 1.000 0.800 CB 1.370 6 residues pruned to eliminate duplicates Z: 7 9.078 1.715 0.865 0.684 0.667 0.500 O 1.467 9 residues pruned to eliminate duplicates Z: 26 13.616 1.723 0.442 0.663 0.960 0.760 CA 0.982 25 residues pruned to eliminate duplicates 6 1.592 1.476 0.110 0.304 0.600 0.400 CB 0.901 ? Z: 11 12.187 1.661 0.548 0.849 0.800 0.800 N 1.388 11 residues pruned to eliminate duplicates Z: 10 9.421 1.703 0.327 0.815 1.000 0.889 CB 1.056 10 residues pruned to eliminate duplicates Z: 29 15.572 1.900 0.521 0.372 0.821 0.464 CA 1.421 29 residues pruned to eliminate duplicates Z: 42 23.982 1.931 0.635 0.603 0.902 0.634 CB 1.192 42 residues pruned to eliminate duplicates Z: 7 4.267 1.400 0.227 0.777 1.000 0.833 CB 0.794 Z: 11 6.979 1.593 0.179 0.434 1.000 0.400 CA 1.258 6 residues pruned to eliminate duplicates Z: 16 22.464 1.893 0.784 0.915 1.000 0.800 CA 1.214 16 residues pruned to eliminate duplicates Z: 21 6.149 1.663 0.357 0.359 0.800 0.500 CB 0.887 8 residues pruned to eliminate duplicates Z: 16 24.117 1.866 0.663 0.885 1.000 0.867 CA 1.449 16 residues pruned to eliminate duplicates Z: 33 23.284 1.996 0.657 0.611 0.875 0.656 CB 1.280 33 residues pruned to eliminate duplicates Z: 8 3.482 1.667 0.584 0.526 0.714 0.714 CB 0.680 Z: 8 2.314 1.433 0.234 0.225 0.714 0.286 CB 0.955 Z: 15 27.103 1.881 0.836 0.913 1.000 0.714 CB 1.485 16 residues pruned to eliminate duplicates Z: 55 22.891 1.937 0.551 0.500 0.833 0.463 CB 1.244 55 residues pruned to eliminate duplicates Z: 10 15.143 2.020 0.559 0.896 1.000 0.556 CB 1.149 Z: 12 9.737 1.603 0.650 0.715 0.909 0.818 CB 1.005 10 residues pruned to eliminate duplicates Z: 16 21.717 1.779 0.875 0.917 0.933 0.867 CA 1.271 16 residues pruned to eliminate duplicates Z: 7 5.122 1.498 0.344 0.513 0.833 0.333 N 1.231 Z: 10 5.187 1.587 0.251 0.444 0.889 0.556 CB 1.037 9 residues pruned to eliminate duplicates Z: 9 11.096 1.732 0.547 0.879 0.875 0.625 CB 1.213 9 residues pruned to eliminate duplicates Z: 14 10.870 1.796 0.607 0.780 0.846 0.462 CB 0.964 14 residues pruned to eliminate duplicates Z: 6 2.946 1.473 0.142 0.314 0.800 0.400 CA 1.201 Z: 14 8.142 1.655 0.501 0.455 0.769 0.615 CB 1.238 14 residues pruned to eliminate duplicates Z: 9 8.050 1.750 0.576 0.614 0.875 0.875 CB 1.058 Z: 34 10.526 1.705 0.309 0.291 0.909 0.424 CB 1.142 34 residues pruned to eliminate duplicates Z: 6 3.662 1.547 0.191 0.462 1.000 0.600 CB 0.924 Z: 13 8.136 1.621 0.370 0.506 0.917 0.500 CB 1.146 Z: 10 11.082 1.640 0.660 0.751 0.889 0.667 CB 1.220 10 residues pruned to eliminate duplicates Z: 11 12.840 1.580 0.794 0.874 1.000 0.700 CB 1.043 11 residues pruned to eliminate duplicates Z: 16 13.310 1.691 0.615 0.770 0.933 0.733 CB 1.062 14 residues pruned to eliminate duplicates Z: 11 15.357 1.718 0.702 0.901 1.000 1.000 CA 1.185 11 residues pruned to eliminate duplicates Z: 6 11.963 1.790 0.832 0.854 1.000 0.800 CB 1.205 6 residues pruned to eliminate duplicates Z: 9 4.447 1.776 0.109 0.222 0.875 0.375 CB 1.263 9 residues pruned to eliminate duplicates Z: 12 19.359 1.750 0.823 0.842 0.909 0.818 N 1.500 12 residues pruned to eliminate duplicates Z: 8 6.179 1.448 0.482 0.483 1.000 0.286 CA 1.107 8 residues pruned to eliminate duplicates Z: 16 18.716 1.688 0.742 0.880 1.000 0.733 CB 1.191 16 residues pruned to eliminate duplicates Z: 22 11.754 1.690 0.509 0.487 0.762 0.524 N 1.337 22 residues pruned to eliminate duplicates Z: 6 9.099 1.436 0.714 0.832 1.000 1.000 O 1.241 6 residues pruned to eliminate duplicates Z: 15 29.425 1.927 1.007 0.926 1.000 0.643 CB 1.425 15 residues pruned to eliminate duplicates Z: 16 7.998 1.749 0.573 0.315 0.800 0.400 CB 1.151 19 residues pruned to eliminate duplicates 6 1.578 1.353 0.146 0.279 0.800 0.600 CB 0.730 ? Z: 11 10.865 1.764 0.223 0.836 1.000 0.700 CB 1.192 11 residues pruned to eliminate duplicates Z: 6 7.508 1.818 0.164 0.875 1.000 0.800 CB 1.155 6 residues pruned to eliminate duplicates Z: 11 13.667 1.691 0.782 0.560 1.000 0.700 CB 1.352 11 residues pruned to eliminate duplicates Z: 17 22.117 1.846 0.818 0.908 1.000 0.750 CA 1.171 17 residues pruned to eliminate duplicates Z: 11 11.269 1.925 0.721 0.566 0.900 0.800 CA 1.121 13 residues pruned to eliminate duplicates Z: 7 4.936 1.594 0.350 0.495 1.000 0.667 CB 0.940 7 residues pruned to eliminate duplicates Z: 57 28.056 1.959 0.515 0.508 0.893 0.679 CA 1.404 57 residues pruned to eliminate duplicates Z: 13 6.216 1.812 0.328 0.330 0.750 0.500 CB 1.199 13 residues pruned to eliminate duplicates Z: 9 5.741 1.599 0.144 0.605 1.000 0.750 CB 1.004 10 residues pruned to eliminate duplicates Z: 15 25.053 1.899 0.718 0.931 1.000 1.000 CA 1.434 15 residues pruned to eliminate duplicates Z: 13 14.554 1.800 0.621 0.843 0.917 0.833 CB 1.170 13 residues pruned to eliminate duplicates Z: 6 8.108 1.639 0.682 0.697 0.800 0.400 N 1.374 6 residues pruned to eliminate duplicates Z: 21 7.484 1.655 0.467 0.469 0.700 0.450 CB 1.016 21 residues pruned to eliminate duplicates Z: 19 10.007 1.738 0.453 0.331 0.833 0.556 CB 1.348 19 residues pruned to eliminate duplicates Z: 11 14.435 1.699 0.743 0.840 1.000 0.600 CA 1.150 10 residues pruned to eliminate duplicates Z: 10 10.849 1.744 0.326 0.834 1.000 0.778 CB 1.172 10 residues pruned to eliminate duplicates Z: 6 4.271 1.674 -0.053 0.430 1.000 0.600 CB 1.297 Z: 10 7.950 1.477 0.613 0.871 0.889 0.778 CB 0.913 11 residues pruned to eliminate duplicates Z: 6 3.413 1.448 0.229 0.439 1.000 0.600 CB 0.914 Z: 17 25.145 1.767 0.663 0.920 1.000 0.812 CB 1.506 17 residues pruned to eliminate duplicates Z: 14 15.654 1.819 0.724 0.861 1.000 0.692 CB 1.017 14 residues pruned to eliminate duplicates Z: 10 12.407 1.731 0.599 0.863 1.000 0.667 CA 1.096 10 residues pruned to eliminate duplicates Z: 12 22.630 1.863 0.939 0.805 1.000 0.455 CB 1.448 12 residues pruned to eliminate duplicates Z: 16 19.114 1.785 0.837 0.714 1.000 0.333 CB 1.239 16 residues pruned to eliminate duplicates Z: 7 7.564 1.770 0.730 0.512 0.833 0.667 N 1.196 8 residues pruned to eliminate duplicates Z: 12 6.164 1.397 0.415 0.463 0.909 0.364 CB 1.074 10 residues pruned to eliminate duplicates Z: 20 15.249 1.656 0.567 0.638 1.000 0.737 CB 1.185 20 residues pruned to eliminate duplicates Z: 24 18.871 1.960 0.619 0.405 0.913 0.348 CA 1.500 43 residues pruned to eliminate duplicates Z: 6 3.825 1.368 0.636 0.330 1.000 0.400 C 0.921 Z: 27 23.153 1.970 0.698 0.525 0.923 0.615 CB 1.434 27 residues pruned to eliminate duplicates Z: 6 6.832 1.678 0.669 0.636 0.800 0.800 CA 1.200 6 residues pruned to eliminate duplicates Z: 15 22.614 1.714 0.913 0.871 1.000 0.357 N 1.344 15 residues pruned to eliminate duplicates Z: 12 13.846 1.809 0.512 0.864 0.818 0.273 CB 1.368 12 residues pruned to eliminate duplicates Z: 18 21.688 1.908 0.606 0.823 1.000 0.647 CB 1.297 17 residues pruned to eliminate duplicates Z: 6 5.091 1.614 0.783 0.706 0.800 0.400 CB 0.820 6 residues pruned to eliminate duplicates Z: 6 6.835 1.493 0.903 0.822 0.800 0.800 CA 1.018 6 residues pruned to eliminate duplicates Z: 8 3.972 1.059 1.038 0.753 0.857 0.714 CA 0.648 Z: 11 12.806 1.713 0.612 0.767 1.000 0.600 CA 1.157 11 residues pruned to eliminate duplicates Z: 14 9.364 1.577 0.787 0.299 0.923 0.462 CB 1.250 17 residues pruned to eliminate duplicates Z: 13 10.735 1.869 0.653 0.778 0.917 0.500 CB 0.856 13 residues pruned to eliminate duplicates Z: 17 17.922 1.845 0.425 0.796 1.000 0.812 CA 1.316 17 residues pruned to eliminate duplicates Z: 13 11.441 1.655 0.493 0.737 0.833 0.500 CB 1.297 11 residues pruned to eliminate duplicates Z: 6 5.839 1.552 0.207 0.856 1.000 0.800 N 1.029 6 residues pruned to eliminate duplicates Z: 7 5.580 1.597 0.155 0.574 1.000 0.500 CB 1.151 Z: 10 4.001 1.583 -0.016 0.317 0.889 0.333 N 1.180 10 residues pruned to eliminate duplicates Z: 11 5.813 1.459 0.388 0.858 1.000 0.700 CB 0.668 10 residues pruned to eliminate duplicates Z: 6 2.884 1.594 -0.016 0.755 1.000 1.000 CB 0.655 Z: 9 5.774 1.727 0.257 0.747 0.875 0.750 CB 0.862 9 residues pruned to eliminate duplicates Z: 11 10.812 1.835 0.360 0.611 0.900 0.600 CA 1.370 11 residues pruned to eliminate duplicates Z: 42 18.190 1.951 0.401 0.392 0.805 0.634 CA 1.447 42 residues pruned to eliminate duplicates Z: 10 12.199 1.699 0.318 0.873 1.000 0.667 CA 1.323 9 residues pruned to eliminate duplicates Z: 7 2.295 1.374 0.028 0.367 1.000 0.500 CB 0.765 7 residues pruned to eliminate duplicates Z: 8 5.897 1.402 0.424 0.775 0.857 0.714 CB 1.022 Z: 6 2.571 1.033 1.144 0.694 1.000 0.800 CB 0.435 Z: 15 13.400 1.790 0.362 0.889 0.929 0.786 CA 1.138 15 residues pruned to eliminate duplicates Z: 6 3.731 1.400 0.384 0.288 1.000 0.600 O 1.093 Z: 21 18.087 1.833 0.740 0.613 0.850 0.750 CB 1.340 21 residues pruned to eliminate duplicates Z: 7 2.883 1.468 0.589 0.318 0.833 0.500 N 0.740 Z: 18 6.034 1.632 -0.001 0.403 0.882 0.529 CB 1.127 9 residues pruned to eliminate duplicates Z: 6 3.351 1.441 0.829 0.420 0.800 0.400 CB 0.773 6 residues pruned to eliminate duplicates Z: 26 19.506 1.951 0.638 0.504 0.880 0.400 CA 1.383 26 residues pruned to eliminate duplicates Z: 9 17.334 1.891 0.721 0.894 1.000 0.875 CA 1.350 9 residues pruned to eliminate duplicates Z: 17 22.059 1.837 0.709 0.838 1.000 0.625 CA 1.313 17 residues pruned to eliminate duplicates Z: 8 7.521 1.386 0.959 0.707 1.000 0.571 CB 0.867 Z: 10 7.786 1.620 0.607 0.543 1.000 0.778 CB 0.956 7 residues pruned to eliminate duplicates Z: 14 10.712 1.831 0.501 0.484 0.846 0.385 CA 1.298 14 residues pruned to eliminate duplicates Z: 6 3.158 1.128 0.191 0.771 1.000 1.000 CB 0.828 Z: 6 5.274 1.522 0.913 0.831 1.000 0.600 CB 0.609 6 residues pruned to eliminate duplicates Z: 6 5.214 1.804 0.515 0.469 0.800 0.400 CB 1.101 4 residues pruned to eliminate duplicates Z: 9 7.983 1.713 0.160 0.634 1.000 0.625 CA 1.252 Z: 18 12.906 1.768 0.491 0.586 0.882 0.647 CA 1.240 18 residues pruned to eliminate duplicates Z: 9 8.106 1.741 0.716 0.703 0.750 0.250 CB 1.063 9 residues pruned to eliminate duplicates Z: 17 27.802 1.809 0.949 0.909 1.000 0.688 CA 1.400 17 residues pruned to eliminate duplicates Z: 12 4.821 1.666 0.512 0.353 0.727 0.545 CB 0.930 12 residues pruned to eliminate duplicates Z: 7 3.797 1.335 0.384 0.411 1.000 0.833 CB 0.921 Z: 9 3.081 1.372 0.134 0.636 0.875 0.625 CB 0.704 Z: 6 4.000 1.606 0.238 0.513 1.000 0.400 CB 0.888 11 residues pruned to eliminate duplicates Z: 10 3.572 1.452 0.269 0.329 0.667 0.444 N 1.169 9 residues pruned to eliminate duplicates Z: 29 14.059 1.876 0.489 0.321 0.857 0.643 CB 1.351 29 residues pruned to eliminate duplicates Z: 9 6.011 1.663 0.516 0.426 0.875 0.625 CB 1.041 9 residues pruned to eliminate duplicates Z: 29 20.836 1.967 0.708 0.486 0.821 0.643 CA 1.446 31 residues pruned to eliminate duplicates Z: 11 10.772 1.614 0.461 0.767 0.900 0.600 CB 1.267 11 residues pruned to eliminate duplicates Z: 8 4.134 1.422 0.215 0.821 1.000 0.857 CB 0.685 8 residues pruned to eliminate duplicates Z: 7 3.568 1.749 0.031 0.582 0.667 0.500 CB 1.119 7 residues pruned to eliminate duplicates Z: 14 16.107 1.808 0.902 0.870 0.846 0.538 CB 1.120 14 residues pruned to eliminate duplicates Z: 20 12.487 1.753 0.318 0.672 0.895 0.789 CB 1.183 21 residues pruned to eliminate duplicates Z: 6 2.237 1.334 0.625 0.299 0.600 0.600 CB 0.962 Z: 10 14.622 1.738 0.574 0.908 1.000 1.000 CA 1.265 10 residues pruned to eliminate duplicates Z: 14 11.111 1.578 0.444 0.882 1.000 0.692 CB 0.979 14 residues pruned to eliminate duplicates Z: 6 3.739 1.464 0.386 0.663 0.800 0.800 N 0.886 Z: 8 4.428 1.362 0.514 0.668 0.857 0.714 CB 0.811 8 residues pruned to eliminate duplicates Z: 7 3.609 1.747 0.234 0.247 0.833 0.500 CB 1.099 7 residues pruned to eliminate duplicates Z: 6 11.685 1.760 1.152 0.864 1.000 0.800 CB 1.012 9 residues pruned to eliminate duplicates 6 1.746 0.995 0.720 0.688 1.000 0.400 CB 0.384 ? Z: 15 15.261 1.832 0.360 0.933 0.929 0.929 CA 1.230 15 residues pruned to eliminate duplicates Z: 6 2.346 1.496 -0.113 0.329 1.000 0.400 CB 0.954 6 residues pruned to eliminate duplicates Z: 7 4.314 1.482 1.297 0.426 0.667 0.500 N 0.839 Z: 9 5.776 1.499 0.167 0.416 1.000 0.500 CB 1.273 9 residues pruned to eliminate duplicates Z: 11 5.548 1.570 0.321 0.355 1.000 0.700 CB 0.990 8 residues pruned to eliminate duplicates Z: 13 9.762 1.570 0.509 0.773 0.917 0.583 CB 1.019 13 residues pruned to eliminate duplicates Z: 17 8.516 1.879 0.379 0.393 0.750 0.562 CB 1.227 17 residues pruned to eliminate duplicates Z: 11 3.682 1.402 0.715 0.204 0.700 0.400 N 0.983 Z: 25 23.805 1.811 0.799 0.694 0.917 0.708 CA 1.363 30 residues pruned to eliminate duplicates Z: 8 3.109 1.584 0.018 0.462 0.857 0.571 CB 0.884 Z: 12 7.614 1.648 0.545 0.519 0.818 0.636 CB 1.081 12 residues pruned to eliminate duplicates Z: 8 2.493 1.670 -0.023 0.311 0.714 0.286 CB 0.997 7 residues pruned to eliminate duplicates Z: 12 12.731 1.551 0.441 0.908 1.000 0.909 CB 1.219 12 residues pruned to eliminate duplicates 6 1.980 1.294 0.976 0.428 0.600 0.600 CA 0.622 ? Z: 15 15.610 1.994 0.518 0.616 0.929 0.714 CB 1.330 11 residues pruned to eliminate duplicates Z: 6 2.051 1.325 0.200 0.807 1.000 0.800 CB 0.441 Z: 7 5.191 1.500 0.540 0.841 1.000 1.000 CB 0.684 7 residues pruned to eliminate duplicates Z: 8 8.259 1.821 0.411 0.527 1.000 0.714 CB 1.183 9 residues pruned to eliminate duplicates Z: 7 4.727 1.610 0.389 0.265 0.833 0.500 CA 1.353 Z: 13 12.116 1.599 0.595 0.870 1.000 0.833 CB 1.001 13 residues pruned to eliminate duplicates Z: 9 4.140 1.671 0.471 0.345 0.875 0.500 CB 0.805 13 residues pruned to eliminate duplicates Z: 8 5.701 1.722 0.293 0.595 0.857 0.714 CB 1.031 Z: 7 4.384 1.664 0.528 0.247 0.667 0.167 CB 1.414 Z: 14 22.358 1.925 0.847 0.850 0.846 0.769 CA 1.527 14 residues pruned to eliminate duplicates Z: 17 16.622 1.701 0.653 0.796 1.000 0.875 CB 1.140 25 residues pruned to eliminate duplicates Z: 6 2.141 1.537 0.692 0.587 0.600 0.600 CB 0.564 6 residues pruned to eliminate duplicates Z: 16 21.207 1.827 0.960 0.868 0.867 0.800 CB 1.289 16 residues pruned to eliminate duplicates Z: 9 3.499 1.571 0.280 0.332 0.750 0.500 CB 0.987 9 residues pruned to eliminate duplicates Z: 9 6.489 1.776 0.100 0.846 0.875 0.750 CB 0.997 9 residues pruned to eliminate duplicates Z: 16 7.342 1.568 0.568 0.296 0.867 0.333 CB 1.118 16 residues pruned to eliminate duplicates Z: 11 10.382 1.482 0.645 0.772 0.900 0.800 CB 1.176 10 residues pruned to eliminate duplicates 6 1.771 1.248 0.335 0.491 0.800 0.400 CB 0.599 ? Z: 13 7.072 1.448 0.548 0.486 0.917 0.750 CB 1.007 13 residues pruned to eliminate duplicates Z: 16 18.630 1.764 0.593 0.888 1.000 0.867 CA 1.233 16 residues pruned to eliminate duplicates Z: 6 4.323 1.476 0.465 0.554 0.800 0.400 CB 1.060 Z: 17 8.240 1.531 0.400 0.400 0.938 0.812 N 1.139 15 residues pruned to eliminate duplicates Z: 15 18.805 1.892 0.466 0.796 1.000 0.857 CB 1.398 14 residues pruned to eliminate duplicates Z: 8 6.357 1.690 0.479 0.487 1.000 0.571 CB 0.975 5 residues pruned to eliminate duplicates Z: 6 8.436 1.788 0.701 0.399 1.000 0.600 CA 1.381 9 residues pruned to eliminate duplicates Z: 6 2.328 1.420 0.554 0.314 0.600 0.200 CB 0.966 Z: 15 19.012 1.768 0.799 0.890 1.000 0.714 CB 1.149 16 residues pruned to eliminate duplicates Z: 6 7.659 1.769 0.314 0.683 1.000 0.600 N 1.245 Z: 12 5.879 1.543 0.196 0.471 1.000 0.455 CB 0.990 8 residues pruned to eliminate duplicates Z: 11 7.869 1.670 0.209 0.908 1.000 0.900 CB 0.876 11 residues pruned to eliminate duplicates Z: 10 2.164 1.261 0.285 0.166 0.667 0.333 N 1.002 Z: 27 12.886 1.847 0.401 0.323 0.885 0.577 CB 1.341 27 residues pruned to eliminate duplicates Z: 12 5.285 1.489 0.612 0.355 0.818 0.545 CA 0.949 Z: 6 2.160 1.147 0.824 0.458 0.800 0.600 CB 0.602 Z: 6 5.770 1.536 0.607 0.809 1.000 0.600 CB 0.799 Z: 7 6.245 1.343 0.511 0.865 1.000 0.833 CB 0.920 7 residues pruned to eliminate duplicates Z: 16 5.871 1.584 0.365 0.337 0.800 0.533 N 1.047 13 residues pruned to eliminate duplicates 6 1.288 1.456 -0.265 0.379 0.800 0.800 CB 0.765 ? Z: 17 20.606 1.677 0.936 0.901 0.938 0.875 CA 1.208 17 residues pruned to eliminate duplicates Z: 10 3.045 1.481 0.251 0.397 0.889 0.667 CB 0.687 Z: 24 11.225 1.683 0.420 0.421 0.957 0.609 CB 1.111 24 residues pruned to eliminate duplicates Z: 8 6.286 1.642 0.365 0.697 1.000 0.714 CB 0.886 4 residues pruned to eliminate duplicates Z: 12 25.165 1.845 1.230 0.903 0.909 0.455 N 1.445 12 residues pruned to eliminate duplicates Z: 23 13.832 1.764 0.620 0.629 0.818 0.591 CB 1.117 15 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 15 10.956 1.579 0.444 0.649 0.929 0.571 CB 1.204 15 residues pruned to eliminate duplicates 7 1.925 1.480 0.494 0.605 0.667 0.667 CB 0.483 ? Z: 7 3.308 1.536 0.435 0.549 0.667 0.667 CB 0.876 Z: 6 4.506 1.629 0.628 0.668 0.800 0.800 CB 0.813 7 residues pruned to eliminate duplicates Z: 10 15.398 1.697 0.747 0.755 1.000 0.778 CB 1.379 10 residues pruned to eliminate duplicates Z: 11 12.368 1.704 0.525 0.720 0.900 0.700 CA 1.371 11 residues pruned to eliminate duplicates Z: 12 13.463 1.678 0.769 0.633 0.909 0.545 CB 1.328 12 residues pruned to eliminate duplicates Z: 11 12.518 1.694 0.701 0.653 0.900 0.600 CB 1.324 11 residues pruned to eliminate duplicates Z: 11 12.659 1.681 0.593 0.679 1.000 0.700 CB 1.267 11 residues pruned to eliminate duplicates Z: 11 12.684 1.667 0.775 0.664 0.900 0.700 CB 1.294 11 residues pruned to eliminate duplicates Z: 13 11.490 1.673 0.649 0.591 0.833 0.667 CB 1.323 13 residues pruned to eliminate duplicates Z: 17 9.705 1.546 0.580 0.503 0.750 0.500 CB 1.320 17 residues pruned to eliminate duplicates Z: 12 15.078 1.571 0.853 0.897 1.000 0.727 CB 1.117 12 residues pruned to eliminate duplicates Z: 12 16.362 1.559 0.861 0.880 1.000 0.818 CB 1.232 10 residues pruned to eliminate duplicates Z: 7 3.380 1.391 0.509 0.257 0.833 0.500 CB 1.042 7 residues pruned to eliminate duplicates Z: 9 5.829 1.812 0.315 0.550 0.750 0.625 CB 1.098 8 residues pruned to eliminate duplicates Z: 7 5.200 1.413 0.770 0.528 1.000 0.667 CB 0.826 6 residues pruned to eliminate duplicates Z: 7 2.173 1.321 0.428 0.472 0.500 0.500 CB 0.967 7 residues pruned to eliminate duplicates Z: 12 7.163 1.657 0.351 0.399 1.000 0.545 CB 1.074 12 residues pruned to eliminate duplicates Z: 12 7.458 1.702 0.383 0.386 0.909 0.727 CB 1.186 12 residues pruned to eliminate duplicates Z: 10 6.377 1.818 0.166 0.352 0.889 0.556 CB 1.325 10 residues pruned to eliminate duplicates Z: 9 8.044 1.685 0.356 0.528 1.000 0.625 CB 1.211 12 residues pruned to eliminate duplicates Z: 9 8.193 1.643 0.188 0.907 1.000 1.000 CA 1.055 9 residues pruned to eliminate duplicates Z: 12 14.514 1.657 0.656 0.840 1.000 0.818 CA 1.190 11 residues pruned to eliminate duplicates Z: 11 15.805 1.723 0.657 0.909 1.000 0.900 CA 1.243 11 residues pruned to eliminate duplicates Z: 9 14.312 1.669 0.669 0.869 1.000 0.875 CA 1.327 9 residues pruned to eliminate duplicates Z: 9 16.498 1.740 0.932 0.896 1.000 0.875 CA 1.242 9 residues pruned to eliminate duplicates Z: 9 16.959 1.679 1.076 0.892 1.000 1.000 N 1.236 9 residues pruned to eliminate duplicates Z: 10 12.264 1.652 0.763 0.772 1.000 0.667 CA 1.103 10 residues pruned to eliminate duplicates Z: 11 15.937 1.518 1.139 0.789 1.000 0.800 CA 1.204 11 residues pruned to eliminate duplicates Z: 10 17.496 1.692 1.349 0.787 0.889 0.667 N 1.283 10 residues pruned to eliminate duplicates Z: 11 18.519 2.014 0.501 0.824 1.000 0.900 CB 1.464 11 residues pruned to eliminate duplicates Z: 13 12.164 1.813 0.410 0.676 0.917 0.583 CB 1.274 13 residues pruned to eliminate duplicates Z: 11 18.286 2.013 0.377 0.826 1.000 0.900 CB 1.572 11 residues pruned to eliminate duplicates Z: 14 12.441 1.819 0.453 0.667 0.923 0.692 CB 1.213 14 residues pruned to eliminate duplicates Z: 12 15.832 1.921 0.422 0.738 1.000 0.636 CB 1.410 12 residues pruned to eliminate duplicates Z: 12 14.951 1.939 0.476 0.760 0.909 0.818 CB 1.375 12 residues pruned to eliminate duplicates Z: 11 21.172 2.044 0.640 0.802 1.000 0.900 CB 1.535 11 residues pruned to eliminate duplicates Z: 14 14.020 1.790 0.532 0.682 0.923 0.769 CB 1.299 14 residues pruned to eliminate duplicates Z: 13 15.735 1.848 0.548 0.702 1.000 0.750 CB 1.321 13 residues pruned to eliminate duplicates Z: 11 12.674 1.857 0.474 0.785 1.000 0.700 CB 1.139 11 residues pruned to eliminate duplicates Z: 9 12.228 1.874 0.473 0.862 1.000 0.500 CB 1.149 9 residues pruned to eliminate duplicates Z: 9 13.684 1.849 0.677 0.901 1.000 0.875 CB 1.114 9 residues pruned to eliminate duplicates Z: 11 10.329 1.766 0.302 0.814 0.900 0.600 CB 1.202 11 residues pruned to eliminate duplicates Z: 10 14.039 1.878 0.679 0.859 1.000 0.667 CB 1.092 12 residues pruned to eliminate duplicates Z: 10 11.832 1.777 0.436 0.835 1.000 0.889 CB 1.157 10 residues pruned to eliminate duplicates Z: 13 7.796 1.652 0.332 0.632 0.917 0.333 CB 0.986 13 residues pruned to eliminate duplicates Z: 12 11.734 1.810 0.441 0.707 0.909 0.364 CB 1.236 12 residues pruned to eliminate duplicates Z: 11 12.181 1.864 0.498 0.744 0.900 0.400 CB 1.232 11 residues pruned to eliminate duplicates Z: 9 6.556 1.647 0.071 0.527 1.000 0.625 CB 1.279 Z: 6 5.937 1.441 0.826 0.379 1.000 0.600 O 1.148 6 residues pruned to eliminate duplicates Z: 15 6.468 1.711 0.095 0.397 0.786 0.286 CB 1.309 25 residues pruned to eliminate duplicates Z: 7 3.144 1.535 0.153 0.396 0.833 0.333 CA 0.972 7 residues pruned to eliminate duplicates Z: 33 14.506 1.757 0.391 0.615 0.875 0.688 CA 1.076 33 residues pruned to eliminate duplicates Z: 23 16.460 1.872 0.403 0.695 1.000 0.682 CA 1.119 23 residues pruned to eliminate duplicates Z: 20 8.218 1.777 0.105 0.493 0.842 0.632 CA 1.148 20 residues pruned to eliminate duplicates Z: 19 9.408 1.787 0.200 0.495 0.944 0.667 CB 1.100 19 residues pruned to eliminate duplicates Z: 23 11.471 1.794 0.302 0.604 0.864 0.591 CA 1.098 23 residues pruned to eliminate duplicates Z: 18 10.168 1.841 0.396 0.588 0.882 0.588 CA 0.999 18 residues pruned to eliminate duplicates Z: 22 17.487 1.874 0.580 0.708 0.952 0.619 CA 1.120 22 residues pruned to eliminate duplicates Z: 30 18.033 1.761 0.620 0.639 0.828 0.586 CA 1.246 32 residues pruned to eliminate duplicates Z: 17 22.175 1.888 0.685 0.891 1.000 0.625 CA 1.253 17 residues pruned to eliminate duplicates Z: 23 11.678 1.782 0.549 0.515 0.818 0.545 CA 1.086 23 residues pruned to eliminate duplicates Z: 22 11.492 1.818 0.437 0.634 0.810 0.524 CA 1.046 22 residues pruned to eliminate duplicates Z: 22 17.377 1.885 0.605 0.711 0.952 0.714 CA 1.087 22 residues pruned to eliminate duplicates Z: 17 19.993 1.852 0.579 0.792 1.000 0.812 CA 1.323 17 residues pruned to eliminate duplicates Z: 32 18.841 1.768 0.549 0.629 0.903 0.645 CB 1.212 32 residues pruned to eliminate duplicates Z: 31 20.868 1.783 0.749 0.670 0.867 0.633 CB 1.205 31 residues pruned to eliminate duplicates Z: 13 16.635 1.870 0.868 0.825 1.000 0.750 CA 1.038 13 residues pruned to eliminate duplicates Z: 31 22.290 1.823 0.728 0.652 0.867 0.600 CA 1.294 31 residues pruned to eliminate duplicates Z: 34 22.064 1.749 0.700 0.672 0.909 0.515 CB 1.212 34 residues pruned to eliminate duplicates Z: 18 25.278 1.823 0.921 0.918 1.000 0.824 CA 1.235 18 residues pruned to eliminate duplicates Z: 25 22.151 1.861 0.843 0.726 0.875 0.667 CA 1.229 25 residues pruned to eliminate duplicates Z: 27 18.244 1.665 0.709 0.679 0.923 0.500 CA 1.156 27 residues pruned to eliminate duplicates Z: 12 9.729 1.555 0.717 0.619 0.909 0.545 CB 1.080 12 residues pruned to eliminate duplicates Z: 23 12.534 1.706 0.454 0.586 0.864 0.455 CB 1.149 36 residues pruned to eliminate duplicates Z: 63 28.373 1.864 0.670 0.478 0.887 0.581 CB 1.334 49 residues pruned to eliminate duplicates Z: 11 12.107 1.674 0.475 0.717 1.000 0.500 CB 1.274 11 residues pruned to eliminate duplicates Z: 21 18.144 1.761 0.719 0.672 0.850 0.500 CB 1.346 21 residues pruned to eliminate duplicates Z: 10 11.100 1.717 0.530 0.707 1.000 0.333 CA 1.168 10 residues pruned to eliminate duplicates Z: 10 11.927 1.693 0.671 0.750 0.889 0.444 CB 1.265 10 residues pruned to eliminate duplicates Z: 10 15.561 1.784 0.679 0.727 1.000 0.556 CA 1.412 10 residues pruned to eliminate duplicates Z: 8 14.750 1.854 0.672 0.877 1.000 0.714 CA 1.306 8 residues pruned to eliminate duplicates Z: 19 10.021 1.594 0.651 0.449 0.778 0.389 CB 1.216 19 residues pruned to eliminate duplicates Z: 14 12.451 1.527 0.669 0.713 1.000 0.615 CA 1.117 14 residues pruned to eliminate duplicates Z: 6 4.249 1.554 0.734 0.414 1.000 0.600 CA 0.771 Z: 14 8.441 1.557 0.174 0.873 1.000 1.000 CB 0.932 13 residues pruned to eliminate duplicates Z: 6 4.764 1.649 0.222 0.789 1.000 1.000 CB 0.821 7 residues pruned to eliminate duplicates Z: 12 7.988 1.732 0.082 0.882 1.000 1.000 CB 0.931 12 residues pruned to eliminate duplicates Z: 9 5.942 1.697 0.235 0.576 0.875 0.750 CB 1.064 9 residues pruned to eliminate duplicates Z: 14 7.392 1.623 0.157 0.596 0.923 0.692 CB 1.079 14 residues pruned to eliminate duplicates Z: 12 8.836 1.734 0.260 0.819 1.000 0.636 CB 0.925 12 residues pruned to eliminate duplicates Z: 10 9.318 1.765 0.447 0.886 1.000 0.667 CB 0.877 10 residues pruned to eliminate duplicates Z: 12 7.121 1.607 0.325 0.860 1.000 0.818 CB 0.741 12 residues pruned to eliminate duplicates Z: 10 8.894 1.770 0.428 0.908 1.000 0.889 CB 0.833 10 residues pruned to eliminate duplicates Z: 14 7.199 1.622 0.482 0.550 0.923 0.538 CB 0.857 9 residues pruned to eliminate duplicates Z: 9 13.535 1.648 0.503 0.852 1.000 0.625 O 1.428 9 residues pruned to eliminate duplicates Z: 6 12.996 1.795 0.970 0.807 1.000 0.400 CB 1.258 6 residues pruned to eliminate duplicates Z: 8 16.093 1.817 0.786 0.886 1.000 0.571 CB 1.352 8 residues pruned to eliminate duplicates Z: 14 8.214 1.635 0.299 0.536 0.846 0.462 CB 1.224 14 residues pruned to eliminate duplicates Z: 9 12.950 1.619 0.554 0.893 1.000 0.750 CB 1.307 9 residues pruned to eliminate duplicates Z: 13 12.227 1.729 0.521 0.577 0.917 0.500 CB 1.359 13 residues pruned to eliminate duplicates Z: 7 2.530 1.578 0.562 0.433 0.833 0.500 CB 0.539 7 residues pruned to eliminate duplicates Z: 22 7.821 1.531 0.502 0.318 0.857 0.381 CB 1.059 15 residues pruned to eliminate duplicates Z: 9 3.357 1.539 0.254 0.420 0.750 0.500 CB 0.891 Z: 8 3.521 1.546 0.096 0.569 0.857 0.286 CB 0.857 8 residues pruned to eliminate duplicates Z: 8 5.017 1.457 0.242 0.473 1.000 0.286 CB 1.076 Z: 10 8.739 1.555 0.605 0.599 0.889 0.556 CB 1.194 11 residues pruned to eliminate duplicates Z: 13 8.038 1.476 0.610 0.850 1.000 0.583 CB 0.723 13 residues pruned to eliminate duplicates Z: 10 6.148 1.531 0.558 0.611 0.778 0.222 CB 0.994 10 residues pruned to eliminate duplicates Z: 10 6.751 1.519 0.309 0.620 0.889 0.667 N 1.136 10 residues pruned to eliminate duplicates Z: 9 9.720 1.673 0.608 0.865 1.000 0.500 CB 0.936 9 residues pruned to eliminate duplicates Z: 8 9.390 1.738 0.332 0.862 1.000 0.714 CB 1.125 8 residues pruned to eliminate duplicates Z: 7 7.343 1.799 0.149 0.689 1.000 0.667 CA 1.220 7 residues pruned to eliminate duplicates Z: 9 6.404 1.654 0.294 0.798 0.875 0.875 CB 0.931 9 residues pruned to eliminate duplicates Z: 7 7.869 1.776 0.343 0.685 1.000 0.833 CA 1.137 7 residues pruned to eliminate duplicates Z: 13 8.193 1.716 0.480 0.614 0.750 0.583 CB 1.115 13 residues pruned to eliminate duplicates Z: 9 10.014 1.711 0.494 0.833 0.875 0.625 CB 1.187 9 residues pruned to eliminate duplicates Z: 11 8.650 1.621 0.319 0.856 1.000 0.900 CB 0.943 11 residues pruned to eliminate duplicates Z: 16 13.092 1.766 0.636 0.675 0.933 0.533 CB 1.067 17 residues pruned to eliminate duplicates Z: 10 12.439 1.714 0.401 0.863 1.000 0.889 CA 1.266 10 residues pruned to eliminate duplicates Z: 15 8.117 1.676 0.293 0.520 0.929 0.500 CB 1.056 14 residues pruned to eliminate duplicates Z: 9 2.859 1.453 0.120 0.278 0.875 0.250 CB 0.913 9 residues pruned to eliminate duplicates Z: 14 5.126 1.607 0.196 0.484 0.846 0.385 CB 0.888 14 residues pruned to eliminate duplicates Z: 13 4.640 1.606 0.065 0.426 0.833 0.333 CB 1.016 13 residues pruned to eliminate duplicates Z: 10 3.350 1.342 0.377 0.366 0.889 0.667 CB 0.785 9 residues pruned to eliminate duplicates Z: 9 7.311 1.491 0.574 0.772 0.875 0.875 CB 0.990 11 residues pruned to eliminate duplicates Z: 10 6.474 1.474 0.309 0.873 1.000 0.889 CB 0.815 10 residues pruned to eliminate duplicates Z: 12 7.816 1.450 0.236 0.778 1.000 0.455 CB 1.029 11 residues pruned to eliminate duplicates Z: 11 8.215 1.515 0.248 0.785 1.000 0.600 CB 1.069 11 residues pruned to eliminate duplicates Z: 11 9.396 1.492 0.609 0.807 0.900 0.600 CB 1.052 10 residues pruned to eliminate duplicates Z: 10 8.565 1.461 0.473 0.834 1.000 0.778 CB 0.995 10 residues pruned to eliminate duplicates Z: 11 8.264 1.542 0.332 0.889 1.000 0.800 CB 0.916 11 residues pruned to eliminate duplicates Z: 11 10.995 1.502 0.618 0.849 1.000 0.600 CB 1.060 12 residues pruned to eliminate duplicates Z: 11 11.175 1.505 0.628 0.866 1.000 0.800 CB 1.056 11 residues pruned to eliminate duplicates Z: 6 4.433 1.255 0.846 0.462 1.000 0.600 CA 0.889 Z: 13 17.710 1.633 0.690 0.878 1.000 0.583 CB 1.344 13 residues pruned to eliminate duplicates Z: 13 14.358 1.674 0.574 0.808 0.917 0.667 CB 1.311 13 residues pruned to eliminate duplicates Z: 10 10.497 1.800 0.561 0.690 0.889 0.667 CB 1.177 10 residues pruned to eliminate duplicates Z: 13 11.235 1.669 0.543 0.638 1.000 0.750 CB 1.107 13 residues pruned to eliminate duplicates Z: 14 10.523 1.705 0.498 0.653 0.846 0.615 CB 1.170 14 residues pruned to eliminate duplicates Z: 12 11.862 1.761 0.627 0.748 0.818 0.455 CB 1.223 12 residues pruned to eliminate duplicates Z: 13 10.132 1.677 0.579 0.682 0.833 0.583 CB 1.121 13 residues pruned to eliminate duplicates Z: 12 10.290 1.729 0.534 0.667 0.909 0.636 CB 1.103 12 residues pruned to eliminate duplicates Z: 13 11.148 1.610 0.477 0.722 1.000 0.750 CB 1.107 13 residues pruned to eliminate duplicates Z: 17 10.128 1.604 0.431 0.673 0.938 0.625 CB 1.003 17 residues pruned to eliminate duplicates Z: 12 12.294 1.773 0.529 0.707 0.909 0.636 CB 1.246 12 residues pruned to eliminate duplicates Z: 6 7.614 1.846 0.483 0.749 1.000 0.600 CB 0.996 6 residues pruned to eliminate duplicates Z: 8 6.680 1.653 0.603 0.721 0.857 0.571 CB 0.910 8 residues pruned to eliminate duplicates Z: 7 6.526 1.727 0.130 0.729 1.000 0.667 CB 1.111 8 residues pruned to eliminate duplicates Z: 12 8.436 1.584 0.833 0.694 0.909 0.636 CB 0.807 12 residues pruned to eliminate duplicates Z: 12 9.059 1.679 0.546 0.725 1.000 0.545 CB 0.859 12 residues pruned to eliminate duplicates Z: 12 8.587 1.662 0.516 0.663 0.909 0.364 CB 0.972 12 residues pruned to eliminate duplicates Z: 13 9.217 1.690 0.506 0.690 1.000 0.750 CB 0.879 13 residues pruned to eliminate duplicates Z: 10 12.203 1.795 0.586 0.849 1.000 0.889 CB 1.059 10 residues pruned to eliminate duplicates Z: 8 11.352 1.782 0.741 0.872 1.000 1.000 CB 1.008 8 residues pruned to eliminate duplicates Z: 14 7.073 1.672 0.420 0.599 0.846 0.769 CB 0.888 14 residues pruned to eliminate duplicates Z: 21 6.275 1.522 0.355 0.325 0.950 0.400 CB 0.868 13 residues pruned to eliminate duplicates Z: 8 3.157 1.502 0.325 0.302 0.714 0.429 CB 1.047 8 residues pruned to eliminate duplicates Z: 9 5.528 1.773 0.355 0.428 0.875 0.500 CB 1.002 14 residues pruned to eliminate duplicates Z: 6 6.152 1.604 0.464 0.473 0.800 0.800 O 1.505 6 residues pruned to eliminate duplicates Z: 13 7.118 1.558 0.373 0.498 0.917 0.750 CB 1.049 13 residues pruned to eliminate duplicates Z: 8 8.099 1.582 0.686 0.782 1.000 1.000 CB 0.895 8 residues pruned to eliminate duplicates Z: 8 9.708 1.603 0.677 0.795 1.000 0.857 CB 1.054 8 residues pruned to eliminate duplicates Z: 7 8.101 1.629 0.829 0.727 0.833 0.500 CB 1.086 7 residues pruned to eliminate duplicates Z: 19 7.383 1.679 0.413 0.300 0.833 0.444 CB 1.100 12 residues pruned to eliminate duplicates Z: 8 9.644 1.607 0.684 0.801 1.000 0.857 CB 1.035 8 residues pruned to eliminate duplicates Z: 16 5.717 1.672 0.395 0.327 0.733 0.333 CB 1.043 16 residues pruned to eliminate duplicates Z: 21 6.499 1.653 0.358 0.349 0.800 0.450 CB 0.953 21 residues pruned to eliminate duplicates Z: 13 4.818 1.669 0.449 0.179 0.833 0.250 CB 1.017 11 residues pruned to eliminate duplicates Z: 8 4.482 1.364 0.702 0.495 0.714 0.714 O 1.026 Z: 7 3.767 1.506 0.375 0.435 0.833 0.333 CA 0.953 7 residues pruned to eliminate duplicates Z: 15 4.930 1.586 0.360 0.247 0.929 0.429 CB 0.880 15 residues pruned to eliminate duplicates Z: 11 22.125 2.114 0.865 0.769 0.900 0.500 CB 1.553 11 residues pruned to eliminate duplicates Z: 10 17.126 2.167 0.356 0.799 1.000 0.889 CA 1.496 10 residues pruned to eliminate duplicates Z: 10 13.465 2.053 0.424 0.697 0.889 0.778 CB 1.442 10 residues pruned to eliminate duplicates Z: 11 12.796 2.082 0.273 0.657 0.900 0.600 CA 1.466 11 residues pruned to eliminate duplicates Z: 13 13.113 1.873 0.569 0.536 0.833 0.583 CB 1.493 13 residues pruned to eliminate duplicates Z: 12 15.279 2.007 0.517 0.708 0.909 0.727 CA 1.378 12 residues pruned to eliminate duplicates Z: 13 14.651 1.966 0.671 0.619 0.833 0.583 CB 1.380 13 residues pruned to eliminate duplicates Z: 11 19.391 2.170 0.529 0.755 0.900 0.800 CA 1.637 11 residues pruned to eliminate duplicates Z: 13 15.043 2.012 0.554 0.629 0.833 0.583 CB 1.476 13 residues pruned to eliminate duplicates Z: 12 4.587 1.798 0.296 0.306 0.727 0.455 CB 1.013 21 residues pruned to eliminate duplicates Z: 9 4.114 1.430 0.479 0.504 0.875 0.500 CB 0.783 9 residues pruned to eliminate duplicates Z: 9 6.427 1.828 0.425 0.344 0.875 0.125 CB 1.180 9 residues pruned to eliminate duplicates Z: 8 4.559 1.832 0.207 0.447 0.857 0.286 CB 0.960 8 residues pruned to eliminate duplicates Z: 9 4.908 1.795 0.246 0.363 0.875 0.375 CB 1.028 9 residues pruned to eliminate duplicates Z: 13 5.046 1.711 0.037 0.383 0.750 0.500 CA 1.240 13 residues pruned to eliminate duplicates Z: 10 3.446 1.704 0.084 0.421 0.778 0.222 CB 0.869 10 residues pruned to eliminate duplicates Z: 24 17.516 1.816 0.644 0.632 0.870 0.652 CB 1.243 24 residues pruned to eliminate duplicates Z: 18 20.300 1.810 0.555 0.745 1.000 0.765 CB 1.405 17 residues pruned to eliminate duplicates Z: 22 18.736 1.844 0.469 0.748 0.905 0.571 CB 1.337 26 residues pruned to eliminate duplicates Z: 14 16.000 1.775 0.335 0.883 1.000 0.923 CB 1.353 14 residues pruned to eliminate duplicates Z: 25 16.232 1.867 0.484 0.656 0.875 0.583 CB 1.182 25 residues pruned to eliminate duplicates Z: 26 17.842 1.847 0.486 0.625 0.920 0.560 CB 1.256 26 residues pruned to eliminate duplicates Z: 30 16.840 1.766 0.558 0.526 0.897 0.517 CB 1.236 27 residues pruned to eliminate duplicates Z: 15 22.954 1.837 0.783 0.893 1.000 0.786 CA 1.344 15 residues pruned to eliminate duplicates Z: 16 15.297 1.866 0.658 0.746 0.867 0.533 CB 1.183 16 residues pruned to eliminate duplicates Z: 24 15.663 1.869 0.542 0.652 0.826 0.522 CB 1.192 24 residues pruned to eliminate duplicates Z: 19 17.605 1.848 0.692 0.779 0.833 0.667 CB 1.245 19 residues pruned to eliminate duplicates Z: 16 20.495 1.913 0.705 0.804 0.933 0.867 CB 1.333 16 residues pruned to eliminate duplicates Z: 27 14.233 1.745 0.464 0.608 0.808 0.423 CB 1.220 27 residues pruned to eliminate duplicates Z: 11 17.848 1.942 0.953 0.753 0.800 0.800 CB 1.485 11 residues pruned to eliminate duplicates Z: 15 23.017 1.939 0.821 0.791 0.929 0.714 CB 1.453 15 residues pruned to eliminate duplicates Z: 21 21.625 1.932 0.611 0.760 0.900 0.700 CB 1.371 30 residues pruned to eliminate duplicates Z: 6 4.130 1.248 0.629 0.449 1.000 0.600 N 0.957 Z: 8 4.407 1.441 0.348 0.468 1.000 0.714 CB 0.886 8 residues pruned to eliminate duplicates Z: 7 6.079 1.545 0.948 0.365 1.000 0.833 CA 0.953 8 residues pruned to eliminate duplicates Z: 6 6.526 1.524 0.660 0.487 1.000 0.600 CB 1.169 5 residues pruned to eliminate duplicates Z: 8 7.909 1.727 0.293 0.516 1.000 0.429 CA 1.317 8 residues pruned to eliminate duplicates Z: 22 13.570 1.839 0.665 0.509 1.000 0.476 CB 0.958 22 residues pruned to eliminate duplicates Z: 31 22.082 1.976 0.667 0.482 0.833 0.467 CB 1.496 31 residues pruned to eliminate duplicates Z: 19 19.410 1.976 0.717 0.525 1.000 0.611 CB 1.315 19 residues pruned to eliminate duplicates Z: 24 18.036 1.861 0.572 0.614 0.957 0.696 CB 1.206 24 residues pruned to eliminate duplicates Z: 22 14.911 1.864 0.583 0.529 0.952 0.429 CB 1.125 22 residues pruned to eliminate duplicates Z: 20 15.462 1.912 0.565 0.526 1.000 0.579 CB 1.155 20 residues pruned to eliminate duplicates Z: 37 20.994 1.900 0.592 0.413 0.861 0.611 CB 1.470 37 residues pruned to eliminate duplicates Z: 17 13.677 1.907 0.614 0.373 0.875 0.562 CA 1.454 17 residues pruned to eliminate duplicates Z: 15 12.504 2.040 0.408 0.343 0.929 0.500 CA 1.486 15 residues pruned to eliminate duplicates Z: 51 24.580 1.899 0.512 0.499 0.880 0.580 CB 1.377 51 residues pruned to eliminate duplicates Z: 34 22.986 1.977 0.613 0.444 0.909 0.576 CA 1.462 34 residues pruned to eliminate duplicates Z: 66 30.749 1.922 0.609 0.471 0.908 0.492 CB 1.399 82 residues pruned to eliminate duplicates Z: 11 8.581 1.685 0.809 0.689 0.800 0.300 CB 0.936 11 residues pruned to eliminate duplicates Z: 37 14.447 1.806 0.548 0.429 0.806 0.500 CB 1.151 37 residues pruned to eliminate duplicates Z: 53 25.943 1.924 0.568 0.528 0.865 0.635 CB 1.341 53 residues pruned to eliminate duplicates Z: 44 30.886 1.959 0.699 0.566 0.930 0.674 CB 1.428 44 residues pruned to eliminate duplicates Z: 29 20.825 1.960 0.690 0.502 0.893 0.607 CA 1.327 29 residues pruned to eliminate duplicates Z: 41 16.567 1.810 0.444 0.392 0.875 0.475 CB 1.284 41 residues pruned to eliminate duplicates Z: 21 13.834 1.965 0.449 0.488 0.700 0.500 N 1.571 21 residues pruned to eliminate duplicates Z: 54 26.503 1.936 0.503 0.512 0.906 0.623 CB 1.365 54 residues pruned to eliminate duplicates Z: 29 18.661 1.922 0.552 0.437 0.893 0.607 CB 1.412 29 residues pruned to eliminate duplicates Z: 29 20.389 1.966 0.599 0.420 0.929 0.500 CB 1.435 29 residues pruned to eliminate duplicates Z: 16 11.258 1.841 0.472 0.413 0.867 0.600 CB 1.356 16 residues pruned to eliminate duplicates Z: 50 25.980 1.882 0.635 0.490 0.857 0.571 CB 1.422 50 residues pruned to eliminate duplicates Z: 20 12.552 1.760 0.648 0.351 0.947 0.474 CB 1.231 20 residues pruned to eliminate duplicates Z: 41 22.679 1.953 0.644 0.423 0.850 0.600 CB 1.423 44 residues pruned to eliminate duplicates Z: 10 9.344 1.769 0.453 0.653 0.889 0.778 CB 1.183 10 residues pruned to eliminate duplicates Z: 28 14.250 1.875 0.489 0.363 0.889 0.481 CB 1.280 28 residues pruned to eliminate duplicates Z: 41 19.756 1.955 0.532 0.395 0.850 0.600 CB 1.371 41 residues pruned to eliminate duplicates Z: 9 3.418 1.756 0.269 0.296 0.875 0.500 CB 0.779 9 residues pruned to eliminate duplicates Z: 32 17.299 1.803 0.618 0.479 0.871 0.548 CB 1.249 32 residues pruned to eliminate duplicates Z: 18 24.967 1.933 0.794 0.764 0.941 0.706 CB 1.467 18 residues pruned to eliminate duplicates Z: 17 26.284 1.946 0.787 0.844 1.000 0.812 CB 1.406 17 residues pruned to eliminate duplicates Z: 69 31.579 1.916 0.544 0.533 0.882 0.603 CB 1.420 69 residues pruned to eliminate duplicates Z: 54 31.800 1.923 0.600 0.604 0.906 0.679 CB 1.420 54 residues pruned to eliminate duplicates Z: 35 17.039 1.837 0.480 0.491 0.882 0.588 CB 1.229 35 residues pruned to eliminate duplicates Z: 15 28.524 1.986 0.892 0.891 0.929 0.857 CA 1.570 15 residues pruned to eliminate duplicates Z: 23 20.607 1.791 0.678 0.639 0.864 0.500 CA 1.486 23 residues pruned to eliminate duplicates Z: 37 20.571 1.810 0.718 0.447 0.889 0.639 CB 1.310 37 residues pruned to eliminate duplicates Z: 18 25.108 1.925 1.079 0.770 0.941 0.412 CB 1.274 18 residues pruned to eliminate duplicates Z: 20 22.511 1.899 0.715 0.720 1.000 0.579 CB 1.300 20 residues pruned to eliminate duplicates Z: 35 22.281 1.881 0.836 0.549 0.853 0.618 CB 1.236 35 residues pruned to eliminate duplicates Z: 17 26.092 1.916 1.053 0.754 0.938 0.562 CB 1.411 17 residues pruned to eliminate duplicates Z: 39 26.745 1.940 0.677 0.582 0.842 0.632 CB 1.463 39 residues pruned to eliminate duplicates Z: 71 31.883 1.906 0.697 0.455 0.857 0.543 CB 1.440 70 residues pruned to eliminate duplicates Z: 6 4.340 1.494 0.228 0.454 1.000 0.800 CA 1.110 6 residues pruned to eliminate duplicates Z: 23 17.831 1.923 0.526 0.521 0.864 0.636 CB 1.469 23 residues pruned to eliminate duplicates Z: 40 24.845 1.965 0.659 0.476 0.923 0.462 CB 1.354 40 residues pruned to eliminate duplicates Z: 24 19.763 1.907 0.622 0.499 0.913 0.522 CB 1.462 24 residues pruned to eliminate duplicates Z: 31 20.569 1.913 0.449 0.443 0.933 0.567 CB 1.539 31 residues pruned to eliminate duplicates Z: 21 24.085 2.015 0.556 0.613 0.950 0.850 CB 1.623 21 residues pruned to eliminate duplicates Z: 16 12.051 1.959 0.536 0.386 0.867 0.600 CB 1.347 16 residues pruned to eliminate duplicates Z: 25 20.729 1.915 0.652 0.499 0.917 0.583 CB 1.460 25 residues pruned to eliminate duplicates Z: 22 23.675 2.016 0.727 0.537 0.905 0.667 CB 1.582 22 residues pruned to eliminate duplicates Z: 20 22.917 2.037 0.705 0.552 0.947 0.789 CA 1.519 20 residues pruned to eliminate duplicates Z: 21 21.742 2.025 0.577 0.526 1.000 0.750 CA 1.484 21 residues pruned to eliminate duplicates Z: 22 20.205 1.971 0.600 0.521 0.952 0.762 CB 1.438 22 residues pruned to eliminate duplicates Z: 72 33.728 1.901 0.727 0.497 0.859 0.563 CB 1.423 72 residues pruned to eliminate duplicates Z: 11 11.078 1.728 0.853 0.600 0.900 0.700 CA 1.106 11 residues pruned to eliminate duplicates Z: 23 18.825 1.987 0.542 0.489 0.864 0.591 CA 1.533 23 residues pruned to eliminate duplicates Z: 25 19.878 1.922 0.515 0.504 0.917 0.667 CB 1.514 25 residues pruned to eliminate duplicates Z: 19 21.647 2.056 0.610 0.564 0.944 0.611 CA 1.534 19 residues pruned to eliminate duplicates Z: 33 18.461 1.867 0.406 0.567 0.844 0.656 CB 1.380 33 residues pruned to eliminate duplicates Z: 27 16.480 1.738 0.496 0.447 0.962 0.731 CB 1.365 27 residues pruned to eliminate duplicates Z: 37 22.581 1.910 0.517 0.483 0.917 0.639 CA 1.441 37 residues pruned to eliminate duplicates Z: 41 23.430 1.889 0.492 0.559 0.875 0.725 CB 1.419 41 residues pruned to eliminate duplicates Z: 62 25.395 1.862 0.597 0.501 0.869 0.508 CB 1.257 62 residues pruned to eliminate duplicates Z: 28 18.364 1.863 0.384 0.620 0.926 0.704 CA 1.322 28 residues pruned to eliminate duplicates Z: 12 4.882 1.685 0.120 0.381 0.818 0.455 CB 1.082 12 residues pruned to eliminate duplicates Z: 28 18.197 1.840 0.556 0.628 0.852 0.704 CA 1.273 28 residues pruned to eliminate duplicates Z: 19 14.571 1.723 0.555 0.726 0.889 0.778 CB 1.177 19 residues pruned to eliminate duplicates Z: 16 13.820 1.742 0.398 0.851 0.933 0.800 CA 1.162 16 residues pruned to eliminate duplicates Z: 18 11.896 1.611 0.634 0.734 0.882 0.706 CA 1.006 18 residues pruned to eliminate duplicates Z: 10 14.631 1.962 0.568 0.781 1.000 0.778 CB 1.237 10 residues pruned to eliminate duplicates Z: 41 25.323 1.898 0.659 0.536 0.900 0.650 CB 1.364 41 residues pruned to eliminate duplicates Z: 15 23.459 1.842 0.845 0.848 1.000 0.786 CB 1.369 15 residues pruned to eliminate duplicates Z: 16 18.065 1.721 0.855 0.763 0.933 0.600 N 1.239 16 residues pruned to eliminate duplicates Z: 16 20.327 1.800 0.910 0.768 0.933 0.800 CB 1.291 16 residues pruned to eliminate duplicates Z: 16 19.119 1.760 1.073 0.874 0.867 0.667 CB 1.136 16 residues pruned to eliminate duplicates Z: 16 18.447 1.807 0.741 0.706 1.000 0.667 CB 1.256 16 residues pruned to eliminate duplicates Z: 24 16.523 1.778 0.636 0.543 0.913 0.565 CB 1.244 24 residues pruned to eliminate duplicates Z: 24 20.131 1.833 0.687 0.668 0.913 0.609 CB 1.273 24 residues pruned to eliminate duplicates Z: 25 18.386 1.794 0.681 0.653 0.875 0.625 CB 1.233 25 residues pruned to eliminate duplicates Z: 13 7.079 1.753 0.475 0.436 0.750 0.667 CB 1.126 22 residues pruned to eliminate duplicates Z: 9 5.731 1.764 0.339 0.545 0.875 0.625 CA 0.938 9 residues pruned to eliminate duplicates Z: 8 9.337 1.917 0.550 0.657 0.857 0.857 CA 1.198 8 residues pruned to eliminate duplicates Z: 9 9.903 1.856 0.467 0.546 0.875 0.625 CA 1.404 9 residues pruned to eliminate duplicates Z: 39 19.812 1.783 0.517 0.514 0.921 0.553 CB 1.273 39 residues pruned to eliminate duplicates Z: 24 20.733 1.807 0.892 0.675 0.870 0.609 CB 1.238 24 residues pruned to eliminate duplicates Z: 10 7.741 1.839 0.399 0.590 0.778 0.556 CB 1.184 10 residues pruned to eliminate duplicates Z: 13 12.472 1.855 0.563 0.547 0.833 0.583 CA 1.424 13 residues pruned to eliminate duplicates Z: 22 16.965 1.952 0.396 0.582 0.905 0.667 CA 1.388 22 residues pruned to eliminate duplicates Z: 45 21.357 1.872 0.352 0.575 0.886 0.659 CB 1.336 45 residues pruned to eliminate duplicates Z: 32 23.150 1.946 0.491 0.603 0.903 0.581 CB 1.439 32 residues pruned to eliminate duplicates Z: 32 22.256 1.908 0.514 0.608 0.935 0.677 CB 1.335 32 residues pruned to eliminate duplicates Z: 51 28.682 1.864 0.628 0.632 0.920 0.640 CB 1.284 51 residues pruned to eliminate duplicates Z: 32 27.910 1.941 0.649 0.636 0.968 0.677 CA 1.424 32 residues pruned to eliminate duplicates Z: 21 19.322 2.023 0.449 0.689 0.850 0.700 CA 1.459 21 residues pruned to eliminate duplicates Z: 50 24.763 1.861 0.513 0.588 0.878 0.653 CB 1.316 50 residues pruned to eliminate duplicates Z: 35 24.807 1.886 0.583 0.608 0.912 0.647 CB 1.411 35 residues pruned to eliminate duplicates Z: 28 23.722 1.951 0.608 0.646 0.889 0.556 CA 1.429 28 residues pruned to eliminate duplicates Z: 22 26.426 2.053 0.705 0.686 1.000 0.667 CB 1.389 22 residues pruned to eliminate duplicates Z: 32 19.225 1.921 0.413 0.553 0.968 0.710 CB 1.249 32 residues pruned to eliminate duplicates Z: 46 31.968 1.894 0.729 0.698 0.911 0.733 CB 1.334 46 residues pruned to eliminate duplicates Z: 40 21.355 1.816 0.617 0.509 0.872 0.615 CA 1.324 40 residues pruned to eliminate duplicates Z: 47 31.920 1.925 0.718 0.665 0.935 0.696 CB 1.307 47 residues pruned to eliminate duplicates Z: 20 29.105 2.064 1.060 0.708 0.895 0.632 CB 1.453 20 residues pruned to eliminate duplicates Z: 38 28.894 1.936 0.775 0.605 0.919 0.622 CB 1.361 38 residues pruned to eliminate duplicates Z: 23 24.246 2.000 0.779 0.651 0.909 0.682 CB 1.388 23 residues pruned to eliminate duplicates Z: 33 23.652 1.895 0.721 0.593 0.875 0.656 CB 1.340 33 residues pruned to eliminate duplicates Z: 44 25.205 1.944 0.522 0.572 0.930 0.744 CB 1.302 44 residues pruned to eliminate duplicates Z: 24 20.345 1.993 0.697 0.621 0.913 0.652 CB 1.225 24 residues pruned to eliminate duplicates Z: 45 27.225 1.909 0.699 0.568 0.932 0.659 CB 1.271 45 residues pruned to eliminate duplicates Z: 46 22.547 1.911 0.510 0.523 0.867 0.578 CB 1.314 46 residues pruned to eliminate duplicates Z: 48 23.671 1.881 0.534 0.519 0.894 0.681 CB 1.314 48 residues pruned to eliminate duplicates Z: 74 32.882 1.909 0.620 0.594 0.904 0.562 CB 1.258 74 residues pruned to eliminate duplicates Z: 34 23.970 1.960 0.570 0.581 0.939 0.636 CB 1.335 34 residues pruned to eliminate duplicates Z: 40 25.260 1.986 0.543 0.625 0.897 0.590 CB 1.308 40 residues pruned to eliminate duplicates Z: 51 26.025 1.980 0.579 0.538 0.900 0.540 CB 1.261 65 residues pruned to eliminate duplicates Z: 41 26.285 1.970 0.577 0.598 0.925 0.700 CB 1.317 41 residues pruned to eliminate duplicates Z: 50 22.693 1.863 0.585 0.532 0.857 0.510 CB 1.241 50 residues pruned to eliminate duplicates Z: 63 29.581 1.935 0.571 0.521 0.919 0.565 CB 1.317 63 residues pruned to eliminate duplicates Z: 59 30.961 1.885 0.677 0.615 0.914 0.621 CB 1.263 59 residues pruned to eliminate duplicates Z: 66 29.125 1.975 0.632 0.493 0.862 0.569 CB 1.310 66 residues pruned to eliminate duplicates Z: 22 11.803 1.946 0.477 0.446 0.762 0.571 CB 1.243 Z: 7 5.321 1.743 0.515 0.422 1.000 0.667 CB 0.891 7 residues pruned to eliminate duplicates Z: 16 18.438 2.040 0.619 0.520 0.933 0.600 CB 1.514 22 residues pruned to eliminate duplicates Z: 30 17.193 1.849 0.746 0.442 0.793 0.414 CB 1.324 46 residues pruned to eliminate duplicates Z: 21 19.358 2.004 0.780 0.453 0.850 0.400 CB 1.498 Z: 15 19.867 2.107 0.532 0.640 0.929 0.786 CB 1.554 18 residues pruned to eliminate duplicates Z: 11 20.286 2.143 0.582 0.824 0.900 0.800 CB 1.588 11 residues pruned to eliminate duplicates Z: 19 14.488 1.993 0.536 0.427 0.889 0.500 CB 1.354 19 residues pruned to eliminate duplicates Z: 11 20.703 2.095 0.646 0.669 1.000 0.800 CB 1.624 11 residues pruned to eliminate duplicates Z: 20 14.688 2.009 0.643 0.434 0.842 0.579 CB 1.298 20 residues pruned to eliminate duplicates Z: 10 16.603 2.067 0.253 0.850 1.000 0.778 CB 1.584 10 residues pruned to eliminate duplicates Z: 26 14.432 1.968 0.656 0.384 0.800 0.480 CB 1.253 26 residues pruned to eliminate duplicates Z: 19 18.882 2.092 0.633 0.469 0.833 0.611 CB 1.613 19 residues pruned to eliminate duplicates Z: 13 16.858 1.837 0.559 0.772 1.000 0.500 N 1.335 13 residues pruned to eliminate duplicates Z: 112 37.504 1.918 0.612 0.497 0.892 0.568 CB 1.295 130 residues pruned to eliminate duplicates Z: 71 21.786 1.943 0.397 0.415 0.814 0.457 CB 1.288 71 residues pruned to eliminate duplicates Z: 24 10.631 1.909 0.379 0.236 0.870 0.435 CB 1.316 19 residues pruned to eliminate duplicates Z: 6 3.618 1.597 0.761 0.331 0.800 0.600 CA 0.866 6 residues pruned to eliminate duplicates Z: 32 16.265 2.013 0.321 0.358 0.903 0.613 CA 1.418 22 residues pruned to eliminate duplicates 6 1.963 1.259 0.780 0.287 0.800 0.400 CA 0.622 ? Z: 6 4.174 1.517 0.523 0.287 1.000 0.200 CA 1.026 6 residues pruned to eliminate duplicates Z: 31 12.298 1.949 0.359 0.286 0.733 0.400 CB 1.470 31 residues pruned to eliminate duplicates Z: 13 8.724 1.904 0.507 0.417 0.833 0.417 CB 1.148 13 residues pruned to eliminate duplicates Z: 62 22.863 1.959 0.493 0.461 0.836 0.541 CB 1.245 62 residues pruned to eliminate duplicates Z: 17 10.423 1.919 0.358 0.424 0.875 0.438 CA 1.237 17 residues pruned to eliminate duplicates Z: 18 8.300 1.851 0.210 0.297 0.882 0.471 CB 1.277 18 residues pruned to eliminate duplicates Z: 15 7.180 1.663 0.431 0.294 0.929 0.500 CB 1.093 9 residues pruned to eliminate duplicates Z: 6 2.233 1.514 0.263 0.212 1.000 0.400 CB 0.734 6 residues pruned to eliminate duplicates Z: 15 7.428 1.624 0.445 0.313 1.000 0.643 CA 1.041 15 residues pruned to eliminate duplicates Z: 18 5.917 1.506 0.631 0.259 0.824 0.471 CA 0.934 18 residues pruned to eliminate duplicates Z: 14 7.945 1.629 0.490 0.311 0.923 0.615 CA 1.213 14 residues pruned to eliminate duplicates Z: 11 6.156 1.570 0.711 0.434 0.700 0.500 CA 1.108 11 residues pruned to eliminate duplicates Z: 12 7.484 1.587 0.649 0.341 0.818 0.455 CA 1.253 12 residues pruned to eliminate duplicates Z: 10 7.517 1.702 0.538 0.397 0.889 0.556 CA 1.201 10 residues pruned to eliminate duplicates Z: 17 9.115 1.603 0.504 0.365 0.875 0.500 CA 1.249 15 residues pruned to eliminate duplicates Z: 7 3.121 1.211 0.514 0.583 0.833 0.000 N 0.770 7 residues pruned to eliminate duplicates Z: 18 7.736 1.624 0.319 0.327 0.824 0.412 CA 1.285 18 residues pruned to eliminate duplicates Z: 12 7.595 1.522 0.381 0.599 0.909 0.545 CB 1.091 11 residues pruned to eliminate duplicates Z: 7 8.992 1.827 0.182 0.659 1.000 0.500 N 1.467 7 residues pruned to eliminate duplicates Z: 12 6.236 1.739 0.320 0.361 0.818 0.364 CB 1.162 12 residues pruned to eliminate duplicates Z: 15 6.884 1.684 0.199 0.263 0.929 0.214 CB 1.286 15 residues pruned to eliminate duplicates Z: 15 7.846 1.633 0.376 0.333 0.929 0.429 N 1.207 15 residues pruned to eliminate duplicates Z: 15 7.405 1.698 0.369 0.288 0.857 0.357 CB 1.261 15 residues pruned to eliminate duplicates Z: 16 8.749 1.759 0.365 0.301 0.867 0.467 CB 1.356 15 residues pruned to eliminate duplicates Z: 10 11.228 1.729 0.233 0.728 1.000 0.778 CB 1.430 10 residues pruned to eliminate duplicates Z: 12 8.038 1.786 0.156 0.499 0.909 0.455 CB 1.293 12 residues pruned to eliminate duplicates Z: 35 10.263 1.708 0.239 0.341 0.853 0.353 CB 1.159 35 residues pruned to eliminate duplicates Z: 19 7.672 1.699 0.203 0.419 0.889 0.444 CB 1.083 19 residues pruned to eliminate duplicates Z: 9 5.698 1.789 0.392 0.424 0.750 0.375 CB 1.168 9 residues pruned to eliminate duplicates Z: 21 7.243 1.704 0.092 0.415 0.950 0.450 CB 1.001 21 residues pruned to eliminate duplicates Z: 23 7.039 1.699 0.166 0.348 0.818 0.500 CB 1.092 23 residues pruned to eliminate duplicates Z: 13 8.616 1.733 0.187 0.509 0.917 0.417 CB 1.307 13 residues pruned to eliminate duplicates Z: 17 8.041 1.581 0.165 0.498 0.812 0.188 N 1.345 17 residues pruned to eliminate duplicates Z: 20 8.638 1.700 0.264 0.408 0.842 0.474 CB 1.207 20 residues pruned to eliminate duplicates Z: 17 8.142 1.714 0.226 0.417 0.812 0.500 CB 1.301 17 residues pruned to eliminate duplicates Z: 16 9.307 1.672 0.411 0.434 0.867 0.533 CB 1.258 16 residues pruned to eliminate duplicates Z: 10 5.018 1.682 0.358 0.223 1.000 0.556 CB 1.014 10 residues pruned to eliminate duplicates Z: 11 6.153 1.592 0.459 0.296 0.900 0.700 CB 1.170 10 residues pruned to eliminate duplicates Z: 8 4.795 1.675 0.312 0.615 0.714 0.429 N 1.036 8 residues pruned to eliminate duplicates Z: 9 4.573 1.672 0.482 0.630 0.625 0.250 CB 0.923 9 residues pruned to eliminate duplicates Z: 8 4.591 1.732 0.438 0.624 0.714 0.000 CB 0.867 8 residues pruned to eliminate duplicates Z: 8 4.447 1.742 0.477 0.563 0.714 0.000 CB 0.860 8 residues pruned to eliminate duplicates Z: 7 6.426 1.842 0.487 0.736 0.667 0.167 CB 1.163 8 residues pruned to eliminate duplicates Z: 7 5.725 1.814 0.480 0.697 0.667 0.167 CB 1.091 7 residues pruned to eliminate duplicates 6 1.166 1.261 0.084 0.207 0.600 0.600 CA 0.900 ? Z: 10 9.903 1.660 0.762 0.622 0.889 0.556 CB 1.132 10 residues pruned to eliminate duplicates Z: 38 20.409 1.938 0.471 0.423 0.919 0.541 CA 1.388 38 residues pruned to eliminate duplicates Z: 33 14.628 1.921 0.397 0.357 0.812 0.562 CA 1.384 33 residues pruned to eliminate duplicates Z: 36 16.526 1.915 0.379 0.362 0.857 0.486 CB 1.431 36 residues pruned to eliminate duplicates Z: 23 14.602 1.838 0.338 0.441 0.909 0.591 CA 1.480 23 residues pruned to eliminate duplicates Z: 35 17.259 1.952 0.409 0.406 0.824 0.676 CB 1.443 35 residues pruned to eliminate duplicates Z: 32 17.456 1.981 0.438 0.388 0.871 0.581 CB 1.423 32 residues pruned to eliminate duplicates Z: 31 17.595 1.896 0.577 0.404 0.833 0.500 CB 1.426 31 residues pruned to eliminate duplicates Z: 37 16.346 1.895 0.483 0.337 0.806 0.528 CB 1.436 37 residues pruned to eliminate duplicates Z: 29 13.545 1.866 0.486 0.339 0.786 0.536 CB 1.399 29 residues pruned to eliminate duplicates Z: 26 20.035 2.046 0.473 0.446 0.960 0.760 CB 1.463 26 residues pruned to eliminate duplicates Z: 26 19.842 2.017 0.556 0.403 0.920 0.560 CB 1.521 26 residues pruned to eliminate duplicates Z: 33 15.555 1.961 0.405 0.349 0.781 0.562 CB 1.505 33 residues pruned to eliminate duplicates Z: 31 18.305 2.011 0.507 0.403 0.867 0.533 CB 1.409 31 residues pruned to eliminate duplicates Z: 34 18.907 2.012 0.424 0.453 0.818 0.727 CA 1.474 34 residues pruned to eliminate duplicates Z: 55 26.018 1.992 0.420 0.513 0.907 0.648 CB 1.363 55 residues pruned to eliminate duplicates Z: 37 15.393 1.942 0.344 0.398 0.806 0.583 CB 1.359 37 residues pruned to eliminate duplicates Z: 21 10.594 1.931 0.298 0.376 0.900 0.550 CB 1.198 21 residues pruned to eliminate duplicates Z: 48 21.295 1.949 0.498 0.405 0.830 0.596 CA 1.417 48 residues pruned to eliminate duplicates Z: 32 15.878 1.991 0.338 0.341 0.871 0.548 CB 1.462 32 residues pruned to eliminate duplicates Z: 19 21.322 1.997 0.616 0.615 0.944 0.667 CB 1.480 19 residues pruned to eliminate duplicates Z: 48 22.735 1.917 0.529 0.451 0.872 0.638 CB 1.364 48 residues pruned to eliminate duplicates Z: 41 21.380 1.917 0.598 0.435 0.850 0.575 CB 1.389 41 residues pruned to eliminate duplicates Z: 16 24.418 1.867 1.078 0.752 0.933 0.867 CA 1.391 16 residues pruned to eliminate duplicates Z: 15 28.210 1.920 1.036 0.829 0.929 0.929 CA 1.563 15 residues pruned to eliminate duplicates Z: 38 22.441 1.918 0.560 0.419 0.919 0.541 CB 1.460 38 residues pruned to eliminate duplicates Z: 51 25.420 1.984 0.607 0.481 0.820 0.660 CB 1.401 51 residues pruned to eliminate duplicates Z: 21 23.604 1.914 0.783 0.578 0.950 0.750 CA 1.511 21 residues pruned to eliminate duplicates Z: 41 27.603 2.000 0.590 0.517 0.900 0.650 CB 1.499 41 residues pruned to eliminate duplicates Z: 32 28.203 1.936 0.782 0.653 0.903 0.774 CB 1.410 32 residues pruned to eliminate duplicates Z: 44 19.328 1.919 0.543 0.371 0.814 0.535 CA 1.405 44 residues pruned to eliminate duplicates Z: 16 22.804 1.807 0.988 0.755 0.867 0.600 CA 1.507 16 residues pruned to eliminate duplicates Z: 54 24.684 1.922 0.549 0.480 0.868 0.642 CB 1.339 54 residues pruned to eliminate duplicates Z: 37 26.902 2.000 0.638 0.563 0.917 0.639 CB 1.404 37 residues pruned to eliminate duplicates Z: 62 33.437 1.974 0.566 0.555 0.918 0.721 CB 1.429 62 residues pruned to eliminate duplicates Z: 58 35.596 1.957 0.708 0.575 0.930 0.632 CB 1.411 58 residues pruned to eliminate duplicates Z: 19 12.687 1.931 0.294 0.592 0.889 0.611 CA 1.233 19 residues pruned to eliminate duplicates Z: 17 16.660 2.068 0.563 0.537 0.938 0.688 CA 1.325 17 residues pruned to eliminate duplicates Z: 18 15.177 2.002 0.485 0.611 0.882 0.765 CA 1.263 18 residues pruned to eliminate duplicates Z: 32 33.404 1.996 0.785 0.682 0.968 0.774 CA 1.473 32 residues pruned to eliminate duplicates Z: 17 15.031 2.083 0.460 0.483 0.938 0.625 CB 1.342 17 residues pruned to eliminate duplicates Z: 19 16.000 1.933 0.566 0.546 0.944 0.722 CA 1.261 19 residues pruned to eliminate duplicates Z: 32 30.219 2.047 0.745 0.615 0.935 0.742 CB 1.457 32 residues pruned to eliminate duplicates Z: 18 16.259 2.012 0.581 0.480 0.941 0.647 CB 1.344 18 residues pruned to eliminate duplicates Z: 18 14.436 1.970 0.554 0.468 0.882 0.647 CA 1.338 18 residues pruned to eliminate duplicates Z: 21 15.227 1.870 0.703 0.533 0.900 0.700 CB 1.150 21 residues pruned to eliminate duplicates Z: 18 15.327 1.965 0.513 0.522 0.941 0.647 CA 1.300 18 residues pruned to eliminate duplicates Z: 20 15.599 1.910 0.649 0.415 0.947 0.632 CA 1.311 20 residues pruned to eliminate duplicates Z: 56 33.799 1.996 0.685 0.534 0.927 0.636 CB 1.413 57 residues pruned to eliminate duplicates Z: 9 17.856 1.963 0.743 0.867 1.000 1.000 CA 1.349 8 residues pruned to eliminate duplicates Z: 9 17.658 1.932 0.730 0.865 1.000 0.875 CA 1.368 9 residues pruned to eliminate duplicates Z: 37 18.154 1.829 0.401 0.514 0.917 0.556 CB 1.270 42 residues pruned to eliminate duplicates Z: 6 6.822 1.709 0.817 0.503 0.800 0.400 CA 1.225 6 residues pruned to eliminate duplicates Z: 17 9.935 1.739 0.680 0.362 0.875 0.562 CB 1.127 17 residues pruned to eliminate duplicates Z: 18 17.945 1.950 0.439 0.754 1.000 0.706 CA 1.237 18 residues pruned to eliminate duplicates Z: 23 20.607 1.927 0.621 0.644 0.909 0.636 CB 1.352 23 residues pruned to eliminate duplicates Z: 42 22.907 1.873 0.595 0.510 0.902 0.634 CB 1.313 41 residues pruned to eliminate duplicates Z: 18 18.050 1.883 0.393 0.865 0.941 0.706 CA 1.299 18 residues pruned to eliminate duplicates Z: 27 20.203 1.899 0.553 0.609 0.923 0.692 CB 1.312 27 residues pruned to eliminate duplicates Z: 24 19.905 1.914 0.563 0.655 0.870 0.652 CA 1.382 24 residues pruned to eliminate duplicates Z: 25 19.935 1.807 0.665 0.642 0.917 0.625 CB 1.292 25 residues pruned to eliminate duplicates Z: 39 20.416 1.866 0.565 0.523 0.895 0.658 CB 1.239 39 residues pruned to eliminate duplicates Z: 20 17.361 1.964 0.447 0.679 0.895 0.684 CB 1.329 20 residues pruned to eliminate duplicates Z: 27 19.149 1.895 0.452 0.580 1.000 0.615 CB 1.264 27 residues pruned to eliminate duplicates Z: 31 23.524 1.917 0.493 0.660 1.000 0.733 CB 1.293 31 residues pruned to eliminate duplicates Z: 28 19.753 1.888 0.592 0.550 0.926 0.630 CB 1.301 28 residues pruned to eliminate duplicates Z: 23 22.696 1.968 0.612 0.671 0.955 0.545 CB 1.364 23 residues pruned to eliminate duplicates Z: 24 19.627 1.948 0.518 0.656 0.957 0.652 CB 1.252 24 residues pruned to eliminate duplicates Z: 29 15.862 1.882 0.547 0.489 0.821 0.571 CB 1.268 29 residues pruned to eliminate duplicates Z: 27 21.233 1.912 0.491 0.587 0.962 0.731 CB 1.397 28 residues pruned to eliminate duplicates Z: 6 2.137 1.411 0.054 0.427 0.800 0.400 N 0.867 6 residues pruned to eliminate duplicates Z: 43 24.151 1.828 0.728 0.488 0.929 0.643 CB 1.286 42 residues pruned to eliminate duplicates Z: 6 4.388 1.564 0.944 0.327 0.800 0.400 CA 0.976 6 residues pruned to eliminate duplicates Z: 14 6.946 1.804 0.531 0.359 0.769 0.538 CB 1.055 14 residues pruned to eliminate duplicates Z: 37 22.062 1.860 0.647 0.568 0.972 0.667 CB 1.156 38 residues pruned to eliminate duplicates Z: 6 7.039 1.946 0.880 0.437 0.800 0.400 CA 1.148 7 residues pruned to eliminate duplicates Z: 6 3.757 1.533 0.812 0.340 0.800 0.200 CA 0.900 6 residues pruned to eliminate duplicates Z: 7 8.346 1.906 1.052 0.425 0.833 0.667 CB 1.130 7 residues pruned to eliminate duplicates Z: 7 6.485 1.826 0.767 0.461 1.000 0.667 CA 0.854 6 residues pruned to eliminate duplicates Z: 16 19.902 1.819 0.733 0.891 0.933 0.733 CA 1.256 16 residues pruned to eliminate duplicates Z: 14 21.107 1.879 0.855 0.743 1.000 0.769 CA 1.351 14 residues pruned to eliminate duplicates Z: 16 16.570 1.838 0.698 0.798 0.800 0.667 CA 1.320 16 residues pruned to eliminate duplicates Z: 19 19.547 1.763 0.959 0.589 0.833 0.444 CB 1.470 19 residues pruned to eliminate duplicates Z: 35 18.536 1.743 0.512 0.537 0.882 0.529 CB 1.319 58 residues pruned to eliminate duplicates Z: 17 28.365 1.825 0.893 0.914 1.000 0.750 CA 1.451 17 residues pruned to eliminate duplicates Z: 18 19.216 1.791 0.778 0.654 0.882 0.647 CA 1.438 18 residues pruned to eliminate duplicates Z: 14 23.308 1.828 1.102 0.794 1.000 0.538 CA 1.300 14 residues pruned to eliminate duplicates Z: 26 23.361 1.856 0.573 0.702 0.960 0.640 CA 1.387 44 residues pruned to eliminate duplicates Z: 16 14.047 1.708 0.706 0.852 0.733 0.267 CB 1.256 16 residues pruned to eliminate duplicates Z: 27 24.169 1.829 0.689 0.678 0.923 0.615 N 1.411 27 residues pruned to eliminate duplicates Z: 20 12.513 1.753 0.304 0.462 0.895 0.632 CA 1.458 20 residues pruned to eliminate duplicates Z: 27 20.339 1.795 0.619 0.633 0.846 0.423 N 1.431 27 residues pruned to eliminate duplicates Z: 25 26.011 1.878 0.679 0.685 0.958 0.708 CA 1.483 25 residues pruned to eliminate duplicates Z: 26 23.911 1.863 0.645 0.698 0.960 0.640 CA 1.357 26 residues pruned to eliminate duplicates Z: 21 16.107 1.792 0.519 0.573 0.850 0.600 N 1.450 21 residues pruned to eliminate duplicates Z: 15 11.243 1.710 0.446 0.506 0.929 0.643 N 1.301 15 residues pruned to eliminate duplicates Z: 42 36.674 1.918 0.742 0.721 0.951 0.634 CB 1.476 58 residues pruned to eliminate duplicates Z: 6 3.948 1.388 0.606 0.402 0.800 0.600 C 1.098 6 residues pruned to eliminate duplicates Z: 43 31.234 1.867 0.793 0.648 0.905 0.476 CB 1.386 43 residues pruned to eliminate duplicates Z: 13 6.787 1.661 0.265 0.405 0.833 0.667 CA 1.235 13 residues pruned to eliminate duplicates Z: 27 18.742 1.881 0.545 0.539 0.962 0.577 CB 1.266 27 residues pruned to eliminate duplicates Z: 27 15.762 1.857 0.506 0.471 0.885 0.538 CB 1.287 27 residues pruned to eliminate duplicates Z: 28 14.779 1.778 0.286 0.551 0.889 0.481 CB 1.331 28 residues pruned to eliminate duplicates Z: 27 14.100 1.779 0.507 0.448 0.846 0.615 CB 1.285 27 residues pruned to eliminate duplicates Z: 24 14.662 1.845 0.533 0.504 0.870 0.565 CB 1.238 24 residues pruned to eliminate duplicates Z: 20 16.057 1.889 0.457 0.570 0.947 0.526 CB 1.320 20 residues pruned to eliminate duplicates Z: 23 16.939 1.890 0.577 0.502 0.909 0.591 CB 1.330 23 residues pruned to eliminate duplicates Z: 22 16.007 1.880 0.597 0.555 0.857 0.714 CB 1.287 22 residues pruned to eliminate duplicates Z: 24 15.535 1.842 0.564 0.494 0.870 0.609 CB 1.300 24 residues pruned to eliminate duplicates Z: 20 20.376 1.974 0.677 0.579 0.947 0.474 CB 1.381 20 residues pruned to eliminate duplicates Z: 22 19.025 1.897 0.612 0.597 0.905 0.619 CB 1.368 22 residues pruned to eliminate duplicates Z: 19 22.794 1.934 0.637 0.706 1.000 0.722 CB 1.407 19 residues pruned to eliminate duplicates Z: 21 19.847 1.906 0.725 0.645 0.950 0.650 CB 1.240 21 residues pruned to eliminate duplicates Z: 27 15.739 1.779 0.461 0.466 0.962 0.615 CB 1.279 27 residues pruned to eliminate duplicates Z: 41 23.506 1.875 0.587 0.513 0.825 0.500 CB 1.495 41 residues pruned to eliminate duplicates Z: 22 13.297 1.807 0.435 0.545 0.857 0.762 CB 1.250 22 residues pruned to eliminate duplicates Z: 12 9.965 1.762 0.325 0.683 1.000 0.545 CB 1.088 12 residues pruned to eliminate duplicates Z: 26 16.432 1.759 0.543 0.465 0.920 0.480 CB 1.364 26 residues pruned to eliminate duplicates Z: 22 15.813 1.894 0.585 0.559 0.857 0.524 CB 1.266 22 residues pruned to eliminate duplicates Z: 41 21.426 1.899 0.573 0.482 0.875 0.475 CB 1.320 21 residues pruned to eliminate duplicates Z: 6 2.355 1.367 0.356 0.364 0.800 0.600 N 0.822 6 residues pruned to eliminate duplicates Z: 16 11.669 1.916 0.477 0.360 0.867 0.467 CA 1.429 16 residues pruned to eliminate duplicates Z: 6 4.622 1.628 0.628 0.482 0.800 0.800 CA 0.993 6 residues pruned to eliminate duplicates Z: 17 10.032 1.736 0.402 0.434 0.875 0.688 CB 1.261 17 residues pruned to eliminate duplicates Z: 25 15.800 1.744 0.665 0.481 0.875 0.583 CB 1.294 25 residues pruned to eliminate duplicates Z: 13 11.165 1.768 0.390 0.422 1.000 0.750 CB 1.423 13 residues pruned to eliminate duplicates Z: 22 12.152 1.799 0.648 0.389 0.857 0.667 CB 1.174 22 residues pruned to eliminate duplicates Z: 34 24.096 1.883 0.595 0.545 0.970 0.636 CB 1.378 34 residues pruned to eliminate duplicates Z: 9 14.213 1.988 0.553 0.602 1.000 0.750 CA 1.476 9 residues pruned to eliminate duplicates Z: 20 11.854 1.818 0.383 0.460 0.842 0.579 CB 1.338 20 residues pruned to eliminate duplicates Z: 18 6.606 1.900 0.529 0.229 0.765 0.412 CB 0.990 18 residues pruned to eliminate duplicates Z: 19 7.947 1.821 0.562 0.263 0.722 0.556 CB 1.195 19 residues pruned to eliminate duplicates Z: 20 12.562 1.809 0.633 0.473 0.842 0.474 CB 1.190 19 residues pruned to eliminate duplicates Z: 6 10.184 1.753 0.888 0.619 1.000 0.600 CB 1.230 6 residues pruned to eliminate duplicates Z: 15 7.616 2.019 0.354 0.276 0.714 0.429 CB 1.342 16 residues pruned to eliminate duplicates Z: 6 4.419 1.278 0.883 0.345 1.000 0.600 CA 0.972 Z: 6 3.641 1.429 1.071 0.165 1.000 0.600 CB 0.828 Z: 6 3.574 1.626 -0.093 0.337 1.000 0.800 CB 1.295 Z: 6 3.054 1.522 0.043 0.366 0.800 0.600 CA 1.242 6 residues pruned to eliminate duplicates Z: 30 14.403 1.833 0.664 0.265 0.862 0.517 CB 1.331 12 residues pruned to eliminate duplicates Z: 8 6.787 1.766 0.428 0.365 1.000 0.714 CB 1.176 8 residues pruned to eliminate duplicates Z: 20 12.350 1.895 0.480 0.261 0.895 0.526 CB 1.484 25 residues pruned to eliminate duplicates Z: 7 4.862 1.867 0.289 0.530 0.667 0.500 CB 1.201 7 residues pruned to eliminate duplicates Z: 27 13.774 1.898 0.435 0.306 0.885 0.385 CB 1.392 27 residues pruned to eliminate duplicates Z: 6 4.063 1.676 0.266 0.465 0.800 0.600 CB 1.109 6 residues pruned to eliminate duplicates Z: 36 14.965 1.848 0.436 0.268 0.857 0.429 CB 1.448 49 residues pruned to eliminate duplicates Z: 6 5.120 1.881 0.228 0.381 0.800 0.800 CB 1.408 6 residues pruned to eliminate duplicates Z: 34 13.300 1.748 0.408 0.498 0.818 0.576 CB 1.153 30 residues pruned to eliminate duplicates Z: 12 16.434 1.875 0.399 0.879 1.000 0.727 CA 1.370 12 residues pruned to eliminate duplicates Z: 18 13.782 1.809 0.571 0.575 0.882 0.529 CB 1.240 18 residues pruned to eliminate duplicates Z: 19 17.907 1.924 0.503 0.761 0.944 0.722 CB 1.225 23 residues pruned to eliminate duplicates Z: 14 13.347 1.795 0.428 0.819 0.923 0.615 CB 1.186 14 residues pruned to eliminate duplicates Z: 12 5.549 1.507 0.654 0.288 0.818 0.364 CB 1.041 12 residues pruned to eliminate duplicates Z: 16 14.285 1.761 0.602 0.655 0.867 0.667 CB 1.306 16 residues pruned to eliminate duplicates Z: 28 14.285 1.888 0.444 0.577 0.852 0.556 CB 1.099 28 residues pruned to eliminate duplicates Z: 15 11.914 1.728 0.544 0.702 0.857 0.643 CB 1.158 15 residues pruned to eliminate duplicates Z: 31 13.968 1.866 0.454 0.554 0.800 0.567 CB 1.115 31 residues pruned to eliminate duplicates Z: 50 20.031 1.893 0.416 0.479 0.878 0.531 CB 1.243 50 residues pruned to eliminate duplicates Z: 13 18.404 1.924 0.893 0.765 0.917 0.500 CB 1.257 13 residues pruned to eliminate duplicates Z: 15 16.727 1.925 0.777 0.728 0.929 0.571 CB 1.146 15 residues pruned to eliminate duplicates Z: 38 17.606 1.858 0.622 0.477 0.811 0.568 CB 1.212 38 residues pruned to eliminate duplicates Z: 11 7.561 1.939 0.402 0.654 0.800 0.500 CB 0.953 11 residues pruned to eliminate duplicates Z: 10 5.308 1.931 0.047 0.318 0.778 0.556 CB 1.376 10 residues pruned to eliminate duplicates Z: 7 2.686 1.930 -0.151 0.485 0.667 0.667 CB 1.018 7 residues pruned to eliminate duplicates Z: 12 5.119 1.767 0.051 0.268 0.909 0.545 N 1.190 12 residues pruned to eliminate duplicates Z: 15 5.928 1.751 0.035 0.315 0.857 0.286 N 1.252 15 residues pruned to eliminate duplicates Z: 11 5.555 1.805 0.028 0.400 0.800 0.300 N 1.315 11 residues pruned to eliminate duplicates Z: 15 5.942 1.781 0.282 0.341 0.714 0.357 CB 1.157 15 residues pruned to eliminate duplicates Z: 9 2.468 1.761 0.103 0.310 0.750 0.625 CB 0.739 9 residues pruned to eliminate duplicates Z: 12 5.403 1.907 0.341 0.358 0.818 0.545 CB 0.908 12 residues pruned to eliminate duplicates Z: 10 7.017 1.784 0.581 0.297 1.000 0.667 CB 1.040 10 residues pruned to eliminate duplicates Z: 9 4.102 1.877 0.228 0.445 1.000 0.750 CB 0.666 9 residues pruned to eliminate duplicates Z: 12 4.434 1.783 0.256 0.334 0.727 0.455 CB 0.985 12 residues pruned to eliminate duplicates Z: 16 6.617 1.811 0.223 0.370 1.000 0.667 CB 0.887 16 residues pruned to eliminate duplicates Z: 27 16.890 1.908 0.520 0.575 0.923 0.654 CB 1.150 27 residues pruned to eliminate duplicates Z: 24 7.079 1.843 0.167 0.328 0.826 0.522 CB 1.003 24 residues pruned to eliminate duplicates Z: 20 8.352 1.815 0.167 0.418 0.947 0.632 CB 1.040 20 residues pruned to eliminate duplicates Z: 9 2.927 1.773 0.018 0.288 0.625 0.250 CB 1.165 9 residues pruned to eliminate duplicates Z: 10 8.595 1.665 0.528 0.521 0.889 0.667 CB 1.240 10 residues pruned to eliminate duplicates Z: 26 17.221 1.859 0.218 0.698 0.960 0.760 CB 1.323 26 residues pruned to eliminate duplicates Z: 26 20.449 1.883 0.604 0.617 0.960 0.720 CB 1.262 26 residues pruned to eliminate duplicates Z: 25 15.380 1.747 0.505 0.607 0.875 0.458 CA 1.232 25 residues pruned to eliminate duplicates Z: 19 18.651 1.793 0.755 0.742 0.889 0.556 CB 1.265 19 residues pruned to eliminate duplicates Z: 25 22.300 1.815 0.735 0.647 1.000 0.667 CB 1.261 25 residues pruned to eliminate duplicates Z: 19 22.897 1.796 1.048 0.687 0.889 0.389 N 1.391 19 residues pruned to eliminate duplicates Z: 14 22.884 1.817 1.028 0.759 1.000 0.615 CB 1.367 14 residues pruned to eliminate duplicates Z: 32 20.385 1.870 0.538 0.663 0.935 0.516 CB 1.170 32 residues pruned to eliminate duplicates Z: 16 21.710 1.779 1.004 0.784 1.000 0.400 CB 1.224 16 residues pruned to eliminate duplicates Z: 15 18.384 1.779 1.005 0.675 0.929 0.571 CB 1.263 15 residues pruned to eliminate duplicates Z: 17 19.288 1.728 0.986 0.778 0.938 0.312 CB 1.172 17 residues pruned to eliminate duplicates Z: 16 25.087 1.847 1.002 0.808 1.000 0.267 CB 1.340 16 residues pruned to eliminate duplicates Z: 30 18.735 1.825 0.566 0.627 0.931 0.552 CB 1.160 30 residues pruned to eliminate duplicates Z: 16 17.590 1.784 0.950 0.664 0.867 0.467 CA 1.295 16 residues pruned to eliminate duplicates Z: 9 6.839 1.608 0.690 0.736 0.875 0.500 CB 0.822 8 residues pruned to eliminate duplicates Z: 7 4.369 1.730 0.260 0.766 1.000 0.500 CB 0.646 7 residues pruned to eliminate duplicates Z: 6 10.580 1.700 1.014 0.832 1.000 0.600 CB 1.038 7 residues pruned to eliminate duplicates Z: 6 5.650 1.523 1.160 0.764 0.800 0.200 CB 0.760 5 residues pruned to eliminate duplicates Z: 6 6.044 1.554 0.853 0.789 1.000 0.600 CB 0.728 6 residues pruned to eliminate duplicates Z: 12 11.969 1.744 0.528 0.786 1.000 0.727 CB 1.053 10 residues pruned to eliminate duplicates Z: 8 7.813 1.637 0.777 0.699 0.714 0.143 CB 1.185 8 residues pruned to eliminate duplicates Z: 12 11.339 1.706 0.544 0.798 1.000 0.545 CB 1.000 12 residues pruned to eliminate duplicates Z: 9 16.515 1.722 0.848 0.897 1.000 0.875 CB 1.313 10 residues pruned to eliminate duplicates Z: 12 12.088 1.623 0.807 0.718 0.909 0.545 CB 1.122 12 residues pruned to eliminate duplicates Z: 7 7.121 1.662 0.391 0.706 1.000 0.500 CB 1.043 7 residues pruned to eliminate duplicates Z: 10 4.846 1.742 0.376 0.461 0.889 0.444 CB 0.788 9 residues pruned to eliminate duplicates Z: 8 7.228 1.694 0.366 0.752 1.000 0.571 CB 0.943 8 residues pruned to eliminate duplicates Z: 6 4.614 1.792 0.035 0.738 0.800 0.600 CB 1.123 6 residues pruned to eliminate duplicates Z: 16 5.654 1.718 0.224 0.408 0.800 0.200 CB 0.956 11 residues pruned to eliminate duplicates Z: 10 4.731 1.518 0.499 0.397 0.667 0.556 CB 1.159 5 residues pruned to eliminate duplicates Z: 6 4.960 1.561 0.412 0.420 1.000 1.000 CB 1.095 3 residues pruned to eliminate duplicates Z: 11 9.281 1.755 0.620 0.435 0.900 0.700 CB 1.226 13 residues pruned to eliminate duplicates Z: 7 6.886 1.926 0.695 0.336 1.000 0.333 CB 1.030 7 residues pruned to eliminate duplicates Z: 10 5.841 2.007 0.641 0.281 1.000 0.667 CB 0.757 10 residues pruned to eliminate duplicates Z: 23 14.938 1.952 0.609 0.518 0.909 0.591 CB 1.096 22 residues pruned to eliminate duplicates Z: 13 5.827 1.882 0.565 0.243 0.917 0.750 CB 0.838 13 residues pruned to eliminate duplicates Z: 25 15.173 1.946 0.791 0.457 0.833 0.500 CB 1.115 25 residues pruned to eliminate duplicates Z: 25 16.450 1.882 0.720 0.490 1.000 0.750 CB 1.048 25 residues pruned to eliminate duplicates Z: 24 16.241 1.822 0.915 0.477 0.957 0.522 CB 1.039 24 residues pruned to eliminate duplicates Z: 23 15.913 1.944 0.666 0.520 0.864 0.545 CB 1.190 23 residues pruned to eliminate duplicates Z: 14 14.581 1.986 0.466 0.655 0.923 0.615 CA 1.304 14 residues pruned to eliminate duplicates Z: 23 16.349 1.968 0.641 0.518 0.864 0.636 CB 1.227 24 residues pruned to eliminate duplicates Z: 25 17.713 1.963 0.658 0.491 1.000 0.708 CB 1.121 25 residues pruned to eliminate duplicates Z: 27 22.373 1.948 0.796 0.653 0.962 0.769 CB 1.131 27 residues pruned to eliminate duplicates Z: 17 25.879 1.956 0.805 0.830 1.000 0.812 CA 1.378 18 residues pruned to eliminate duplicates Z: 13 17.601 1.908 0.645 0.901 0.917 0.917 CB 1.260 13 residues pruned to eliminate duplicates Z: 14 12.229 1.975 0.448 0.660 0.846 0.846 CA 1.208 14 residues pruned to eliminate duplicates Z: 25 13.728 1.973 0.537 0.462 0.958 0.667 CB 1.002 25 residues pruned to eliminate duplicates Z: 18 22.517 1.944 0.778 0.794 0.941 0.765 CA 1.298 18 residues pruned to eliminate duplicates Z: 13 17.680 2.001 0.639 0.696 1.000 0.750 CA 1.302 13 residues pruned to eliminate duplicates Z: 19 21.064 1.961 0.837 0.749 0.944 0.778 CB 1.168 19 residues pruned to eliminate duplicates Z: 14 22.321 1.915 0.814 0.919 0.923 0.923 CB 1.361 19 residues pruned to eliminate duplicates Z: 14 21.593 1.924 0.967 0.921 0.846 0.846 CB 1.315 14 residues pruned to eliminate duplicates Z: 15 24.286 1.898 1.031 0.892 0.929 0.786 CA 1.303 15 residues pruned to eliminate duplicates Z: 6 7.285 1.531 0.325 0.773 1.000 0.600 O 1.262 6 residues pruned to eliminate duplicates Z: 12 11.957 1.795 0.425 0.572 0.909 0.818 CA 1.446 12 residues pruned to eliminate duplicates Z: 11 6.486 1.663 0.417 0.386 0.900 0.600 CB 1.091 16 residues pruned to eliminate duplicates Z: 7 5.657 1.529 0.366 0.820 0.833 0.833 CA 1.005 7 residues pruned to eliminate duplicates Z: 14 21.712 1.948 0.633 0.839 1.000 0.769 CA 1.414 14 residues pruned to eliminate duplicates Z: 19 21.589 1.828 0.833 0.700 0.833 0.667 CA 1.518 25 residues pruned to eliminate duplicates Z: 16 25.129 1.757 0.708 0.943 1.000 0.800 CB 1.498 17 residues pruned to eliminate duplicates Z: 14 24.158 1.896 0.636 0.936 1.000 0.769 CA 1.505 14 residues pruned to eliminate duplicates Z: 15 22.920 1.854 0.796 0.931 0.929 0.714 CB 1.385 15 residues pruned to eliminate duplicates Z: 9 20.685 1.999 0.973 0.769 0.875 0.750 CA 1.670 9 residues pruned to eliminate duplicates Z: 8 22.032 2.156 0.985 0.740 1.000 0.714 CB 1.568 8 residues pruned to eliminate duplicates Z: 8 13.678 1.914 0.828 0.779 0.857 0.429 CB 1.348 8 residues pruned to eliminate duplicates Z: 10 13.269 1.874 0.628 0.649 0.889 0.667 CB 1.419 10 residues pruned to eliminate duplicates 907 residues left after pruning, divided into chains as follows: A: 7 B: 6 C: 12 D: 6 E: 12 F: 9 G: 12 H: 8 I: 12 J: 11 K: 35 L: 6 M: 14 N: 9 O: 15 P: 28 Q: 12 R: 12 S: 36 T: 9 U: 11 V: 29 W: 7 X: 29 Y: 6 Z: 14 Z: 41 Z: 11 Z: 7 Z: 197 Z: 38 Z: 83 Z: 74 Z: 9 Z: 17 Z: 16 Z: 47 CC for partial structure against native data = 32.20 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.415, Connect. = 0.703 for dens.mod. cycle 1 = 0.300, Contrast = 0.475, Connect. = 0.726 for dens.mod. cycle 2 = 0.300, Contrast = 0.568, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.578, Connect. = 0.759 for dens.mod. cycle 4 = 0.300, Contrast = 0.589, Connect. = 0.761 for dens.mod. cycle 5 = 0.300, Contrast = 0.595, Connect. = 0.763 for dens.mod. cycle 6 = 0.300, Contrast = 0.601, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.604, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.607, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.609, Connect. = 0.767 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.98 - 3.95 - 3.45 - 3.13 - 2.91 - 2.73 - 2.60 - 2.48 - 2.39 - 2.30 0.718 0.732 0.715 0.673 0.655 0.619 0.594 0.579 0.566 0.559 0.853 0.882 0.872 0.837 0.820 0.778 0.745 0.723 0.711 0.703 TimeTaking 193.5