null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:23:53 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: ./1z82-2.0-parrot-hancs/1z82-2.0-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./1z82-2.0-parrot-hancs/1z82-2.0-parrot-hancs.ins Phases from ./1z82-2.0-parrot-hancs/1z82-2.0-parrot-hancs.phi Native data from ./1z82-2.0-parrot-hancs/1z82-2.0-parrot-hancs.hkl Listing output to ./1z82-2.0-parrot-hancs/1z82-2.0-parrot-hancs.lst Phases output to ./1z82-2.0-parrot-hancs/1z82-2.0-parrot-hancs.phs Poly-Ala trace output to ./1z82-2.0-parrot-hancs/1z82-2.0-parrot-hancs.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 40539 Reflections read from file ./1z82-2.0-parrot-hancs/1z82-2.0-parrot-hancs.phi 40539 Reflections read from file ./1z82-2.0-parrot-hancs/1z82-2.0-parrot-hancs.hkl 40539 Unique data, highest resolution = 2.000 Angstroms Anisotropic scaling: intensities multiplied by 0.002292h^2 +0.000126k^2 -0.000692l^2 +0.000000kl +0.001363hl +0.000000hk 142 Reflections with d > 2.200 and 0 in range 2.200 > d > 2.000 added Density sharpening factor set to 0.75 Fourier grid = 128 x 128 x 57 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.694 = 0.300, Contrast = 0.354, Connect. = 0.716 for dens.mod. cycle 1 = 0.300, Contrast = 0.417, Connect. = 0.722 for dens.mod. cycle 2 = 0.300, Contrast = 0.499, Connect. = 0.745 for dens.mod. cycle 3 = 0.300, Contrast = 0.523, Connect. = 0.753 for dens.mod. cycle 4 = 0.300, Contrast = 0.538, Connect. = 0.758 for dens.mod. cycle 5 = 0.300, Contrast = 0.547, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.554, Connect. = 0.763 for dens.mod. cycle 7 = 0.300, Contrast = 0.559, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.563, Connect. = 0.767 for dens.mod. cycle 9 = 0.300, Contrast = 0.565, Connect. = 0.768 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2624 peaks > 0.5 sigma used to seed fragment search Space for about 670 unique residues taking solvent into account 643 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 27.872 2.080 0.696 0.917 0.944 0.778 CB 1.391 B: 24 26.873 2.103 0.577 0.897 0.913 0.696 CB 1.324 19 residues pruned to eliminate duplicates C: 13 23.129 2.145 0.735 0.837 0.917 0.917 CB 1.463 D: 24 28.077 2.107 0.601 0.944 0.957 0.739 CB 1.256 24 residues pruned to eliminate duplicates E: 23 25.285 2.024 0.528 0.890 0.955 0.909 CA 1.314 13 residues pruned to eliminate duplicates F: 7 16.446 2.246 0.586 0.819 1.000 0.500 CB 1.429 G: 22 23.433 2.017 0.305 0.932 1.000 0.905 CB 1.357 H: 22 26.986 2.035 0.497 0.942 1.000 1.000 CB 1.341 22 residues pruned to eliminate duplicates I: 13 27.813 2.065 1.020 0.886 1.000 0.583 CB 1.389 13 residues pruned to eliminate duplicates J: 17 19.976 1.894 0.541 0.845 1.000 0.812 CB 1.273 K: 16 21.310 2.043 0.603 0.906 1.000 0.733 CA 1.195 16 residues pruned to eliminate duplicates L: 23 32.701 2.037 0.949 0.911 0.955 0.682 CB 1.304 23 residues pruned to eliminate duplicates M: 17 14.866 1.946 0.297 0.850 0.938 0.625 CB 1.163 N: 17 20.680 1.983 0.526 0.894 1.000 0.938 CB 1.225 17 residues pruned to eliminate duplicates O: 23 27.483 1.991 0.778 0.877 0.955 0.682 CA 1.259 23 residues pruned to eliminate duplicates P: 18 26.749 2.146 0.646 0.918 0.941 0.824 CA 1.376 Q: 14 24.317 1.953 1.022 0.911 0.923 0.923 CA 1.311 R: 27 27.876 2.005 0.588 0.905 0.923 0.808 CB 1.324 27 residues pruned to eliminate duplicates S: 25 28.592 2.091 0.648 0.922 0.958 0.333 CB 1.242 18 residues pruned to eliminate duplicates T: 25 35.228 2.124 0.752 0.933 0.958 0.833 CA 1.407 25 residues pruned to eliminate duplicates U: 22 30.734 2.013 0.796 0.932 1.000 0.667 CB 1.295 22 residues pruned to eliminate duplicates V: 9 14.125 1.966 0.471 0.818 1.000 0.500 CB 1.310 8 residues pruned to eliminate duplicates W: 7 10.608 2.256 0.377 0.860 0.833 0.500 CB 1.230 7 residues pruned to eliminate duplicates X: 24 31.300 2.143 0.706 0.911 0.957 0.609 CB 1.323 24 residues pruned to eliminate duplicates Y: 10 20.252 1.943 0.838 0.920 1.000 0.778 CB 1.331 Z: 24 30.129 2.107 0.640 0.916 1.000 0.957 CA 1.283 24 residues pruned to eliminate duplicates Z: 7 10.824 2.124 0.344 0.785 0.833 0.667 CA 1.446 7 residues pruned to eliminate duplicates Z: 23 33.321 2.053 0.809 0.930 1.000 0.727 CB 1.338 22 residues pruned to eliminate duplicates Z: 20 35.564 2.135 0.939 0.919 1.000 0.737 CB 1.389 20 residues pruned to eliminate duplicates Z: 15 28.783 1.873 1.094 0.910 1.000 0.786 CB 1.391 14 residues pruned to eliminate duplicates Z: 22 33.496 2.049 0.894 0.939 1.000 0.762 CB 1.308 22 residues pruned to eliminate duplicates Z: 23 27.211 2.102 0.565 0.911 0.955 0.818 CA 1.309 23 residues pruned to eliminate duplicates Z: 17 23.344 1.952 0.599 0.877 1.000 0.875 CB 1.358 17 residues pruned to eliminate duplicates Z: 25 32.962 2.122 0.619 0.918 1.000 0.792 CB 1.381 25 residues pruned to eliminate duplicates Z: 12 15.767 2.080 0.438 0.896 1.000 0.909 CA 1.139 Z: 23 28.887 2.001 0.619 0.932 1.000 0.818 CB 1.328 22 residues pruned to eliminate duplicates Z: 26 32.122 2.063 0.789 0.916 0.920 0.840 CB 1.336 26 residues pruned to eliminate duplicates Z: 18 17.677 1.878 0.400 0.855 1.000 0.765 CB 1.204 18 residues pruned to eliminate duplicates Z: 12 19.590 1.929 0.997 0.833 1.000 0.636 CB 1.150 Z: 12 20.012 2.041 1.112 0.891 0.909 0.636 CA 1.107 12 residues pruned to eliminate duplicates Z: 25 34.797 2.142 0.804 0.905 1.000 0.625 CB 1.307 25 residues pruned to eliminate duplicates Z: 18 26.090 1.968 0.784 0.862 1.000 0.765 CB 1.323 17 residues pruned to eliminate duplicates Z: 13 24.339 1.968 0.876 0.881 1.000 0.667 CB 1.378 Z: 17 19.055 1.838 0.579 0.929 0.938 0.938 CB 1.225 Z: 19 20.900 2.033 0.495 0.874 0.944 0.778 CA 1.249 19 residues pruned to eliminate duplicates Z: 18 26.132 2.193 0.478 0.924 1.000 0.941 CB 1.374 18 residues pruned to eliminate duplicates Z: 17 22.405 1.878 0.745 0.841 1.000 0.750 CB 1.275 17 residues pruned to eliminate duplicates Z: 25 31.445 2.085 0.732 0.904 0.958 0.875 CB 1.321 24 residues pruned to eliminate duplicates Z: 17 31.238 2.246 0.725 0.930 1.000 0.875 CB 1.410 17 residues pruned to eliminate duplicates Z: 18 18.435 1.814 0.494 0.900 0.941 0.824 CB 1.253 17 residues pruned to eliminate duplicates Z: 25 35.140 2.126 0.794 0.938 1.000 0.542 CB 1.308 25 residues pruned to eliminate duplicates Z: 22 28.342 2.008 0.588 0.939 1.000 0.714 CB 1.347 23 residues pruned to eliminate duplicates Z: 24 34.790 2.159 0.687 0.940 1.000 0.913 CB 1.384 25 residues pruned to eliminate duplicates Z: 10 19.162 2.164 0.790 0.902 0.889 0.889 CB 1.323 10 residues pruned to eliminate duplicates Z: 12 25.234 2.104 1.133 0.914 1.000 0.727 CB 1.199 12 residues pruned to eliminate duplicates Z: 13 17.579 1.875 0.599 0.939 1.000 0.750 CB 1.176 Z: 24 31.643 2.169 0.644 0.919 0.957 0.652 CB 1.363 24 residues pruned to eliminate duplicates Z: 15 23.555 1.922 0.842 0.867 1.000 0.643 CB 1.301 15 residues pruned to eliminate duplicates Z: 23 36.012 2.007 1.016 0.925 1.000 0.727 CB 1.332 23 residues pruned to eliminate duplicates Z: 14 21.199 1.903 0.814 0.921 0.923 0.846 CB 1.298 17 residues pruned to eliminate duplicates Z: 23 31.507 1.993 0.880 0.909 1.000 0.682 CB 1.273 23 residues pruned to eliminate duplicates Z: 17 19.904 1.906 0.640 0.894 0.938 0.750 CB 1.219 17 residues pruned to eliminate duplicates Z: 16 19.350 2.041 0.575 0.916 1.000 1.000 CA 1.098 16 residues pruned to eliminate duplicates Z: 14 19.974 1.837 0.789 0.884 1.000 0.615 CB 1.218 14 residues pruned to eliminate duplicates Z: 13 25.419 2.054 1.079 0.867 1.000 0.500 CB 1.257 13 residues pruned to eliminate duplicates Z: 47 35.375 1.993 0.771 0.669 0.935 0.587 CA 1.353 32 residues pruned to eliminate duplicates Z: 13 25.648 1.987 1.067 0.912 1.000 0.833 CB 1.277 14 residues pruned to eliminate duplicates Z: 17 17.160 1.853 0.828 0.845 0.875 0.625 CB 1.076 11 residues pruned to eliminate duplicates Z: 12 28.176 1.974 1.114 0.918 1.000 0.818 CB 1.435 13 residues pruned to eliminate duplicates Z: 25 20.030 1.973 0.628 0.454 0.917 0.458 CA 1.456 22 residues pruned to eliminate duplicates Z: 26 27.765 2.066 0.516 0.906 0.920 0.680 CB 1.370 26 residues pruned to eliminate duplicates Z: 14 23.797 1.869 0.859 0.912 1.000 0.923 CA 1.346 13 residues pruned to eliminate duplicates Z: 23 30.587 2.140 0.682 0.943 1.000 0.773 CB 1.256 23 residues pruned to eliminate duplicates Z: 10 16.162 2.162 0.425 0.890 1.000 0.889 CB 1.259 10 residues pruned to eliminate duplicates Z: 11 14.702 1.694 0.541 0.902 1.000 0.700 CA 1.271 Z: 14 20.290 1.919 0.654 0.905 1.000 0.923 CA 1.261 14 residues pruned to eliminate duplicates Z: 23 33.676 2.011 1.008 0.928 0.955 0.773 CB 1.304 23 residues pruned to eliminate duplicates Z: 20 24.102 1.730 0.721 0.888 1.000 0.789 CB 1.338 17 residues pruned to eliminate duplicates Z: 7 7.355 1.653 0.662 0.631 1.000 0.667 CA 0.966 7 residues pruned to eliminate duplicates Z: 10 6.768 1.876 0.867 0.233 0.778 0.778 CB 1.129 Z: 7 16.895 1.849 0.909 0.791 1.000 0.667 CB 1.513 Z: 14 23.273 1.968 0.728 0.907 1.000 0.846 CA 1.349 14 residues pruned to eliminate duplicates Z: 12 22.617 2.081 0.826 0.917 0.909 0.818 CA 1.393 12 residues pruned to eliminate duplicates Z: 10 23.204 1.957 1.075 0.924 1.000 0.667 CB 1.337 10 residues pruned to eliminate duplicates Z: 15 12.940 1.839 0.434 0.885 1.000 0.857 CA 0.947 13 residues pruned to eliminate duplicates Z: 14 25.116 1.986 1.224 0.860 0.923 0.769 CB 1.255 Z: 23 12.275 1.667 0.246 0.574 1.000 0.727 CB 1.173 Z: 13 18.349 1.920 0.862 0.888 0.917 0.250 CB 1.165 13 residues pruned to eliminate duplicates Z: 11 11.284 1.706 0.408 0.823 1.000 0.700 CA 1.123 Z: 7 11.238 2.054 0.353 0.834 1.000 0.500 CB 1.237 Z: 14 31.089 2.059 1.102 0.926 1.000 0.846 CB 1.398 14 residues pruned to eliminate duplicates Z: 7 13.989 2.035 0.604 0.887 1.000 1.000 CB 1.261 7 residues pruned to eliminate duplicates Z: 6 10.726 1.700 0.657 0.800 1.000 0.800 CA 1.310 Z: 8 13.824 1.844 0.601 0.868 1.000 0.857 CA 1.294 8 residues pruned to eliminate duplicates Z: 11 16.958 1.836 0.673 0.849 1.000 0.700 CB 1.295 11 residues pruned to eliminate duplicates Z: 13 18.519 1.949 0.758 0.916 1.000 0.917 CB 1.101 13 residues pruned to eliminate duplicates Z: 6 4.767 1.658 0.686 0.818 0.800 0.600 CA 0.723 6 residues pruned to eliminate duplicates Z: 25 36.958 2.131 0.835 0.935 1.000 0.667 CB 1.344 31 residues pruned to eliminate duplicates Z: 27 20.700 1.945 0.756 0.574 0.885 0.731 CB 1.251 23 residues pruned to eliminate duplicates Z: 25 33.264 2.139 0.856 0.940 0.958 0.542 CB 1.239 25 residues pruned to eliminate duplicates Z: 22 30.041 2.008 0.916 0.893 0.952 0.524 CB 1.285 22 residues pruned to eliminate duplicates Z: 24 32.690 2.128 0.705 0.914 1.000 0.565 CB 1.329 24 residues pruned to eliminate duplicates Z: 12 23.021 1.903 1.428 0.908 0.909 0.727 CB 1.174 12 residues pruned to eliminate duplicates Z: 9 8.501 1.787 0.831 0.461 0.750 0.500 CB 1.274 Z: 10 19.487 1.961 0.984 0.920 0.889 0.444 CB 1.323 10 residues pruned to eliminate duplicates Z: 21 40.358 2.084 1.156 0.941 1.000 0.700 CB 1.393 23 residues pruned to eliminate duplicates Z: 12 20.067 1.949 1.171 0.877 1.000 0.818 CB 1.039 12 residues pruned to eliminate duplicates Z: 8 7.315 1.702 0.409 0.489 1.000 0.714 CB 1.166 Z: 13 14.592 1.993 0.591 0.695 0.917 0.667 CB 1.213 13 residues pruned to eliminate duplicates Z: 12 21.029 2.066 0.832 0.919 1.000 0.909 CB 1.180 12 residues pruned to eliminate duplicates Z: 8 14.342 1.955 0.695 0.823 1.000 0.571 CB 1.236 7 residues pruned to eliminate duplicates Z: 20 27.161 2.046 0.650 0.924 1.000 0.737 CA 1.297 20 residues pruned to eliminate duplicates Z: 10 23.658 2.095 1.104 0.887 1.000 0.889 CB 1.291 10 residues pruned to eliminate duplicates Z: 16 24.764 1.985 0.739 0.888 1.000 0.933 CB 1.334 16 residues pruned to eliminate duplicates Z: 24 32.802 2.166 0.804 0.938 0.957 0.609 CB 1.273 24 residues pruned to eliminate duplicates Z: 24 30.360 2.075 0.741 0.949 1.000 0.826 CB 1.209 24 residues pruned to eliminate duplicates Z: 13 27.933 2.099 0.817 0.919 1.000 0.833 CB 1.490 13 residues pruned to eliminate duplicates Z: 14 18.765 2.037 0.755 0.926 1.000 0.846 CA 1.020 14 residues pruned to eliminate duplicates Z: 13 22.392 1.922 1.208 0.874 0.917 0.667 CB 1.210 Z: 16 25.444 1.976 0.806 0.873 1.000 0.867 CB 1.340 16 residues pruned to eliminate duplicates Z: 17 14.363 1.793 0.318 0.889 0.938 0.812 CB 1.168 17 residues pruned to eliminate duplicates Z: 13 24.191 1.789 1.193 0.901 1.000 0.583 CA 1.271 13 residues pruned to eliminate duplicates Z: 22 32.001 2.067 0.770 0.925 1.000 0.762 CB 1.340 22 residues pruned to eliminate duplicates Z: 18 21.131 1.886 0.621 0.838 1.000 0.765 CB 1.254 18 residues pruned to eliminate duplicates Z: 19 26.788 2.041 0.826 0.897 0.944 0.444 CB 1.284 19 residues pruned to eliminate duplicates Z: 24 24.238 1.940 0.609 0.920 0.957 0.870 CA 1.192 24 residues pruned to eliminate duplicates Z: 11 12.290 1.775 0.582 0.838 1.000 0.700 CB 1.034 11 residues pruned to eliminate duplicates Z: 9 8.075 1.772 0.483 0.787 1.000 0.750 CB 0.844 9 residues pruned to eliminate duplicates Z: 16 20.321 1.963 0.475 0.880 1.000 0.733 CB 1.313 16 residues pruned to eliminate duplicates Z: 18 35.701 2.100 1.090 0.910 1.000 0.765 CB 1.399 18 residues pruned to eliminate duplicates Z: 9 9.191 1.509 0.582 0.737 1.000 0.625 CA 1.100 Z: 10 13.050 2.063 0.611 0.507 0.889 0.667 CA 1.462 10 residues pruned to eliminate duplicates Z: 8 11.676 1.623 0.628 0.834 1.000 0.714 CA 1.252 9 residues pruned to eliminate duplicates Z: 16 16.844 1.994 0.377 0.936 1.000 1.000 CA 1.103 16 residues pruned to eliminate duplicates Z: 13 26.513 1.966 0.851 0.910 1.000 0.917 CB 1.492 13 residues pruned to eliminate duplicates Z: 56 25.870 1.830 0.638 0.661 0.909 0.582 CB 1.103 42 residues pruned to eliminate duplicates Z: 26 28.461 2.042 0.519 0.901 1.000 0.760 CB 1.311 26 residues pruned to eliminate duplicates Z: 11 17.335 1.796 0.775 0.879 1.000 0.500 CB 1.247 11 residues pruned to eliminate duplicates Z: 39 26.391 1.933 0.499 0.727 0.947 0.684 CB 1.271 18 residues pruned to eliminate duplicates Z: 11 15.237 1.732 0.755 0.826 1.000 0.700 CA 1.195 11 residues pruned to eliminate duplicates Z: 9 16.303 1.780 0.616 0.900 1.000 0.625 CB 1.432 9 residues pruned to eliminate duplicates Z: 18 22.459 1.894 0.591 0.912 1.000 0.706 CB 1.280 20 residues pruned to eliminate duplicates Z: 22 28.464 2.068 0.591 0.937 1.000 0.762 CB 1.313 22 residues pruned to eliminate duplicates Z: 7 5.436 1.646 0.254 0.847 0.833 0.500 CB 0.957 7 residues pruned to eliminate duplicates Z: 13 25.466 1.880 1.122 0.910 1.000 0.833 CB 1.307 13 residues pruned to eliminate duplicates Z: 14 31.409 1.993 1.127 0.909 1.000 0.615 CB 1.458 14 residues pruned to eliminate duplicates Z: 13 20.221 1.921 1.011 0.920 1.000 0.417 CB 1.064 13 residues pruned to eliminate duplicates Z: 12 25.976 1.977 1.244 0.932 1.000 0.818 CB 1.233 12 residues pruned to eliminate duplicates Z: 34 24.861 1.812 0.955 0.696 0.970 0.576 CB 1.054 14 residues pruned to eliminate duplicates Z: 10 13.463 1.843 0.432 0.885 1.000 0.778 CB 1.227 9 residues pruned to eliminate duplicates Z: 21 39.459 2.054 1.082 0.961 1.000 0.700 CB 1.413 21 residues pruned to eliminate duplicates Z: 13 21.859 1.922 0.904 0.895 1.000 0.583 CB 1.236 13 residues pruned to eliminate duplicates Z: 24 30.285 1.970 0.787 0.886 1.000 0.783 CA 1.294 24 residues pruned to eliminate duplicates Z: 17 25.518 1.995 0.809 0.852 1.000 0.750 CB 1.307 17 residues pruned to eliminate duplicates Z: 19 35.584 2.064 1.037 0.905 0.944 0.556 CA 1.503 19 residues pruned to eliminate duplicates Z: 25 29.195 2.054 0.679 0.916 0.917 0.750 CB 1.332 25 residues pruned to eliminate duplicates Z: 23 30.607 2.012 0.807 0.913 0.955 0.773 CB 1.331 23 residues pruned to eliminate duplicates Z: 8 6.222 1.609 0.355 0.827 0.857 0.857 CB 0.949 Z: 11 5.909 1.689 0.489 0.381 0.700 0.400 CA 1.205 11 residues pruned to eliminate duplicates Z: 25 29.779 2.125 0.646 0.929 0.958 0.833 CB 1.269 25 residues pruned to eliminate duplicates Z: 16 20.216 1.775 0.782 0.900 1.000 0.867 CB 1.179 16 residues pruned to eliminate duplicates Z: 13 27.961 1.996 1.082 0.889 1.000 0.833 CB 1.399 12 residues pruned to eliminate duplicates Z: 13 7.299 1.571 0.458 0.390 0.917 0.667 CB 1.127 Z: 12 21.710 1.927 1.075 0.924 1.000 0.909 CB 1.150 12 residues pruned to eliminate duplicates Z: 12 13.609 2.096 0.454 0.886 0.909 0.909 CA 1.069 12 residues pruned to eliminate duplicates Z: 23 36.992 2.033 1.044 0.906 1.000 0.682 CB 1.349 23 residues pruned to eliminate duplicates Z: 20 25.689 2.098 0.911 0.582 0.947 0.526 CA 1.433 20 residues pruned to eliminate duplicates Z: 9 13.539 1.799 0.592 0.859 1.000 0.875 CB 1.230 Z: 11 11.718 1.630 0.413 0.897 1.000 0.800 CA 1.152 11 residues pruned to eliminate duplicates Z: 20 26.828 2.175 0.568 0.920 0.947 0.842 CB 1.341 20 residues pruned to eliminate duplicates Z: 6 5.683 1.724 0.134 0.844 1.000 0.800 CA 0.967 6 residues pruned to eliminate duplicates Z: 12 17.723 1.831 0.925 0.779 0.909 0.636 CB 1.304 9 residues pruned to eliminate duplicates Z: 24 31.627 2.120 0.590 0.934 1.000 0.957 CB 1.365 24 residues pruned to eliminate duplicates Z: 25 16.846 1.883 0.787 0.477 0.750 0.417 CB 1.395 8 residues pruned to eliminate duplicates Z: 14 27.747 2.027 1.000 0.899 1.000 0.769 CB 1.357 14 residues pruned to eliminate duplicates Z: 9 10.230 1.691 0.350 0.857 1.000 0.500 CB 1.167 9 residues pruned to eliminate duplicates Z: 18 17.406 1.807 0.544 0.902 0.882 0.765 CB 1.222 18 residues pruned to eliminate duplicates Z: 8 10.719 1.829 0.473 0.796 1.000 0.571 CB 1.160 8 residues pruned to eliminate duplicates Z: 12 27.010 2.033 1.161 0.910 1.000 1.000 CB 1.315 12 residues pruned to eliminate duplicates Z: 8 6.488 1.435 0.637 0.538 0.857 0.571 O 1.173 8 residues pruned to eliminate duplicates Z: 11 12.914 1.652 0.547 0.867 1.000 0.700 CA 1.169 11 residues pruned to eliminate duplicates Z: 47 24.422 1.868 0.644 0.649 0.870 0.652 CB 1.174 42 residues pruned to eliminate duplicates Z: 11 16.603 1.844 0.745 0.837 0.900 0.700 CB 1.357 12 residues pruned to eliminate duplicates Z: 10 22.094 1.911 1.537 0.851 1.000 0.667 CB 1.125 10 residues pruned to eliminate duplicates Z: 19 20.738 2.025 0.838 0.575 0.944 0.667 CB 1.294 25 residues pruned to eliminate duplicates Z: 14 21.160 1.806 0.732 0.904 1.000 1.000 CA 1.337 14 residues pruned to eliminate duplicates Z: 26 25.638 2.040 0.516 0.924 0.880 0.760 CB 1.323 26 residues pruned to eliminate duplicates Z: 8 3.433 1.632 0.091 0.437 0.714 0.571 CB 1.089 8 residues pruned to eliminate duplicates Z: 18 14.897 1.658 0.517 0.654 0.941 0.647 CA 1.323 12 residues pruned to eliminate duplicates Z: 12 27.177 2.078 0.974 0.930 1.000 0.727 CB 1.397 12 residues pruned to eliminate duplicates Z: 14 11.760 1.724 0.684 0.557 1.000 0.846 CB 1.063 14 residues pruned to eliminate duplicates Z: 20 19.756 2.012 0.823 0.507 0.947 0.474 CA 1.296 20 residues pruned to eliminate duplicates Z: 6 4.342 1.778 -0.232 0.532 1.000 0.600 CB 1.378 Z: 15 19.774 1.926 0.619 0.916 1.000 0.643 CB 1.197 13 residues pruned to eliminate duplicates Z: 12 27.981 2.064 1.156 0.919 1.000 0.727 CB 1.336 12 residues pruned to eliminate duplicates Z: 14 13.604 1.660 0.893 0.663 0.846 0.615 CB 1.220 12 residues pruned to eliminate duplicates Z: 23 29.712 2.007 0.722 0.888 1.000 0.864 CB 1.320 23 residues pruned to eliminate duplicates Z: 8 7.177 1.615 0.608 0.842 0.857 0.857 CB 0.908 8 residues pruned to eliminate duplicates Z: 16 19.198 1.852 0.694 0.889 0.933 0.733 CB 1.219 16 residues pruned to eliminate duplicates Z: 17 21.187 1.847 0.570 0.915 1.000 0.812 CB 1.290 17 residues pruned to eliminate duplicates Z: 7 9.385 2.009 0.569 0.801 0.833 0.500 CB 1.121 7 residues pruned to eliminate duplicates Z: 10 11.999 1.758 0.385 0.898 0.889 0.667 CB 1.321 10 residues pruned to eliminate duplicates Z: 20 15.383 1.774 0.512 0.612 0.947 0.842 CB 1.249 21 residues pruned to eliminate duplicates Z: 10 9.413 1.757 0.077 0.896 1.000 0.889 CA 1.187 10 residues pruned to eliminate duplicates Z: 12 18.853 1.901 0.597 0.896 1.000 0.818 CA 1.342 12 residues pruned to eliminate duplicates Z: 11 14.462 1.692 0.431 0.866 1.000 0.700 CA 1.382 11 residues pruned to eliminate duplicates Z: 14 23.922 1.987 0.903 0.924 0.923 0.846 CA 1.335 14 residues pruned to eliminate duplicates Z: 7 8.588 2.043 0.176 0.796 0.833 0.500 CB 1.351 7 residues pruned to eliminate duplicates Z: 9 7.915 1.794 -0.076 0.864 1.000 0.625 CB 1.238 9 residues pruned to eliminate duplicates Z: 20 29.992 2.083 0.765 0.911 1.000 0.684 CB 1.326 20 residues pruned to eliminate duplicates Z: 9 10.019 1.667 0.253 0.864 1.000 0.625 CA 1.243 Z: 15 7.551 1.596 0.665 0.359 0.857 0.500 CB 1.031 9 residues pruned to eliminate duplicates Z: 10 22.933 2.151 1.061 0.900 0.889 0.444 CA 1.385 11 residues pruned to eliminate duplicates Z: 9 7.707 1.643 0.313 0.856 0.875 0.750 CB 1.065 Z: 14 12.179 1.758 0.952 0.545 0.846 0.692 CB 1.113 14 residues pruned to eliminate duplicates Z: 16 15.843 1.711 0.804 0.824 0.933 0.667 CB 1.073 17 residues pruned to eliminate duplicates Z: 18 21.613 1.917 0.553 0.856 1.000 0.824 CB 1.298 18 residues pruned to eliminate duplicates Z: 41 27.252 1.958 0.840 0.595 0.875 0.625 CB 1.248 56 residues pruned to eliminate duplicates Z: 10 6.008 1.633 0.362 0.309 1.000 0.556 CB 1.113 10 residues pruned to eliminate duplicates Z: 12 26.685 1.935 1.220 0.909 1.000 0.727 CA 1.329 12 residues pruned to eliminate duplicates Z: 8 11.484 1.768 0.504 0.907 1.000 0.571 CB 1.159 10 residues pruned to eliminate duplicates Z: 11 12.257 1.761 0.641 0.774 0.900 0.800 CA 1.170 15 residues pruned to eliminate duplicates Z: 45 26.754 1.899 0.449 0.743 0.955 0.727 CB 1.236 45 residues pruned to eliminate duplicates Z: 24 16.373 1.734 0.412 0.537 1.000 0.826 CA 1.345 17 residues pruned to eliminate duplicates Z: 23 35.908 2.009 1.156 0.916 1.000 0.727 CB 1.248 23 residues pruned to eliminate duplicates Z: 11 12.019 1.747 0.666 0.796 0.900 0.500 CB 1.119 11 residues pruned to eliminate duplicates Z: 14 13.794 1.684 0.559 0.697 0.923 0.769 CB 1.319 14 residues pruned to eliminate duplicates Z: 8 8.236 1.743 0.851 0.440 1.000 1.000 CB 1.026 8 residues pruned to eliminate duplicates Z: 8 12.113 1.718 0.463 0.860 1.000 0.857 CA 1.339 8 residues pruned to eliminate duplicates Z: 11 19.859 1.852 1.214 0.847 1.000 0.600 CB 1.137 11 residues pruned to eliminate duplicates Z: 17 24.756 1.834 0.893 0.900 1.000 0.688 CA 1.274 17 residues pruned to eliminate duplicates Z: 36 22.672 1.877 0.640 0.705 0.857 0.600 CB 1.205 36 residues pruned to eliminate duplicates Z: 22 25.681 1.962 0.671 0.912 1.000 0.857 CB 1.211 22 residues pruned to eliminate duplicates Z: 11 13.612 1.704 0.490 0.906 1.000 0.900 CB 1.206 10 residues pruned to eliminate duplicates Z: 15 21.633 1.762 1.048 0.914 0.929 0.571 CB 1.221 14 residues pruned to eliminate duplicates Z: 12 17.857 2.063 0.769 0.886 1.000 0.727 CA 1.064 12 residues pruned to eliminate duplicates Z: 18 26.662 1.882 1.017 0.872 0.941 0.412 CB 1.320 18 residues pruned to eliminate duplicates Z: 17 25.780 2.028 1.026 0.828 0.938 0.688 CA 1.260 17 residues pruned to eliminate duplicates Z: 16 11.180 1.900 0.405 0.420 0.867 0.400 CA 1.356 16 residues pruned to eliminate duplicates Z: 16 17.806 1.786 0.582 0.718 1.000 0.800 CA 1.336 16 residues pruned to eliminate duplicates Z: 7 4.785 1.893 0.735 0.244 0.667 0.500 CB 1.199 7 residues pruned to eliminate duplicates Z: 10 10.986 1.555 0.940 0.667 1.000 0.778 CB 1.040 10 residues pruned to eliminate duplicates Z: 13 23.596 1.844 1.256 0.879 1.000 0.417 CB 1.188 13 residues pruned to eliminate duplicates Z: 13 16.828 2.059 0.411 0.892 1.000 0.833 CA 1.202 Z: 12 13.891 1.792 0.896 0.779 0.818 0.636 CA 1.177 12 residues pruned to eliminate duplicates Z: 7 4.250 1.713 0.588 0.320 0.667 0.333 CA 1.166 7 residues pruned to eliminate duplicates Z: 17 26.458 1.987 0.853 0.909 1.000 0.875 CB 1.275 17 residues pruned to eliminate duplicates Z: 25 25.615 2.058 0.594 0.636 0.875 0.625 CA 1.604 25 residues pruned to eliminate duplicates Z: 8 16.279 2.029 0.612 0.834 1.000 0.857 CA 1.411 8 residues pruned to eliminate duplicates Z: 13 20.484 1.891 0.813 0.875 1.000 0.750 CA 1.254 13 residues pruned to eliminate duplicates Z: 6 2.550 1.417 0.553 0.444 1.000 1.000 CB 0.549 2 residues pruned to eliminate duplicates Z: 13 10.247 1.732 0.574 0.704 0.833 0.667 CB 1.082 13 residues pruned to eliminate duplicates Z: 11 10.332 1.624 0.540 0.570 1.000 0.600 CA 1.221 11 residues pruned to eliminate duplicates Z: 10 13.741 1.789 0.364 0.896 1.000 0.778 CA 1.344 10 residues pruned to eliminate duplicates Z: 37 31.608 2.004 0.575 0.724 0.972 0.722 CB 1.403 37 residues pruned to eliminate duplicates Z: 10 17.520 1.903 0.835 0.823 0.889 0.667 CA 1.422 10 residues pruned to eliminate duplicates Z: 36 30.055 1.978 0.700 0.695 0.914 0.571 CB 1.383 36 residues pruned to eliminate duplicates Z: 15 22.890 2.081 0.650 0.909 0.857 0.714 CB 1.476 15 residues pruned to eliminate duplicates Z: 10 25.596 1.964 1.097 0.923 1.000 0.444 CA 1.456 10 residues pruned to eliminate duplicates Z: 10 12.216 1.679 0.427 0.883 1.000 0.778 CA 1.229 10 residues pruned to eliminate duplicates Z: 22 30.202 2.046 0.647 0.910 1.000 0.762 CB 1.387 22 residues pruned to eliminate duplicates Z: 17 21.691 1.967 0.832 0.876 0.938 0.500 CB 1.166 17 residues pruned to eliminate duplicates Z: 12 14.423 1.853 0.564 0.874 0.909 0.818 CA 1.201 12 residues pruned to eliminate duplicates Z: 25 36.228 2.135 0.791 0.930 1.000 0.583 CB 1.353 25 residues pruned to eliminate duplicates Z: 11 13.459 1.736 0.341 0.901 1.000 0.900 CA 1.305 11 residues pruned to eliminate duplicates Z: 13 20.662 1.935 0.851 0.889 0.917 0.917 CB 1.308 13 residues pruned to eliminate duplicates Z: 11 14.894 1.656 0.819 0.874 1.000 0.700 CA 1.138 11 residues pruned to eliminate duplicates Z: 11 14.731 1.689 0.595 0.851 1.000 0.800 CA 1.280 11 residues pruned to eliminate duplicates Z: 10 13.053 1.886 0.636 0.766 0.778 0.667 CB 1.431 10 residues pruned to eliminate duplicates Z: 13 25.099 2.014 0.903 0.915 1.000 0.750 CA 1.336 13 residues pruned to eliminate duplicates Z: 12 25.283 2.146 0.998 0.918 1.000 0.545 CA 1.254 12 residues pruned to eliminate duplicates Z: 13 6.106 1.777 0.603 0.289 0.833 0.333 CB 0.942 10 residues pruned to eliminate duplicates Z: 8 6.562 1.709 0.245 0.901 1.000 0.857 CB 0.832 8 residues pruned to eliminate duplicates Z: 10 9.702 1.628 0.465 0.895 1.000 0.889 CA 0.972 10 residues pruned to eliminate duplicates Z: 21 22.256 2.006 0.299 0.932 1.000 1.000 CB 1.333 21 residues pruned to eliminate duplicates Z: 10 11.874 1.721 0.338 0.825 1.000 0.667 CA 1.296 10 residues pruned to eliminate duplicates Z: 22 11.326 1.549 0.609 0.491 0.952 0.667 CB 1.051 22 residues pruned to eliminate duplicates Z: 18 23.536 1.853 0.782 0.875 1.000 0.647 CB 1.257 18 residues pruned to eliminate duplicates Z: 15 6.561 1.738 0.391 0.312 0.714 0.429 CB 1.250 11 residues pruned to eliminate duplicates Z: 9 11.809 1.722 0.720 0.869 0.875 0.750 CA 1.177 9 residues pruned to eliminate duplicates Z: 25 32.980 2.079 0.864 0.884 0.958 0.708 CB 1.310 25 residues pruned to eliminate duplicates Z: 18 23.462 2.003 0.512 0.896 1.000 0.882 CB 1.346 18 residues pruned to eliminate duplicates Z: 11 7.603 1.701 0.355 0.480 0.900 0.800 CB 1.183 11 residues pruned to eliminate duplicates Z: 8 18.140 2.238 0.500 0.897 1.000 0.857 CB 1.462 8 residues pruned to eliminate duplicates Z: 12 22.941 2.076 1.087 0.907 1.000 0.818 CB 1.134 12 residues pruned to eliminate duplicates Z: 16 15.436 1.903 0.504 0.847 1.000 0.867 CB 1.033 16 residues pruned to eliminate duplicates Z: 26 15.966 1.839 0.703 0.519 0.920 0.480 CB 1.087 26 residues pruned to eliminate duplicates Z: 22 16.262 1.750 0.581 0.472 0.952 0.571 CA 1.386 22 residues pruned to eliminate duplicates Z: 11 16.207 1.829 0.817 0.913 1.000 1.000 CA 1.091 10 residues pruned to eliminate duplicates Z: 13 23.186 1.861 1.218 0.933 1.000 0.583 CB 1.131 13 residues pruned to eliminate duplicates Z: 10 11.360 1.560 0.599 0.878 1.000 0.778 CB 1.101 10 residues pruned to eliminate duplicates Z: 23 27.977 1.984 0.616 0.926 1.000 0.955 CB 1.305 22 residues pruned to eliminate duplicates Z: 11 14.409 1.858 0.593 0.810 1.000 0.700 CA 1.175 12 residues pruned to eliminate duplicates Z: 12 14.999 1.770 0.724 0.869 1.000 0.727 CA 1.083 12 residues pruned to eliminate duplicates Z: 11 17.930 1.976 0.608 0.920 1.000 1.000 CA 1.257 11 residues pruned to eliminate duplicates Z: 12 28.406 2.059 1.188 0.929 1.000 1.000 CA 1.331 13 residues pruned to eliminate duplicates Z: 8 4.914 1.671 0.206 0.471 0.857 0.571 CB 1.107 8 residues pruned to eliminate duplicates Z: 14 13.113 1.765 0.793 0.401 0.923 0.692 CB 1.382 8 residues pruned to eliminate duplicates Z: 21 31.380 2.049 1.059 0.923 1.000 0.450 CB 1.169 21 residues pruned to eliminate duplicates Z: 25 28.809 2.110 0.811 0.935 0.917 0.625 CB 1.170 25 residues pruned to eliminate duplicates Z: 45 31.128 1.945 0.587 0.731 0.955 0.682 CB 1.294 45 residues pruned to eliminate duplicates Z: 12 6.765 1.611 0.488 0.475 1.000 0.727 CB 0.873 12 residues pruned to eliminate duplicates Z: 8 9.403 1.632 0.719 0.871 0.857 0.714 CB 1.079 9 residues pruned to eliminate duplicates Z: 39 22.943 1.864 0.734 0.554 0.868 0.500 CB 1.258 42 residues pruned to eliminate duplicates Z: 10 13.294 1.748 0.499 0.890 1.000 0.556 CB 1.216 10 residues pruned to eliminate duplicates Z: 11 7.232 1.867 0.328 0.368 0.900 0.600 CA 1.181 11 residues pruned to eliminate duplicates Z: 17 25.125 1.978 0.990 0.882 1.000 0.750 CB 1.155 17 residues pruned to eliminate duplicates 6 1.114 1.584 -0.111 0.366 1.000 0.600 CB 0.409 ? Z: 9 9.138 1.518 0.637 0.734 1.000 0.375 CB 1.053 9 residues pruned to eliminate duplicates Z: 10 11.454 1.721 0.323 0.884 1.000 0.778 CA 1.211 10 residues pruned to eliminate duplicates Z: 26 16.080 1.723 1.002 0.511 0.880 0.400 CB 1.048 34 residues pruned to eliminate duplicates Z: 8 5.518 1.551 0.395 0.425 0.857 0.571 CA 1.216 Z: 22 24.882 1.965 0.842 0.715 0.952 0.667 CB 1.296 22 residues pruned to eliminate duplicates Z: 38 32.418 1.995 0.904 0.659 0.919 0.703 CB 1.318 29 residues pruned to eliminate duplicates Z: 10 9.464 1.559 0.423 0.829 1.000 0.778 CB 1.070 10 residues pruned to eliminate duplicates Z: 25 15.119 1.839 0.648 0.579 0.875 0.375 CB 1.078 25 residues pruned to eliminate duplicates Z: 18 17.583 1.759 0.475 0.891 1.000 0.765 CB 1.182 17 residues pruned to eliminate duplicates Z: 11 15.607 1.709 0.737 0.908 1.000 0.700 CB 1.181 11 residues pruned to eliminate duplicates Z: 10 10.887 1.574 0.695 0.833 1.000 0.556 CB 1.021 9 residues pruned to eliminate duplicates Z: 24 17.281 1.762 0.541 0.520 1.000 0.696 CA 1.301 24 residues pruned to eliminate duplicates Z: 12 14.969 2.035 0.383 0.863 0.909 0.727 CB 1.294 12 residues pruned to eliminate duplicates Z: 8 5.109 1.665 0.135 0.886 1.000 0.857 CB 0.738 8 residues pruned to eliminate duplicates Z: 13 26.259 2.005 1.337 0.915 1.000 0.917 CB 1.143 13 residues pruned to eliminate duplicates Z: 9 10.696 1.781 0.415 0.841 0.875 0.750 CA 1.278 9 residues pruned to eliminate duplicates 7 1.460 1.473 -0.180 0.555 0.667 0.500 CB 0.702 ? Z: 9 8.549 1.671 0.563 0.857 0.875 0.875 CB 0.975 9 residues pruned to eliminate duplicates 7 1.762 1.578 0.217 0.319 0.833 0.667 CB 0.549 ? Z: 13 7.553 1.626 0.574 0.477 0.917 0.667 CB 0.951 13 residues pruned to eliminate duplicates Z: 11 16.833 1.804 0.918 0.872 1.000 0.800 CB 1.122 11 residues pruned to eliminate duplicates Z: 26 34.923 2.107 0.875 0.935 0.880 0.680 CB 1.400 26 residues pruned to eliminate duplicates Z: 10 9.578 1.582 0.581 0.877 1.000 0.667 CA 0.927 11 residues pruned to eliminate duplicates Z: 10 25.307 1.947 1.207 0.929 1.000 0.778 CB 1.374 10 residues pruned to eliminate duplicates Z: 21 10.382 1.624 0.283 0.583 0.950 0.800 CB 1.083 21 residues pruned to eliminate duplicates Z: 9 2.736 1.359 0.497 0.391 0.500 0.500 O 1.067 Z: 24 36.172 2.132 0.860 0.920 1.000 0.348 CB 1.339 24 residues pruned to eliminate duplicates Z: 16 7.250 1.756 0.645 0.301 0.867 0.733 CB 0.934 10 residues pruned to eliminate duplicates Z: 25 38.451 2.112 0.911 0.924 1.000 0.833 CA 1.366 25 residues pruned to eliminate duplicates Z: 10 10.245 1.691 0.420 0.839 1.000 0.889 CA 1.062 10 residues pruned to eliminate duplicates Z: 10 8.692 1.688 0.242 0.906 1.000 0.778 CA 0.984 10 residues pruned to eliminate duplicates Z: 11 14.474 1.868 0.435 0.770 1.000 0.800 CB 1.344 11 residues pruned to eliminate duplicates Z: 15 21.143 1.789 0.905 0.881 0.929 0.357 CB 1.293 14 residues pruned to eliminate duplicates Z: 22 17.829 1.871 0.812 0.590 0.810 0.667 CB 1.300 22 residues pruned to eliminate duplicates Z: 9 4.050 1.491 0.381 0.325 0.875 0.500 CA 0.963 9 residues pruned to eliminate duplicates Z: 25 18.269 1.968 0.634 0.561 0.750 0.542 CA 1.457 25 residues pruned to eliminate duplicates Z: 25 25.197 2.050 0.709 0.523 0.958 0.625 CA 1.497 25 residues pruned to eliminate duplicates Z: 21 10.632 1.738 0.765 0.462 0.750 0.500 CB 1.074 21 residues pruned to eliminate duplicates Z: 9 11.350 1.785 0.683 0.888 0.875 0.375 CB 1.100 10 residues pruned to eliminate duplicates Z: 9 8.018 1.752 0.209 0.876 1.000 0.750 CB 0.973 9 residues pruned to eliminate duplicates Z: 8 18.875 1.939 1.148 0.888 0.857 0.714 CB 1.440 8 residues pruned to eliminate duplicates Z: 15 12.394 1.811 0.388 0.831 0.786 0.500 CB 1.260 15 residues pruned to eliminate duplicates Z: 17 22.805 1.828 0.793 0.928 1.000 0.500 CB 1.218 17 residues pruned to eliminate duplicates Z: 9 6.691 1.477 0.238 0.850 1.000 0.750 CB 0.958 8 residues pruned to eliminate duplicates Z: 18 12.660 1.898 0.579 0.427 0.882 0.412 CB 1.253 18 residues pruned to eliminate duplicates Z: 11 11.371 1.597 0.471 0.801 1.000 0.500 CB 1.176 11 residues pruned to eliminate duplicates Z: 8 3.788 1.421 0.495 0.279 0.857 0.429 N 1.009 Z: 35 25.356 1.973 0.845 0.591 0.912 0.676 CB 1.201 35 residues pruned to eliminate duplicates Z: 7 8.595 1.774 0.342 0.803 1.000 0.833 CB 1.131 7 residues pruned to eliminate duplicates Z: 23 39.366 2.065 1.124 0.935 1.000 0.591 CB 1.333 23 residues pruned to eliminate duplicates Z: 10 2.456 1.447 0.211 0.385 0.667 0.333 CB 0.792 Z: 17 20.822 1.987 0.904 0.725 0.938 0.875 CA 1.198 17 residues pruned to eliminate duplicates Z: 14 22.632 1.816 0.784 0.899 1.000 0.846 CA 1.384 14 residues pruned to eliminate duplicates Z: 24 10.524 1.770 0.435 0.494 0.826 0.609 CB 1.053 24 residues pruned to eliminate duplicates Z: 6 8.886 1.842 0.898 0.867 1.000 1.000 CB 0.831 6 residues pruned to eliminate duplicates Z: 8 10.354 1.841 0.451 0.559 1.000 0.714 CA 1.383 9 residues pruned to eliminate duplicates Z: 13 13.360 1.866 0.504 0.854 1.000 0.917 CB 1.014 13 residues pruned to eliminate duplicates Z: 7 3.205 1.641 -0.058 0.408 0.833 0.667 CB 1.119 7 residues pruned to eliminate duplicates Z: 16 13.168 1.627 0.733 0.697 0.867 0.667 CB 1.162 13 residues pruned to eliminate duplicates Z: 17 18.797 1.827 0.620 0.906 0.938 0.688 CB 1.205 17 residues pruned to eliminate duplicates Z: 8 6.884 1.836 0.301 0.671 0.714 0.714 CB 1.302 Z: 25 24.406 1.922 0.862 0.664 0.958 0.750 CB 1.248 25 residues pruned to eliminate duplicates Z: 8 11.426 1.628 0.644 0.844 1.000 0.714 CA 1.201 8 residues pruned to eliminate duplicates Z: 26 12.436 1.655 0.407 0.520 0.960 0.640 CA 1.090 18 residues pruned to eliminate duplicates Z: 6 7.113 1.874 -0.039 0.848 1.000 0.800 CB 1.311 6 residues pruned to eliminate duplicates Z: 8 3.108 1.492 -0.381 0.520 1.000 0.571 C 1.247 7 residues pruned to eliminate duplicates Z: 11 9.724 1.700 0.183 0.877 1.000 0.900 CA 1.110 10 residues pruned to eliminate duplicates Z: 47 35.013 2.011 0.966 0.731 0.870 0.478 CB 1.220 47 residues pruned to eliminate duplicates Z: 11 12.427 1.657 0.323 0.904 1.000 0.800 CA 1.277 11 residues pruned to eliminate duplicates Z: 20 19.741 1.958 0.986 0.499 0.895 0.526 CB 1.302 21 residues pruned to eliminate duplicates Z: 14 21.175 1.993 0.807 0.837 1.000 1.000 CA 1.219 14 residues pruned to eliminate duplicates Z: 9 6.665 1.673 0.549 0.422 0.875 0.625 CA 1.128 Z: 16 16.236 2.034 0.597 0.587 0.933 0.600 CB 1.272 16 residues pruned to eliminate duplicates Z: 13 19.430 1.940 0.819 0.898 1.000 0.750 CB 1.137 13 residues pruned to eliminate duplicates Z: 25 33.734 2.116 0.849 0.934 1.000 0.583 CB 1.227 25 residues pruned to eliminate duplicates Z: 10 16.922 1.781 0.784 0.920 1.000 0.778 CB 1.250 10 residues pruned to eliminate duplicates Z: 6 3.932 1.846 0.770 0.668 0.600 0.400 CB 0.768 Z: 11 8.539 1.856 0.811 0.422 0.800 0.600 CA 1.089 11 residues pruned to eliminate duplicates Z: 12 11.083 1.738 0.632 0.458 0.909 0.545 CA 1.353 12 residues pruned to eliminate duplicates Z: 12 21.864 2.079 0.923 0.884 1.000 0.545 CA 1.191 12 residues pruned to eliminate duplicates Z: 18 20.269 1.817 0.815 0.861 0.882 0.588 CB 1.241 18 residues pruned to eliminate duplicates Z: 17 15.944 1.777 0.386 0.858 1.000 0.750 CB 1.192 17 residues pruned to eliminate duplicates Z: 63 50.202 2.035 1.089 0.745 0.935 0.565 CB 1.288 63 residues pruned to eliminate duplicates Z: 11 19.050 1.965 1.078 0.836 0.900 0.700 CB 1.227 13 residues pruned to eliminate duplicates Z: 8 11.109 1.633 0.516 0.885 1.000 0.714 CA 1.224 8 residues pruned to eliminate duplicates Z: 13 5.942 1.611 0.249 0.623 0.833 0.333 CB 0.911 17 residues pruned to eliminate duplicates Z: 10 8.309 1.594 0.287 0.912 1.000 0.889 CA 0.957 10 residues pruned to eliminate duplicates Z: 9 10.056 1.544 0.556 0.876 1.000 0.750 CB 1.075 9 residues pruned to eliminate duplicates Z: 7 6.184 1.588 0.312 0.890 1.000 1.000 CB 0.871 7 residues pruned to eliminate duplicates Z: 7 12.262 2.039 0.210 0.770 1.000 0.667 CB 1.598 7 residues pruned to eliminate duplicates Z: 18 11.501 1.828 0.798 0.329 0.765 0.471 CB 1.339 18 residues pruned to eliminate duplicates Z: 25 22.568 2.025 0.566 0.571 0.917 0.500 CA 1.479 25 residues pruned to eliminate duplicates Z: 6 7.999 1.803 0.480 0.842 1.000 0.800 CB 0.999 6 residues pruned to eliminate duplicates Z: 7 7.872 1.665 0.434 0.705 1.000 0.833 CA 1.118 6 residues pruned to eliminate duplicates Z: 10 5.768 1.641 0.430 0.517 0.889 0.444 CB 0.907 9 residues pruned to eliminate duplicates Z: 10 10.548 1.702 0.807 0.806 0.778 0.444 CB 1.125 10 residues pruned to eliminate duplicates Z: 10 8.568 1.531 0.394 0.849 0.889 0.667 CA 1.116 10 residues pruned to eliminate duplicates Z: 37 20.513 1.731 0.891 0.555 0.861 0.444 CB 1.149 32 residues pruned to eliminate duplicates Z: 8 11.234 1.897 0.301 0.764 1.000 0.429 CA 1.361 8 residues pruned to eliminate duplicates Z: 11 7.280 1.690 0.298 0.882 0.800 0.400 CB 0.949 11 residues pruned to eliminate duplicates Z: 11 7.470 1.651 0.663 0.453 0.800 0.800 CB 1.128 9 residues pruned to eliminate duplicates Z: 8 3.745 1.518 0.039 0.532 0.857 0.571 N 1.015 7 residues pruned to eliminate duplicates Z: 11 15.057 1.673 0.661 0.861 1.000 0.800 CA 1.259 11 residues pruned to eliminate duplicates Z: 6 3.888 1.637 0.269 0.462 0.800 0.600 CB 1.088 6 residues pruned to eliminate duplicates Z: 16 26.963 1.896 1.094 0.870 1.000 0.600 CB 1.280 16 residues pruned to eliminate duplicates Z: 14 17.672 1.759 0.558 0.913 1.000 0.923 CA 1.266 14 residues pruned to eliminate duplicates Z: 10 7.208 1.395 0.385 0.827 0.889 0.556 CB 1.055 10 residues pruned to eliminate duplicates Z: 6 3.362 1.573 0.009 0.396 1.000 0.600 CB 1.057 Z: 6 3.346 1.597 0.525 0.430 0.600 0.600 CA 1.101 6 residues pruned to eliminate duplicates Z: 15 16.531 1.948 0.672 0.822 0.857 0.643 CB 1.196 15 residues pruned to eliminate duplicates Z: 17 24.551 2.018 0.835 0.748 1.000 0.812 CA 1.328 17 residues pruned to eliminate duplicates Z: 8 3.366 1.464 0.279 0.590 0.857 0.714 CB 0.727 Z: 19 9.994 1.641 0.715 0.535 0.778 0.389 CB 1.039 19 residues pruned to eliminate duplicates Z: 6 3.208 1.464 0.603 0.499 0.800 0.600 O 0.765 Z: 9 6.367 1.654 0.378 0.362 1.000 0.375 CB 1.146 9 residues pruned to eliminate duplicates Z: 14 21.254 2.006 0.778 0.901 0.923 0.308 CB 1.278 14 residues pruned to eliminate duplicates Z: 10 8.954 1.623 0.511 0.858 0.778 0.222 CA 1.153 10 residues pruned to eliminate duplicates Z: 11 16.604 1.735 0.825 0.921 1.000 0.900 CB 1.166 11 residues pruned to eliminate duplicates Z: 6 8.014 1.644 0.686 0.776 0.800 0.400 CB 1.267 6 residues pruned to eliminate duplicates Z: 9 3.568 1.614 0.118 0.449 0.750 0.625 CB 0.982 9 residues pruned to eliminate duplicates Z: 9 7.914 1.599 0.725 0.693 0.875 0.625 CA 0.972 9 residues pruned to eliminate duplicates Z: 11 12.452 1.686 0.455 0.873 1.000 0.600 CB 1.169 11 residues pruned to eliminate duplicates Z: 10 9.119 1.619 0.663 0.824 1.000 0.667 CA 0.853 10 residues pruned to eliminate duplicates Z: 23 9.956 1.762 0.408 0.506 0.773 0.364 CB 1.101 23 residues pruned to eliminate duplicates Z: 8 8.214 1.520 0.605 0.473 1.000 0.429 C 1.308 8 residues pruned to eliminate duplicates Z: 17 25.736 2.155 0.702 0.916 0.938 0.688 CB 1.321 17 residues pruned to eliminate duplicates Z: 38 29.835 1.880 0.820 0.709 0.946 0.703 CB 1.253 38 residues pruned to eliminate duplicates Z: 7 4.918 1.379 0.586 0.470 0.833 0.500 CB 1.136 Z: 62 44.304 2.007 1.024 0.692 0.934 0.541 CB 1.254 65 residues pruned to eliminate duplicates Z: 26 27.363 2.015 0.567 0.879 1.000 0.560 CB 1.257 26 residues pruned to eliminate duplicates Z: 27 12.852 1.710 0.527 0.411 0.808 0.538 CB 1.311 27 residues pruned to eliminate duplicates Z: 6 3.578 1.454 0.260 0.542 0.800 0.400 CA 1.048 Z: 10 11.369 1.740 0.423 0.867 1.000 0.778 CB 1.119 10 residues pruned to eliminate duplicates Z: 15 23.334 1.919 0.832 0.923 1.000 0.929 CA 1.246 15 residues pruned to eliminate duplicates Z: 20 18.795 1.882 0.739 0.493 0.947 0.684 CB 1.401 20 residues pruned to eliminate duplicates Z: 7 2.450 1.249 0.915 0.266 0.667 0.500 C 0.819 Z: 7 9.526 1.785 0.362 0.815 1.000 0.833 CB 1.217 7 residues pruned to eliminate duplicates Z: 11 15.092 1.808 0.639 0.792 1.000 0.600 CA 1.247 10 residues pruned to eliminate duplicates Z: 6 2.117 1.526 0.090 0.280 0.600 0.400 O 1.217 Z: 9 3.886 1.527 0.238 0.462 0.750 0.625 CA 1.008 9 residues pruned to eliminate duplicates Z: 59 42.615 2.000 0.908 0.774 0.931 0.569 CB 1.236 59 residues pruned to eliminate duplicates Z: 8 3.819 1.724 0.243 0.293 0.857 0.571 CA 0.991 8 residues pruned to eliminate duplicates Z: 24 29.438 2.105 0.615 0.945 0.957 0.913 CB 1.307 24 residues pruned to eliminate duplicates Z: 8 3.397 1.411 0.677 0.493 1.000 0.571 CA 0.547 8 residues pruned to eliminate duplicates Z: 11 7.430 1.462 0.352 0.908 1.000 0.800 CB 0.844 9 residues pruned to eliminate duplicates Z: 14 12.175 1.839 0.385 0.509 1.000 0.769 CA 1.313 14 residues pruned to eliminate duplicates Z: 17 10.945 1.732 0.778 0.518 0.875 0.438 CB 0.997 17 residues pruned to eliminate duplicates Z: 8 6.118 1.583 0.071 0.903 1.000 0.714 CB 0.972 8 residues pruned to eliminate duplicates Z: 6 3.692 1.736 -0.197 0.638 0.800 0.800 CB 1.301 6 residues pruned to eliminate duplicates Z: 14 26.581 2.095 0.715 0.909 1.000 0.923 CB 1.456 14 residues pruned to eliminate duplicates Z: 11 12.467 1.760 0.688 0.734 0.900 0.500 CB 1.195 11 residues pruned to eliminate duplicates Z: 8 5.460 1.539 0.018 0.633 0.857 0.571 CB 1.357 7 residues pruned to eliminate duplicates Z: 9 9.176 1.764 0.317 0.896 1.000 0.750 CB 1.001 11 residues pruned to eliminate duplicates Z: 14 21.069 2.038 0.714 0.803 0.923 0.846 CA 1.391 14 residues pruned to eliminate duplicates Z: 12 14.386 1.853 0.974 0.892 0.909 0.455 CB 0.937 12 residues pruned to eliminate duplicates Z: 8 8.539 1.811 0.738 0.448 0.714 0.714 N 1.514 8 residues pruned to eliminate duplicates Z: 6 4.141 1.567 0.268 0.581 0.800 0.400 CB 1.077 6 residues pruned to eliminate duplicates Z: 13 14.273 1.994 0.253 0.841 1.000 0.917 CA 1.230 13 residues pruned to eliminate duplicates Z: 25 17.166 1.856 0.610 0.571 0.958 0.583 CB 1.143 25 residues pruned to eliminate duplicates Z: 21 30.573 2.024 0.929 0.913 1.000 0.600 CB 1.239 21 residues pruned to eliminate duplicates Z: 14 26.748 2.068 0.835 0.903 1.000 0.692 CB 1.393 14 residues pruned to eliminate duplicates Z: 7 7.829 1.612 0.358 0.872 1.000 1.000 CB 1.065 7 residues pruned to eliminate duplicates Z: 10 9.040 1.613 0.191 0.849 1.000 0.889 CA 1.163 10 residues pruned to eliminate duplicates Z: 16 6.398 1.582 0.445 0.335 0.867 0.600 CB 0.999 Z: 12 13.886 2.035 0.447 0.870 0.909 0.727 CB 1.142 12 residues pruned to eliminate duplicates Z: 10 8.619 1.641 0.442 0.556 1.000 0.556 CA 1.150 10 residues pruned to eliminate duplicates Z: 13 7.076 1.592 0.497 0.406 0.917 0.833 CB 1.031 13 residues pruned to eliminate duplicates Z: 8 12.247 1.756 0.515 0.839 1.000 0.857 CA 1.300 8 residues pruned to eliminate duplicates Z: 15 11.288 1.827 0.561 0.519 0.857 0.643 CB 1.211 15 residues pruned to eliminate duplicates Z: 34 26.178 1.955 0.586 0.807 0.939 0.788 CB 1.197 34 residues pruned to eliminate duplicates Z: 11 2.350 1.365 0.175 0.241 0.700 0.200 N 0.893 11 residues pruned to eliminate duplicates Z: 12 3.149 1.667 0.380 0.135 0.727 0.455 CB 0.894 12 residues pruned to eliminate duplicates Z: 11 8.081 1.730 0.465 0.459 1.000 0.900 CB 1.051 11 residues pruned to eliminate duplicates Z: 13 20.093 1.925 0.924 0.884 0.833 0.833 CB 1.358 13 residues pruned to eliminate duplicates Z: 10 11.075 1.705 0.524 0.871 1.000 0.444 CB 1.036 10 residues pruned to eliminate duplicates Z: 8 2.345 1.461 0.488 0.276 0.571 0.571 CB 0.920 5 residues pruned to eliminate duplicates Z: 7 3.181 1.655 -0.036 0.346 0.833 0.333 CA 1.155 7 residues pruned to eliminate duplicates Z: 28 22.176 1.841 0.595 0.810 0.926 0.778 CB 1.198 28 residues pruned to eliminate duplicates Z: 16 7.429 1.573 0.362 0.431 0.933 0.467 CA 1.031 10 residues pruned to eliminate duplicates Z: 30 19.377 1.715 0.855 0.668 0.862 0.517 CB 1.124 30 residues pruned to eliminate duplicates Z: 29 15.658 1.706 0.592 0.623 0.929 0.429 CB 1.045 29 residues pruned to eliminate duplicates Z: 8 3.142 1.481 -0.028 0.558 0.857 0.571 CB 0.910 7 residues pruned to eliminate duplicates Z: 11 4.292 1.561 0.384 0.217 0.900 0.600 CB 0.974 10 residues pruned to eliminate duplicates Z: 7 8.062 1.650 0.273 0.884 1.000 1.000 CB 1.132 7 residues pruned to eliminate duplicates 6 1.925 1.245 0.808 0.297 0.600 0.400 O 0.800 ? Z: 6 2.643 1.477 -0.272 0.658 1.000 0.800 N 0.950 7 1.983 1.261 0.539 0.260 0.667 0.333 N 0.823 ? Z: 15 15.528 1.915 0.655 0.560 1.000 0.714 CA 1.236 15 residues pruned to eliminate duplicates 6 1.859 1.260 0.718 0.705 0.800 0.600 CB 0.398 ? Z: 13 15.944 1.967 0.925 0.795 0.833 0.833 CB 1.126 13 residues pruned to eliminate duplicates 557 residues left after pruning, divided into chains as follows: A: 18 B: 8 C: 12 D: 13 E: 15 F: 12 G: 6 H: 18 I: 13 J: 17 K: 13 L: 69 M: 25 N: 13 O: 51 P: 52 Q: 118 R: 15 S: 11 T: 45 U: 13 CC for partial structure against native data = 39.68 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.359, Connect. = 0.706 for dens.mod. cycle 1 = 0.300, Contrast = 0.415, Connect. = 0.730 for dens.mod. cycle 2 = 0.300, Contrast = 0.503, Connect. = 0.760 for dens.mod. cycle 3 = 0.300, Contrast = 0.516, Connect. = 0.762 for dens.mod. cycle 4 = 0.300, Contrast = 0.529, Connect. = 0.764 for dens.mod. cycle 5 = 0.300, Contrast = 0.537, Connect. = 0.765 for dens.mod. cycle 6 = 0.300, Contrast = 0.545, Connect. = 0.767 for dens.mod. cycle 7 = 0.300, Contrast = 0.551, Connect. = 0.768 for dens.mod. cycle 8 = 0.300, Contrast = 0.555, Connect. = 0.769 for dens.mod. cycle 9 = 0.300, Contrast = 0.558, Connect. = 0.769 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2780 peaks > 0.5 sigma used to seed fragment search Space for about 670 unique residues taking solvent into account 672 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 22.441 2.041 0.236 0.931 1.000 1.000 CB 1.390 B: 21 31.825 2.116 0.768 0.929 0.950 0.850 CB 1.401 21 residues pruned to eliminate duplicates C: 23 26.888 2.085 0.448 0.900 1.000 0.818 CA 1.356 D: 10 17.469 2.216 0.719 0.913 0.889 0.889 CB 1.216 E: 8 14.993 2.186 0.535 0.898 0.857 0.714 CB 1.409 F: 23 33.950 2.169 0.696 0.884 0.955 0.636 CB 1.490 23 residues pruned to eliminate duplicates G: 9 15.196 2.072 0.470 0.857 1.000 0.750 CA 1.299 8 residues pruned to eliminate duplicates H: 24 34.251 2.160 0.680 0.936 1.000 0.609 CB 1.370 I: 26 23.655 2.097 0.410 0.906 0.880 0.560 CA 1.293 25 residues pruned to eliminate duplicates J: 23 38.457 2.152 0.907 0.926 0.955 0.773 CB 1.468 23 residues pruned to eliminate duplicates K: 8 14.579 2.143 0.311 0.854 1.000 1.000 CA 1.449 8 residues pruned to eliminate duplicates L: 23 31.718 2.128 0.855 0.916 1.000 0.591 CB 1.209 M: 12 14.281 2.163 0.006 0.889 1.000 0.909 CB 1.425 N: 18 15.086 1.940 0.338 0.881 0.941 0.706 CB 1.084 O: 18 23.621 1.963 0.619 0.832 1.000 0.824 CB 1.353 P: 26 28.615 2.109 0.503 0.903 0.960 0.680 CA 1.340 26 residues pruned to eliminate duplicates Q: 21 34.434 2.130 0.788 0.929 1.000 0.800 CB 1.415 21 residues pruned to eliminate duplicates R: 24 28.750 2.156 0.477 0.931 1.000 0.826 CB 1.315 24 residues pruned to eliminate duplicates S: 14 20.042 2.096 0.688 0.813 0.923 0.692 CB 1.296 14 residues pruned to eliminate duplicates T: 10 21.326 2.252 0.703 0.898 1.000 1.000 CB 1.326 10 residues pruned to eliminate duplicates U: 12 19.261 2.293 0.396 0.925 0.909 0.727 CB 1.401 9 residues pruned to eliminate duplicates V: 12 22.410 1.882 0.822 0.867 1.000 0.727 CA 1.441 W: 26 27.125 2.069 0.582 0.907 0.880 0.320 CB 1.339 26 residues pruned to eliminate duplicates X: 12 33.323 2.075 1.130 0.924 1.000 0.909 CB 1.596 Y: 17 24.799 2.174 0.598 0.903 0.938 0.938 CA 1.357 17 residues pruned to eliminate duplicates Z: 10 24.135 2.013 0.944 0.846 1.000 0.889 CA 1.527 11 residues pruned to eliminate duplicates Z: 14 22.998 2.030 0.483 0.926 1.000 0.846 CB 1.485 14 residues pruned to eliminate duplicates Z: 10 12.392 2.199 0.316 0.884 1.000 0.889 CA 1.032 Z: 15 23.588 1.956 0.709 0.877 1.000 0.714 CB 1.369 15 residues pruned to eliminate duplicates Z: 23 31.674 2.119 0.639 0.919 0.955 0.864 CB 1.435 23 residues pruned to eliminate duplicates Z: 13 16.621 2.102 0.411 0.925 1.000 1.000 CA 1.135 10 residues pruned to eliminate duplicates Z: 23 35.190 2.140 0.774 0.921 0.955 0.727 CB 1.457 23 residues pruned to eliminate duplicates Z: 17 22.394 2.030 0.518 0.861 1.000 0.750 CB 1.335 12 residues pruned to eliminate duplicates Z: 25 28.306 2.128 0.504 0.908 1.000 0.792 CB 1.283 25 residues pruned to eliminate duplicates Z: 11 18.030 2.100 0.368 0.895 1.000 0.800 CB 1.422 11 residues pruned to eliminate duplicates Z: 26 25.887 2.120 0.386 0.913 0.920 0.720 CA 1.356 26 residues pruned to eliminate duplicates Z: 20 33.859 2.180 0.864 0.944 0.947 0.684 CB 1.398 20 residues pruned to eliminate duplicates Z: 13 22.217 2.162 0.598 0.890 1.000 0.917 CA 1.335 13 residues pruned to eliminate duplicates Z: 21 28.241 2.122 0.456 0.923 1.000 0.900 CB 1.436 21 residues pruned to eliminate duplicates Z: 10 6.583 1.855 0.072 0.723 0.778 0.667 CA 1.159 9 residues pruned to eliminate duplicates Z: 25 24.207 2.083 0.479 0.869 0.958 0.792 CB 1.222 25 residues pruned to eliminate duplicates Z: 21 32.193 2.136 0.688 0.944 1.000 0.900 CB 1.383 21 residues pruned to eliminate duplicates Z: 18 18.572 1.917 0.480 0.813 0.941 0.647 CB 1.284 18 residues pruned to eliminate duplicates Z: 12 22.387 2.063 0.601 0.891 1.000 0.727 CB 1.470 Z: 16 21.546 2.003 0.565 0.893 1.000 0.733 CB 1.274 16 residues pruned to eliminate duplicates Z: 17 22.563 1.946 0.702 0.897 0.938 0.875 CB 1.300 18 residues pruned to eliminate duplicates Z: 13 24.274 2.088 0.966 0.874 0.917 0.667 CB 1.355 Z: 6 15.790 2.104 0.687 0.855 1.000 1.000 CB 1.468 Z: 25 30.492 2.114 0.550 0.904 1.000 0.875 CB 1.353 25 residues pruned to eliminate duplicates Z: 22 32.759 2.078 0.755 0.923 1.000 0.857 CB 1.377 21 residues pruned to eliminate duplicates Z: 11 14.392 1.847 0.324 0.875 1.000 0.900 CA 1.353 Z: 12 16.169 1.930 0.582 0.792 1.000 0.545 CA 1.236 10 residues pruned to eliminate duplicates Z: 19 21.953 1.883 0.688 0.825 0.889 0.722 CA 1.383 17 residues pruned to eliminate duplicates Z: 21 34.917 2.144 0.867 0.949 1.000 0.700 CB 1.346 21 residues pruned to eliminate duplicates Z: 11 19.061 1.998 0.456 0.865 1.000 0.700 CA 1.518 11 residues pruned to eliminate duplicates Z: 15 23.707 1.949 0.706 0.901 1.000 0.786 CB 1.360 15 residues pruned to eliminate duplicates Z: 23 35.073 2.131 0.883 0.914 0.909 0.591 CB 1.449 23 residues pruned to eliminate duplicates Z: 24 31.323 2.042 0.886 0.871 0.913 0.696 CB 1.355 24 residues pruned to eliminate duplicates Z: 11 23.323 2.159 0.918 0.883 1.000 0.700 CB 1.287 13 residues pruned to eliminate duplicates Z: 7 12.368 1.860 0.713 0.709 0.833 0.667 CA 1.573 Z: 13 28.228 2.078 0.805 0.928 1.000 0.917 CA 1.521 12 residues pruned to eliminate duplicates Z: 12 22.139 2.179 0.768 0.918 0.909 0.727 CA 1.345 12 residues pruned to eliminate duplicates Z: 22 36.658 2.099 0.936 0.911 1.000 0.857 CB 1.396 22 residues pruned to eliminate duplicates Z: 9 10.428 1.765 0.287 0.810 0.875 0.500 CA 1.416 9 residues pruned to eliminate duplicates Z: 24 22.664 2.009 0.441 0.901 0.957 0.826 CA 1.219 24 residues pruned to eliminate duplicates Z: 14 21.698 1.987 0.819 0.925 1.000 0.923 CA 1.168 14 residues pruned to eliminate duplicates Z: 23 34.761 2.131 0.851 0.911 0.955 0.409 CB 1.395 23 residues pruned to eliminate duplicates Z: 9 14.479 1.813 0.471 0.826 1.000 0.750 CA 1.448 9 residues pruned to eliminate duplicates Z: 8 13.743 2.218 0.392 0.831 0.857 0.714 CA 1.474 8 residues pruned to eliminate duplicates Z: 26 17.310 1.820 0.363 0.711 0.880 0.600 CB 1.310 26 residues pruned to eliminate duplicates Z: 22 37.390 2.178 0.971 0.945 0.905 0.714 CB 1.454 22 residues pruned to eliminate duplicates Z: 22 32.272 2.068 0.894 0.916 1.000 0.810 CB 1.269 22 residues pruned to eliminate duplicates Z: 12 20.290 1.879 0.712 0.832 1.000 0.818 CA 1.428 12 residues pruned to eliminate duplicates Z: 18 21.214 2.006 0.631 0.851 0.941 0.647 CB 1.237 16 residues pruned to eliminate duplicates Z: 10 16.135 1.843 0.606 0.854 1.000 0.889 CA 1.342 10 residues pruned to eliminate duplicates Z: 14 30.749 1.965 1.110 0.908 1.000 0.769 CA 1.461 Z: 22 33.808 2.062 1.027 0.906 0.952 0.619 CB 1.318 22 residues pruned to eliminate duplicates Z: 14 18.443 2.013 0.519 0.774 0.923 0.538 CB 1.423 14 residues pruned to eliminate duplicates Z: 24 29.263 2.202 0.726 0.926 0.913 0.565 CB 1.233 24 residues pruned to eliminate duplicates Z: 23 39.520 2.169 0.844 0.912 1.000 0.636 CB 1.492 23 residues pruned to eliminate duplicates Z: 16 18.279 1.921 0.301 0.882 1.000 0.667 CB 1.366 16 residues pruned to eliminate duplicates Z: 51 27.696 1.947 0.622 0.601 0.900 0.500 CB 1.252 30 residues pruned to eliminate duplicates Z: 22 35.160 2.095 0.913 0.913 0.952 0.476 CB 1.423 21 residues pruned to eliminate duplicates Z: 7 14.103 2.116 0.468 0.820 1.000 0.500 CA 1.405 Z: 18 22.147 2.147 0.674 0.487 0.941 0.412 CB 1.610 10 residues pruned to eliminate duplicates Z: 7 14.341 2.307 0.140 0.902 1.000 0.833 CB 1.588 7 residues pruned to eliminate duplicates Z: 11 17.478 1.827 0.684 0.881 1.000 0.600 CB 1.300 Z: 11 20.181 2.160 0.512 0.933 1.000 0.900 CB 1.364 11 residues pruned to eliminate duplicates Z: 25 29.545 2.118 0.553 0.909 0.958 0.625 CB 1.359 25 residues pruned to eliminate duplicates Z: 17 15.969 1.958 0.213 0.888 1.000 0.875 CB 1.212 17 residues pruned to eliminate duplicates Z: 25 29.437 2.152 0.500 0.902 1.000 0.833 CB 1.328 25 residues pruned to eliminate duplicates Z: 11 23.295 1.794 1.013 0.891 1.000 0.900 CA 1.467 11 residues pruned to eliminate duplicates Z: 16 23.916 1.929 0.853 0.886 1.000 0.800 CA 1.247 14 residues pruned to eliminate duplicates Z: 51 33.013 1.983 0.733 0.633 0.920 0.560 CB 1.303 69 residues pruned to eliminate duplicates Z: 8 10.787 1.903 0.834 0.839 0.857 0.714 CB 1.018 8 residues pruned to eliminate duplicates Z: 6 11.529 1.858 0.563 0.753 1.000 0.800 CA 1.417 6 residues pruned to eliminate duplicates Z: 13 25.426 2.062 0.672 0.914 1.000 0.750 CB 1.506 13 residues pruned to eliminate duplicates Z: 8 4.750 1.662 0.575 0.460 0.857 0.429 CA 0.833 8 residues pruned to eliminate duplicates Z: 13 15.523 1.980 0.379 0.903 0.917 0.917 CB 1.276 13 residues pruned to eliminate duplicates Z: 19 31.966 2.210 0.680 0.940 1.000 0.889 CA 1.410 19 residues pruned to eliminate duplicates Z: 9 12.916 1.840 0.516 0.860 1.000 0.625 CA 1.203 8 residues pruned to eliminate duplicates Z: 9 7.255 1.788 0.664 0.586 0.750 0.500 CB 1.058 Z: 18 14.563 1.851 0.313 0.827 0.882 0.706 CB 1.241 18 residues pruned to eliminate duplicates Z: 22 29.044 2.076 0.648 0.934 0.952 0.667 CB 1.357 22 residues pruned to eliminate duplicates Z: 21 38.914 2.147 0.989 0.936 1.000 0.650 CB 1.419 21 residues pruned to eliminate duplicates Z: 26 26.366 2.091 0.439 0.914 1.000 0.640 CB 1.239 26 residues pruned to eliminate duplicates Z: 12 16.360 1.879 0.576 0.745 0.909 0.636 CB 1.472 11 residues pruned to eliminate duplicates Z: 12 20.954 2.030 0.660 0.890 0.909 0.545 CB 1.484 12 residues pruned to eliminate duplicates Z: 12 10.620 1.847 0.677 0.398 0.909 0.455 CA 1.266 10 residues pruned to eliminate duplicates Z: 22 30.112 2.152 0.595 0.925 0.952 0.714 CA 1.410 22 residues pruned to eliminate duplicates Z: 8 11.121 1.965 0.817 0.397 0.857 0.571 CA 1.531 Z: 11 15.657 1.747 0.459 0.929 1.000 0.700 CB 1.360 Z: 23 37.212 2.153 0.844 0.899 0.955 0.773 CB 1.496 23 residues pruned to eliminate duplicates Z: 18 26.244 2.110 0.838 0.903 0.824 0.235 CA 1.421 17 residues pruned to eliminate duplicates Z: 25 17.780 1.809 0.501 0.540 0.917 0.750 CB 1.402 11 residues pruned to eliminate duplicates Z: 12 26.291 2.047 0.851 0.922 1.000 0.818 CB 1.472 12 residues pruned to eliminate duplicates Z: 12 18.755 2.055 0.756 0.892 0.909 0.636 CB 1.239 12 residues pruned to eliminate duplicates Z: 24 20.776 2.079 0.365 0.908 0.870 0.870 CA 1.246 23 residues pruned to eliminate duplicates Z: 12 24.505 1.856 1.038 0.869 1.000 0.636 CA 1.427 11 residues pruned to eliminate duplicates Z: 16 21.271 2.000 0.565 0.861 1.000 0.800 CB 1.289 16 residues pruned to eliminate duplicates Z: 11 15.855 1.744 0.562 0.902 0.900 0.800 CB 1.459 11 residues pruned to eliminate duplicates Z: 10 19.667 1.947 0.909 0.833 0.889 0.667 CA 1.488 10 residues pruned to eliminate duplicates Z: 18 19.681 1.899 0.524 0.711 0.941 0.765 CB 1.447 15 residues pruned to eliminate duplicates Z: 24 36.030 2.083 0.923 0.886 1.000 0.348 CB 1.353 24 residues pruned to eliminate duplicates Z: 6 6.591 2.017 0.246 0.469 1.000 0.800 CB 1.210 Z: 11 17.779 1.846 0.484 0.872 1.000 0.900 CA 1.495 13 residues pruned to eliminate duplicates Z: 7 11.774 2.150 0.474 0.832 0.833 0.667 CB 1.366 7 residues pruned to eliminate duplicates Z: 16 23.975 2.035 0.571 0.921 1.000 0.733 CB 1.363 18 residues pruned to eliminate duplicates Z: 9 6.518 1.979 0.637 0.250 0.750 0.750 CB 1.266 Z: 14 24.686 2.099 1.035 0.748 0.923 0.692 CA 1.392 Z: 24 30.119 2.191 0.499 0.944 1.000 0.957 CB 1.324 24 residues pruned to eliminate duplicates Z: 18 18.653 2.137 0.480 0.545 0.941 0.588 CB 1.454 8 residues pruned to eliminate duplicates Z: 13 18.794 1.963 0.471 0.911 0.917 0.833 CA 1.452 13 residues pruned to eliminate duplicates Z: 11 12.567 1.736 0.443 0.908 1.000 0.700 CA 1.127 Z: 16 6.247 1.603 0.481 0.304 0.733 0.400 CB 1.152 Z: 25 31.405 2.155 0.527 0.902 1.000 0.708 CB 1.389 26 residues pruned to eliminate duplicates Z: 11 24.570 2.141 0.898 0.914 1.000 0.300 CB 1.352 11 residues pruned to eliminate duplicates Z: 21 31.529 2.103 0.692 0.930 1.000 0.700 CB 1.386 21 residues pruned to eliminate duplicates Z: 23 23.842 2.143 0.346 0.899 0.955 0.636 CA 1.320 23 residues pruned to eliminate duplicates Z: 19 20.783 1.873 0.736 0.810 0.833 0.611 CB 1.380 17 residues pruned to eliminate duplicates Z: 25 24.166 2.070 0.350 0.890 1.000 0.625 CA 1.271 25 residues pruned to eliminate duplicates Z: 19 19.945 1.888 0.368 0.848 1.000 0.833 CB 1.350 19 residues pruned to eliminate duplicates Z: 26 17.106 1.774 0.573 0.543 0.920 0.600 CA 1.277 Z: 12 14.980 2.183 0.260 0.909 1.000 0.909 CA 1.165 12 residues pruned to eliminate duplicates Z: 23 20.388 2.021 0.331 0.894 0.955 0.818 CA 1.214 23 residues pruned to eliminate duplicates Z: 7 12.089 2.011 0.349 0.819 1.000 0.500 CA 1.380 9 residues pruned to eliminate duplicates Z: 44 28.897 1.967 0.394 0.772 0.977 0.744 CB 1.294 26 residues pruned to eliminate duplicates Z: 15 21.579 1.938 0.705 0.890 1.000 0.714 CA 1.255 15 residues pruned to eliminate duplicates Z: 8 6.053 1.652 0.665 0.560 0.857 0.714 CB 0.915 8 residues pruned to eliminate duplicates Z: 14 25.999 2.008 0.697 0.930 1.000 0.692 CA 1.480 14 residues pruned to eliminate duplicates Z: 9 6.123 1.931 -0.161 0.847 0.750 0.500 CB 1.322 9 residues pruned to eliminate duplicates Z: 12 18.438 1.900 0.455 0.919 1.000 0.818 CB 1.417 12 residues pruned to eliminate duplicates Z: 18 22.173 1.958 0.610 0.834 0.941 0.765 CB 1.359 18 residues pruned to eliminate duplicates Z: 13 25.036 1.940 1.167 0.920 0.917 0.583 CB 1.321 13 residues pruned to eliminate duplicates Z: 24 23.921 2.009 0.515 0.898 1.000 0.652 CA 1.172 24 residues pruned to eliminate duplicates Z: 6 2.997 1.436 0.588 0.576 0.800 0.800 CB 0.683 Z: 22 15.762 1.863 0.485 0.529 1.000 0.619 CB 1.208 12 residues pruned to eliminate duplicates Z: 16 20.171 1.968 0.581 0.879 1.000 0.600 CB 1.214 13 residues pruned to eliminate duplicates Z: 28 21.052 1.940 0.712 0.567 0.889 0.481 CA 1.285 22 residues pruned to eliminate duplicates Z: 8 9.913 1.707 0.233 0.871 1.000 0.857 CB 1.298 Z: 16 17.332 1.768 0.656 0.776 0.933 0.400 CA 1.283 16 residues pruned to eliminate duplicates Z: 17 14.596 1.831 0.606 0.571 1.000 0.750 CB 1.159 17 residues pruned to eliminate duplicates Z: 11 16.669 1.851 0.486 0.863 1.000 0.500 CA 1.406 10 residues pruned to eliminate duplicates Z: 18 29.259 2.168 0.760 0.904 1.000 0.706 CB 1.324 18 residues pruned to eliminate duplicates Z: 25 32.225 2.129 0.681 0.932 0.958 0.708 CA 1.339 25 residues pruned to eliminate duplicates Z: 11 6.433 1.650 0.456 0.398 0.900 0.500 CB 1.048 7 residues pruned to eliminate duplicates Z: 11 9.768 1.742 0.145 0.776 0.900 0.700 CA 1.349 11 residues pruned to eliminate duplicates Z: 14 24.786 1.976 0.746 0.914 1.000 0.538 CB 1.410 14 residues pruned to eliminate duplicates Z: 8 10.783 1.699 0.486 0.876 1.000 0.571 CB 1.173 8 residues pruned to eliminate duplicates Z: 13 25.674 1.936 0.984 0.927 1.000 0.333 CB 1.352 13 residues pruned to eliminate duplicates Z: 9 18.922 1.951 0.669 0.879 1.000 0.750 CA 1.490 9 residues pruned to eliminate duplicates Z: 19 11.972 1.839 0.514 0.504 0.833 0.500 CB 1.212 6 residues pruned to eliminate duplicates Z: 13 22.051 2.064 0.852 0.874 0.917 0.833 CB 1.322 13 residues pruned to eliminate duplicates Z: 12 23.804 1.950 1.074 0.863 1.000 0.818 CB 1.302 12 residues pruned to eliminate duplicates Z: 27 22.578 1.915 0.454 0.742 0.962 0.731 CB 1.332 27 residues pruned to eliminate duplicates Z: 16 21.729 1.915 0.624 0.734 1.000 0.933 CA 1.463 16 residues pruned to eliminate duplicates Z: 13 24.663 2.027 0.712 0.913 1.000 0.917 CB 1.452 13 residues pruned to eliminate duplicates Z: 15 25.594 1.973 0.928 0.890 1.000 0.571 CB 1.294 15 residues pruned to eliminate duplicates Z: 29 23.813 1.905 0.481 0.742 0.964 0.679 CB 1.332 29 residues pruned to eliminate duplicates Z: 11 14.492 1.946 0.372 0.809 1.000 0.500 CA 1.312 Z: 17 21.391 1.916 0.549 0.896 1.000 0.562 CB 1.291 17 residues pruned to eliminate duplicates Z: 11 9.904 1.755 0.114 0.852 1.000 0.900 CA 1.185 11 residues pruned to eliminate duplicates Z: 19 22.234 2.135 0.814 0.512 0.889 0.333 CA 1.504 19 residues pruned to eliminate duplicates Z: 13 24.813 2.100 0.720 0.917 1.000 0.917 CA 1.400 13 residues pruned to eliminate duplicates Z: 23 16.192 2.002 0.470 0.618 0.864 0.636 CB 1.215 16 residues pruned to eliminate duplicates Z: 10 14.591 1.940 0.517 0.799 0.889 0.667 CA 1.431 10 residues pruned to eliminate duplicates Z: 11 13.694 1.813 0.344 0.864 0.900 0.700 CB 1.447 11 residues pruned to eliminate duplicates Z: 13 29.871 2.053 0.983 0.929 1.000 0.917 CB 1.482 13 residues pruned to eliminate duplicates Z: 23 33.377 2.101 0.882 0.891 0.909 0.364 CB 1.423 23 residues pruned to eliminate duplicates Z: 10 25.353 2.135 0.771 0.929 1.000 0.778 CA 1.564 10 residues pruned to eliminate duplicates Z: 14 24.247 1.946 0.938 0.879 1.000 0.846 CB 1.293 14 residues pruned to eliminate duplicates Z: 21 35.810 2.138 0.770 0.943 1.000 0.850 CB 1.466 21 residues pruned to eliminate duplicates Z: 17 25.080 2.010 0.542 0.893 1.000 0.750 CB 1.451 17 residues pruned to eliminate duplicates Z: 22 28.984 2.055 0.802 0.931 0.952 0.619 CB 1.253 22 residues pruned to eliminate duplicates Z: 12 19.804 2.138 0.456 0.904 1.000 0.818 CB 1.367 12 residues pruned to eliminate duplicates Z: 24 29.069 2.151 0.496 0.929 0.957 0.696 CA 1.378 24 residues pruned to eliminate duplicates Z: 16 22.951 2.061 0.718 0.882 0.933 0.533 CB 1.297 16 residues pruned to eliminate duplicates Z: 11 12.476 1.867 0.530 0.754 0.900 0.800 CA 1.224 11 residues pruned to eliminate duplicates Z: 17 9.075 1.903 0.565 0.506 0.812 0.312 CB 0.932 15 residues pruned to eliminate duplicates Z: 18 25.875 1.962 0.602 0.909 1.000 0.647 CB 1.418 19 residues pruned to eliminate duplicates Z: 14 19.346 2.004 0.415 0.922 1.000 1.000 CA 1.331 14 residues pruned to eliminate duplicates Z: 12 23.045 1.862 0.906 0.861 1.000 0.727 CB 1.438 12 residues pruned to eliminate duplicates Z: 25 24.714 2.110 0.421 0.900 1.000 0.833 CB 1.202 25 residues pruned to eliminate duplicates Z: 11 16.713 1.813 0.572 0.847 1.000 0.800 CA 1.377 11 residues pruned to eliminate duplicates Z: 14 23.394 2.001 0.793 0.873 1.000 0.615 CB 1.317 21 residues pruned to eliminate duplicates Z: 7 5.409 1.938 0.696 0.359 0.833 0.667 CB 0.939 7 residues pruned to eliminate duplicates Z: 22 18.214 1.801 0.597 0.582 0.952 0.571 CB 1.341 22 residues pruned to eliminate duplicates Z: 12 10.339 1.783 0.021 0.884 1.000 0.909 CA 1.238 12 residues pruned to eliminate duplicates Z: 21 29.208 2.084 0.610 0.948 0.950 0.900 CA 1.416 21 residues pruned to eliminate duplicates Z: 44 30.100 1.999 0.531 0.744 0.977 0.535 CB 1.235 25 residues pruned to eliminate duplicates Z: 13 19.561 2.091 0.290 0.923 1.000 0.750 CA 1.471 13 residues pruned to eliminate duplicates Z: 14 20.656 1.894 0.775 0.905 1.000 1.000 CA 1.213 14 residues pruned to eliminate duplicates Z: 13 15.465 1.960 0.727 0.816 0.917 0.583 CB 1.093 13 residues pruned to eliminate duplicates Z: 9 10.688 1.688 0.749 0.881 1.000 0.750 CB 0.927 9 residues pruned to eliminate duplicates Z: 24 18.806 2.048 0.151 0.904 0.957 0.870 CA 1.239 24 residues pruned to eliminate duplicates Z: 14 26.500 1.927 0.922 0.872 1.000 0.538 CA 1.446 14 residues pruned to eliminate duplicates Z: 14 28.767 1.985 0.989 0.938 1.000 1.000 CB 1.405 14 residues pruned to eliminate duplicates Z: 11 21.153 1.991 0.606 0.901 1.000 0.800 CA 1.493 11 residues pruned to eliminate duplicates Z: 11 16.107 1.801 0.395 0.906 1.000 0.800 CB 1.442 11 residues pruned to eliminate duplicates Z: 13 18.327 1.941 0.665 0.895 0.917 0.667 CA 1.280 13 residues pruned to eliminate duplicates Z: 25 28.554 2.108 0.674 0.614 0.917 0.500 CB 1.618 27 residues pruned to eliminate duplicates Z: 17 21.236 1.974 0.456 0.896 1.000 0.688 CB 1.323 17 residues pruned to eliminate duplicates Z: 6 2.875 1.506 0.029 0.326 1.000 0.600 CB 1.005 Z: 11 14.413 1.778 0.263 0.898 1.000 0.900 CA 1.452 11 residues pruned to eliminate duplicates Z: 8 6.948 1.668 0.725 0.276 0.857 0.429 CB 1.371 7 residues pruned to eliminate duplicates Z: 13 20.820 1.950 0.747 0.899 1.000 0.917 CB 1.261 13 residues pruned to eliminate duplicates Z: 25 27.430 2.105 0.428 0.897 1.000 0.750 CA 1.333 25 residues pruned to eliminate duplicates Z: 26 15.951 1.882 0.619 0.624 0.800 0.600 CB 1.164 18 residues pruned to eliminate duplicates Z: 11 17.509 1.895 0.591 0.868 1.000 0.800 CB 1.342 11 residues pruned to eliminate duplicates Z: 11 16.517 1.905 0.616 0.817 1.000 0.800 CB 1.289 11 residues pruned to eliminate duplicates Z: 47 33.230 2.023 0.452 0.711 0.978 0.717 CB 1.407 47 residues pruned to eliminate duplicates Z: 49 31.173 1.979 0.468 0.708 0.979 0.750 CB 1.309 49 residues pruned to eliminate duplicates Z: 21 22.997 2.037 0.810 0.609 0.850 0.600 CB 1.480 21 residues pruned to eliminate duplicates Z: 12 28.778 2.105 1.237 0.887 1.000 0.545 CB 1.328 12 residues pruned to eliminate duplicates Z: 12 21.564 1.932 0.948 0.888 0.909 0.545 CA 1.369 12 residues pruned to eliminate duplicates Z: 21 30.207 2.058 0.710 0.933 1.000 0.700 CB 1.340 21 residues pruned to eliminate duplicates Z: 7 10.443 2.091 0.501 0.378 1.000 0.667 CA 1.547 7 residues pruned to eliminate duplicates Z: 8 17.595 1.993 0.889 0.878 0.857 0.714 CA 1.496 8 residues pruned to eliminate duplicates Z: 23 37.731 2.108 1.013 0.918 0.955 0.727 CB 1.401 23 residues pruned to eliminate duplicates Z: 21 34.861 2.124 1.197 0.938 0.900 0.450 CB 1.290 21 residues pruned to eliminate duplicates Z: 17 6.689 1.648 0.424 0.341 0.812 0.438 CB 1.043 17 residues pruned to eliminate duplicates Z: 24 19.217 2.014 0.480 0.488 0.957 0.478 CA 1.423 24 residues pruned to eliminate duplicates Z: 13 19.571 2.045 0.600 0.903 0.917 0.917 CB 1.343 13 residues pruned to eliminate duplicates Z: 10 16.196 1.724 0.712 0.780 1.000 0.556 CB 1.429 12 residues pruned to eliminate duplicates Z: 14 20.843 1.993 0.664 0.840 1.000 0.769 CA 1.301 14 residues pruned to eliminate duplicates Z: 11 10.765 1.685 0.359 0.812 0.900 0.700 CB 1.259 10 residues pruned to eliminate duplicates Z: 18 24.675 1.932 0.589 0.896 1.000 0.765 CB 1.397 18 residues pruned to eliminate duplicates Z: 23 32.896 2.117 0.705 0.930 1.000 0.818 CB 1.358 23 residues pruned to eliminate duplicates Z: 12 20.305 2.010 0.535 0.938 1.000 0.818 CB 1.381 12 residues pruned to eliminate duplicates Z: 24 26.981 2.138 0.631 0.895 0.913 0.391 CB 1.267 24 residues pruned to eliminate duplicates Z: 26 27.717 2.092 0.791 0.586 0.880 0.560 CA 1.549 25 residues pruned to eliminate duplicates Z: 11 17.337 1.850 0.591 0.902 1.000 0.800 CA 1.329 11 residues pruned to eliminate duplicates Z: 13 27.059 2.027 0.764 0.919 1.000 0.750 CB 1.540 13 residues pruned to eliminate duplicates Z: 25 25.388 2.100 0.768 0.595 0.833 0.417 CB 1.530 27 residues pruned to eliminate duplicates Z: 12 16.408 1.893 0.595 0.711 0.909 0.545 CB 1.489 12 residues pruned to eliminate duplicates Z: 25 28.710 2.098 0.660 0.908 0.958 0.833 CA 1.247 25 residues pruned to eliminate duplicates Z: 11 20.482 1.837 0.794 0.862 1.000 0.800 CA 1.443 11 residues pruned to eliminate duplicates Z: 8 12.646 1.951 0.280 0.872 1.000 1.000 CA 1.395 8 residues pruned to eliminate duplicates Z: 22 29.105 2.087 0.640 0.927 1.000 0.619 CB 1.300 22 residues pruned to eliminate duplicates Z: 26 34.500 2.102 0.720 0.938 0.960 0.320 CB 1.383 26 residues pruned to eliminate duplicates Z: 11 12.934 1.756 0.246 0.849 1.000 0.800 CA 1.385 11 residues pruned to eliminate duplicates Z: 10 18.859 1.951 0.636 0.936 1.000 0.889 CB 1.372 10 residues pruned to eliminate duplicates Z: 11 10.196 1.742 0.313 0.809 1.000 0.700 CA 1.077 11 residues pruned to eliminate duplicates Z: 9 4.682 1.313 0.676 0.570 0.750 0.625 CB 0.937 Z: 10 9.940 1.880 0.016 0.911 1.000 0.778 CB 1.229 10 residues pruned to eliminate duplicates Z: 17 19.008 1.918 0.638 0.829 0.875 0.625 CA 1.301 17 residues pruned to eliminate duplicates Z: 49 29.263 1.940 0.627 0.635 0.896 0.583 CB 1.316 72 residues pruned to eliminate duplicates Z: 11 24.032 1.974 1.066 0.896 1.000 0.900 CA 1.335 11 residues pruned to eliminate duplicates Z: 24 29.669 2.147 0.529 0.939 0.957 0.565 CB 1.369 24 residues pruned to eliminate duplicates Z: 25 25.244 2.018 0.705 0.593 0.875 0.417 CB 1.566 26 residues pruned to eliminate duplicates Z: 6 4.147 1.713 -0.026 0.486 0.800 0.600 CA 1.409 6 residues pruned to eliminate duplicates Z: 17 15.103 1.956 0.190 0.868 1.000 0.375 CB 1.186 17 residues pruned to eliminate duplicates Z: 7 6.857 1.661 0.466 0.889 1.000 0.833 CB 0.828 7 residues pruned to eliminate duplicates Z: 24 39.497 2.114 1.047 0.897 0.957 0.391 CB 1.425 23 residues pruned to eliminate duplicates Z: 11 13.805 1.819 0.437 0.865 1.000 0.700 CB 1.223 11 residues pruned to eliminate duplicates Z: 19 17.066 1.903 0.407 0.791 0.944 0.778 CB 1.233 19 residues pruned to eliminate duplicates Z: 9 10.440 1.804 0.327 0.891 1.000 0.875 CB 1.109 9 residues pruned to eliminate duplicates Z: 11 21.463 1.952 1.033 0.776 1.000 0.600 CB 1.341 17 residues pruned to eliminate duplicates Z: 8 8.132 1.696 0.102 0.905 1.000 0.857 CB 1.170 8 residues pruned to eliminate duplicates Z: 11 14.041 1.734 0.296 0.880 1.000 0.700 CB 1.432 11 residues pruned to eliminate duplicates Z: 13 14.300 1.813 0.615 0.677 0.917 0.667 CB 1.307 13 residues pruned to eliminate duplicates Z: 21 29.837 2.105 0.479 0.951 1.000 0.950 CB 1.478 21 residues pruned to eliminate duplicates Z: 10 13.278 1.864 0.271 0.889 1.000 0.889 CA 1.345 10 residues pruned to eliminate duplicates Z: 25 22.287 1.947 0.606 0.587 0.875 0.458 CA 1.530 25 residues pruned to eliminate duplicates Z: 11 9.941 1.696 0.522 0.682 0.900 0.500 CB 1.144 10 residues pruned to eliminate duplicates Z: 8 6.951 1.843 0.128 0.388 1.000 0.714 CA 1.424 8 residues pruned to eliminate duplicates Z: 22 25.437 2.044 0.441 0.910 1.000 0.857 CA 1.337 22 residues pruned to eliminate duplicates Z: 25 30.216 2.133 0.717 0.906 1.000 0.667 CB 1.198 25 residues pruned to eliminate duplicates Z: 9 10.544 1.844 0.291 0.904 1.000 0.625 CB 1.115 9 residues pruned to eliminate duplicates Z: 18 28.177 2.162 0.619 0.927 1.000 0.882 CB 1.368 18 residues pruned to eliminate duplicates Z: 19 17.775 2.066 0.799 0.523 0.889 0.389 CB 1.239 19 residues pruned to eliminate duplicates Z: 7 17.152 2.197 0.687 0.825 1.000 0.833 CB 1.426 7 residues pruned to eliminate duplicates Z: 33 21.165 2.014 0.596 0.675 0.812 0.562 CB 1.220 21 residues pruned to eliminate duplicates Z: 35 23.285 1.926 0.547 0.680 0.971 0.735 CB 1.170 38 residues pruned to eliminate duplicates Z: 11 14.416 1.763 0.274 0.914 1.000 1.000 CA 1.436 11 residues pruned to eliminate duplicates Z: 24 24.910 2.131 0.356 0.899 1.000 0.739 CB 1.285 24 residues pruned to eliminate duplicates Z: 52 29.675 1.961 0.686 0.622 0.902 0.686 CB 1.242 52 residues pruned to eliminate duplicates Z: 14 7.926 1.646 0.330 0.577 1.000 0.615 CB 0.932 14 residues pruned to eliminate duplicates Z: 11 11.032 1.666 0.324 0.858 1.000 0.800 CA 1.166 11 residues pruned to eliminate duplicates Z: 12 11.120 1.797 0.271 0.806 1.000 0.727 CB 1.124 11 residues pruned to eliminate duplicates Z: 14 28.836 2.069 1.045 0.892 1.000 0.769 CA 1.358 21 residues pruned to eliminate duplicates Z: 8 9.330 1.975 0.602 0.394 0.857 0.714 CA 1.455 8 residues pruned to eliminate duplicates Z: 44 24.779 1.874 0.545 0.675 0.953 0.581 CB 1.165 44 residues pruned to eliminate duplicates Z: 17 21.016 1.949 0.535 0.891 1.000 0.688 CB 1.263 17 residues pruned to eliminate duplicates Z: 7 7.928 1.988 0.144 0.561 1.000 0.833 CB 1.341 Z: 11 9.973 1.764 0.251 0.909 0.900 0.600 CB 1.127 11 residues pruned to eliminate duplicates Z: 24 25.660 2.067 0.558 0.857 0.957 0.739 CB 1.281 24 residues pruned to eliminate duplicates Z: 11 6.186 1.883 0.374 0.268 0.800 0.600 CB 1.231 10 residues pruned to eliminate duplicates Z: 9 15.228 1.838 0.454 0.872 1.000 0.875 CA 1.468 9 residues pruned to eliminate duplicates Z: 10 7.955 1.659 0.140 0.853 1.000 0.778 CA 1.037 10 residues pruned to eliminate duplicates Z: 8 12.395 1.880 0.679 0.844 1.000 0.714 CA 1.105 8 residues pruned to eliminate duplicates Z: 7 11.255 1.818 0.565 0.818 1.000 0.833 CA 1.226 7 residues pruned to eliminate duplicates Z: 14 20.920 1.933 0.649 0.856 1.000 0.462 CB 1.342 14 residues pruned to eliminate duplicates Z: 8 6.184 1.610 0.433 0.712 0.714 0.571 CB 1.170 Z: 13 25.149 2.092 0.816 0.936 0.917 0.833 CA 1.452 13 residues pruned to eliminate duplicates Z: 23 37.990 2.141 0.966 0.919 1.000 0.591 CB 1.355 24 residues pruned to eliminate duplicates Z: 13 30.527 2.012 1.110 0.931 1.000 0.667 CA 1.451 13 residues pruned to eliminate duplicates Z: 8 6.524 1.528 0.283 0.659 1.000 0.571 N 1.085 Z: 13 16.122 1.885 0.685 0.831 0.917 0.583 CB 1.201 13 residues pruned to eliminate duplicates Z: 33 20.649 1.855 0.640 0.700 0.844 0.531 CB 1.186 33 residues pruned to eliminate duplicates Z: 25 25.455 1.993 0.492 0.882 1.000 0.875 CA 1.264 25 residues pruned to eliminate duplicates Z: 9 15.316 1.954 0.486 0.917 1.000 0.875 CB 1.316 9 residues pruned to eliminate duplicates Z: 26 26.026 2.072 0.606 0.880 0.920 0.680 CB 1.232 26 residues pruned to eliminate duplicates Z: 25 32.054 2.114 0.675 0.916 1.000 0.917 CB 1.305 25 residues pruned to eliminate duplicates Z: 12 7.688 1.695 0.405 0.454 0.909 0.545 CB 1.122 12 residues pruned to eliminate duplicates Z: 9 8.543 1.787 0.369 0.555 1.000 0.625 CB 1.171 8 residues pruned to eliminate duplicates Z: 10 22.859 2.183 0.969 0.831 1.000 0.556 CB 1.331 10 residues pruned to eliminate duplicates Z: 8 3.870 1.611 0.056 0.567 0.857 0.571 CB 0.940 5 residues pruned to eliminate duplicates Z: 20 18.977 1.934 0.487 0.621 1.000 0.789 CB 1.351 20 residues pruned to eliminate duplicates Z: 12 9.582 1.726 0.474 0.517 0.909 0.818 CB 1.229 16 residues pruned to eliminate duplicates Z: 44 26.819 1.934 0.416 0.702 0.953 0.605 CB 1.303 44 residues pruned to eliminate duplicates Z: 11 19.005 1.849 0.659 0.913 1.000 0.800 CB 1.386 11 residues pruned to eliminate duplicates Z: 26 18.296 2.019 0.372 0.497 0.880 0.360 CB 1.507 26 residues pruned to eliminate duplicates Z: 6 6.737 1.550 0.386 0.840 1.000 1.000 CB 1.047 6 residues pruned to eliminate duplicates Z: 14 16.745 2.019 0.413 0.860 1.000 0.615 CB 1.197 14 residues pruned to eliminate duplicates Z: 12 19.059 2.280 0.755 0.443 0.909 0.273 CB 1.676 12 residues pruned to eliminate duplicates Z: 12 17.237 1.739 0.663 0.879 1.000 0.818 CA 1.303 12 residues pruned to eliminate duplicates Z: 9 6.434 1.832 0.291 0.823 0.750 0.625 CA 0.970 8 residues pruned to eliminate duplicates Z: 6 3.024 1.622 0.017 0.553 0.800 0.600 CB 0.973 Z: 9 9.546 1.650 0.557 0.830 0.875 0.500 CB 1.129 8 residues pruned to eliminate duplicates Z: 22 33.454 2.063 0.894 0.935 1.000 0.714 CB 1.302 22 residues pruned to eliminate duplicates Z: 16 26.027 2.134 0.660 0.880 1.000 0.667 CB 1.374 16 residues pruned to eliminate duplicates Z: 15 18.473 1.894 1.081 0.854 0.929 0.786 CA 0.997 14 residues pruned to eliminate duplicates Z: 12 20.955 2.010 0.815 0.813 0.909 0.455 CB 1.451 13 residues pruned to eliminate duplicates Z: 11 11.988 1.638 0.422 0.803 1.000 0.500 CB 1.249 11 residues pruned to eliminate duplicates Z: 13 4.572 1.605 0.136 0.272 0.750 0.417 N 1.249 13 residues pruned to eliminate duplicates Z: 19 19.117 1.886 0.512 0.872 1.000 0.833 CB 1.152 19 residues pruned to eliminate duplicates Z: 20 18.232 2.021 0.571 0.516 1.000 0.579 CA 1.297 20 residues pruned to eliminate duplicates Z: 6 3.540 1.547 0.139 0.465 1.000 0.800 CB 0.931 Z: 26 26.649 2.077 0.805 0.560 0.920 0.560 CA 1.459 25 residues pruned to eliminate duplicates Z: 11 18.339 1.818 0.604 0.861 1.000 0.700 CA 1.462 11 residues pruned to eliminate duplicates Z: 21 32.832 2.122 0.673 0.942 1.000 0.850 CB 1.434 21 residues pruned to eliminate duplicates Z: 9 12.472 1.661 0.817 0.848 1.000 0.875 CB 1.083 9 residues pruned to eliminate duplicates Z: 12 25.275 1.965 1.151 0.934 1.000 0.909 CB 1.258 12 residues pruned to eliminate duplicates Z: 10 12.965 2.016 0.162 0.891 0.889 0.889 CB 1.492 10 residues pruned to eliminate duplicates Z: 8 12.775 1.833 0.664 0.801 1.000 0.714 CB 1.217 8 residues pruned to eliminate duplicates Z: 6 4.068 1.631 0.011 0.599 1.000 0.600 CB 1.004 Z: 18 12.407 1.712 0.352 0.618 1.000 0.765 CB 1.163 18 residues pruned to eliminate duplicates Z: 12 9.454 1.685 0.236 0.781 0.909 0.636 CB 1.176 12 residues pruned to eliminate duplicates Z: 11 13.684 1.885 0.646 0.747 0.900 0.700 CA 1.243 11 residues pruned to eliminate duplicates Z: 26 28.873 2.117 0.781 0.910 0.920 0.520 CB 1.181 26 residues pruned to eliminate duplicates Z: 13 21.977 2.063 0.757 0.848 0.917 0.500 CB 1.416 13 residues pruned to eliminate duplicates Z: 24 28.016 2.079 0.737 0.622 0.957 0.609 CB 1.507 25 residues pruned to eliminate duplicates Z: 11 15.900 2.183 0.500 0.931 0.800 0.500 CB 1.341 11 residues pruned to eliminate duplicates Z: 7 7.800 1.899 0.523 0.715 0.833 0.500 CB 1.088 6 residues pruned to eliminate duplicates Z: 27 19.697 1.912 0.357 0.885 1.000 0.769 CA 1.075 27 residues pruned to eliminate duplicates Z: 19 21.751 1.862 0.703 0.835 0.889 0.722 CA 1.363 19 residues pruned to eliminate duplicates Z: 23 37.167 2.084 1.044 0.947 0.955 0.364 CB 1.348 23 residues pruned to eliminate duplicates Z: 12 21.355 2.049 0.819 0.909 1.000 1.000 CA 1.226 12 residues pruned to eliminate duplicates Z: 13 22.653 2.007 0.653 0.910 1.000 0.833 CA 1.397 12 residues pruned to eliminate duplicates Z: 11 15.487 1.908 0.544 0.797 1.000 0.800 CB 1.282 11 residues pruned to eliminate duplicates Z: 12 23.157 1.972 0.996 0.889 1.000 0.727 CA 1.278 12 residues pruned to eliminate duplicates Z: 10 13.180 1.769 0.452 0.841 1.000 0.778 CB 1.275 10 residues pruned to eliminate duplicates Z: 12 17.292 2.176 0.508 0.885 0.909 0.636 CA 1.263 12 residues pruned to eliminate duplicates Z: 10 16.779 1.785 0.643 0.892 1.000 0.333 CA 1.370 12 residues pruned to eliminate duplicates Z: 12 21.959 2.070 0.847 0.892 1.000 0.727 CB 1.244 12 residues pruned to eliminate duplicates Z: 16 16.407 1.970 0.471 0.876 0.933 0.667 CB 1.138 16 residues pruned to eliminate duplicates Z: 11 10.783 1.673 0.393 0.850 0.900 0.700 CA 1.204 11 residues pruned to eliminate duplicates Z: 15 24.557 1.984 0.806 0.845 0.929 0.571 CB 1.467 15 residues pruned to eliminate duplicates Z: 8 6.468 1.704 0.390 0.624 0.714 0.571 CA 1.286 8 residues pruned to eliminate duplicates Z: 7 9.012 1.511 0.805 0.561 1.000 0.500 CB 1.271 Z: 7 3.734 1.589 -0.090 0.578 1.000 0.667 CB 0.978 Z: 8 4.170 1.600 -0.089 0.483 0.857 0.429 C 1.282 Z: 10 7.754 1.685 0.108 0.890 1.000 1.000 CA 0.996 10 residues pruned to eliminate duplicates Z: 11 11.118 1.774 0.141 0.902 1.000 0.500 CA 1.239 11 residues pruned to eliminate duplicates Z: 7 5.847 1.694 0.457 0.523 1.000 0.667 CB 0.946 4 residues pruned to eliminate duplicates Z: 14 25.849 2.032 0.774 0.909 1.000 0.538 CA 1.412 14 residues pruned to eliminate duplicates Z: 7 9.745 1.676 0.347 0.891 1.000 0.667 CB 1.266 7 residues pruned to eliminate duplicates Z: 10 17.354 1.930 0.480 0.915 1.000 0.778 CB 1.432 10 residues pruned to eliminate duplicates Z: 15 10.484 1.871 0.678 0.464 0.857 0.357 CB 1.080 15 residues pruned to eliminate duplicates Z: 24 27.580 2.155 0.504 0.924 0.957 0.870 CB 1.302 24 residues pruned to eliminate duplicates Z: 8 3.149 1.679 -0.092 0.305 0.714 0.571 CB 1.357 8 residues pruned to eliminate duplicates Z: 12 25.487 1.965 1.174 0.942 1.000 0.636 CB 1.248 12 residues pruned to eliminate duplicates Z: 8 10.255 1.636 0.374 0.849 1.000 0.857 CB 1.279 8 residues pruned to eliminate duplicates Z: 26 15.038 1.771 0.275 0.513 0.960 0.720 CB 1.370 26 residues pruned to eliminate duplicates Z: 11 11.168 1.865 0.210 0.775 1.000 0.700 CA 1.228 9 residues pruned to eliminate duplicates Z: 6 5.152 1.391 0.553 0.769 1.000 0.800 O 0.841 Z: 8 17.237 2.199 0.565 0.830 1.000 0.571 CA 1.423 8 residues pruned to eliminate duplicates Z: 23 32.967 2.093 0.622 0.916 1.000 0.682 CA 1.462 23 residues pruned to eliminate duplicates Z: 39 29.720 1.959 0.747 0.650 0.947 0.842 CB 1.293 39 residues pruned to eliminate duplicates Z: 14 20.227 2.027 0.477 0.908 1.000 0.538 CA 1.332 14 residues pruned to eliminate duplicates Z: 24 35.031 2.095 0.920 0.879 0.957 0.652 CB 1.376 24 residues pruned to eliminate duplicates Z: 11 5.084 1.531 0.349 0.310 0.900 0.500 CB 1.068 11 residues pruned to eliminate duplicates Z: 49 32.034 1.970 0.489 0.704 0.979 0.667 CB 1.338 49 residues pruned to eliminate duplicates Z: 14 22.281 2.065 0.623 0.896 0.923 0.846 CB 1.431 14 residues pruned to eliminate duplicates Z: 18 20.568 2.143 0.615 0.634 0.882 0.824 CA 1.440 18 residues pruned to eliminate duplicates Z: 7 6.726 1.597 0.624 0.667 0.833 0.333 CB 1.088 Z: 41 28.113 2.071 0.495 0.661 0.925 0.650 CB 1.336 40 residues pruned to eliminate duplicates Z: 17 20.741 2.022 0.596 0.846 0.938 0.625 CB 1.273 17 residues pruned to eliminate duplicates Z: 10 7.993 1.755 0.246 0.845 0.778 0.333 CB 1.164 10 residues pruned to eliminate duplicates Z: 11 13.414 1.792 0.164 0.890 1.000 0.800 CA 1.462 11 residues pruned to eliminate duplicates Z: 77 39.744 2.008 0.612 0.685 0.947 0.579 CB 1.255 79 residues pruned to eliminate duplicates Z: 11 16.154 1.777 0.628 0.817 1.000 0.400 CB 1.341 11 residues pruned to eliminate duplicates Z: 8 3.260 1.464 0.350 0.353 0.714 0.714 CA 1.024 Z: 23 33.433 2.025 0.921 0.919 1.000 0.636 CB 1.291 23 residues pruned to eliminate duplicates Z: 27 24.716 1.947 0.612 0.747 0.962 0.654 CB 1.287 29 residues pruned to eliminate duplicates Z: 23 24.569 2.001 0.834 0.881 0.818 0.409 CB 1.264 23 residues pruned to eliminate duplicates Z: 7 5.999 1.635 0.417 0.885 1.000 0.500 CB 0.763 7 residues pruned to eliminate duplicates Z: 17 18.184 2.028 0.419 0.781 1.000 0.812 CB 1.233 17 residues pruned to eliminate duplicates Z: 21 11.221 1.695 0.447 0.484 0.900 0.500 CB 1.155 21 residues pruned to eliminate duplicates Z: 11 7.079 1.875 0.284 0.396 0.900 0.600 CB 1.153 11 residues pruned to eliminate duplicates Z: 9 7.912 1.788 0.271 0.398 1.000 0.500 CA 1.371 9 residues pruned to eliminate duplicates Z: 19 24.525 1.917 0.743 0.840 0.944 0.556 CB 1.367 19 residues pruned to eliminate duplicates Z: 7 2.506 1.639 -0.228 0.542 1.000 0.667 CA 0.776 5 residues pruned to eliminate duplicates Z: 24 26.465 2.092 0.448 0.904 1.000 0.870 CA 1.297 24 residues pruned to eliminate duplicates Z: 20 13.675 1.944 0.483 0.369 0.842 0.526 CA 1.486 20 residues pruned to eliminate duplicates Z: 14 24.230 2.136 0.804 0.921 1.000 0.923 CA 1.227 14 residues pruned to eliminate duplicates Z: 28 22.997 1.964 0.550 0.513 0.926 0.556 CA 1.550 28 residues pruned to eliminate duplicates Z: 11 14.539 1.949 0.667 0.911 1.000 0.900 CA 1.003 11 residues pruned to eliminate duplicates Z: 16 16.064 1.845 0.385 0.886 1.000 0.867 CB 1.170 16 residues pruned to eliminate duplicates Z: 11 22.898 2.002 0.611 0.922 1.000 0.400 CB 1.579 11 residues pruned to eliminate duplicates Z: 12 14.896 1.774 0.444 0.734 0.909 0.636 N 1.562 12 residues pruned to eliminate duplicates Z: 22 38.486 2.108 1.065 0.939 1.000 0.714 CB 1.341 23 residues pruned to eliminate duplicates Z: 12 25.272 2.116 0.852 0.878 1.000 0.818 CB 1.411 12 residues pruned to eliminate duplicates Z: 24 28.541 2.147 0.422 0.904 1.000 0.739 CA 1.389 24 residues pruned to eliminate duplicates Z: 12 23.144 2.051 0.784 0.904 1.000 0.545 CB 1.359 13 residues pruned to eliminate duplicates Z: 10 9.352 1.742 0.208 0.867 1.000 0.889 CA 1.083 10 residues pruned to eliminate duplicates Z: 16 22.474 2.006 0.676 0.889 1.000 0.533 CB 1.242 16 residues pruned to eliminate duplicates Z: 14 18.698 1.919 0.829 0.925 1.000 0.462 CB 1.038 14 residues pruned to eliminate duplicates Z: 11 15.250 1.700 0.594 0.877 0.900 0.800 CA 1.436 11 residues pruned to eliminate duplicates Z: 13 16.612 1.902 0.537 0.903 0.917 0.917 CA 1.276 13 residues pruned to eliminate duplicates Z: 6 3.145 1.659 0.309 0.762 0.600 0.400 CB 0.855 6 residues pruned to eliminate duplicates Z: 34 32.956 2.049 0.682 0.796 0.970 0.788 CB 1.325 34 residues pruned to eliminate duplicates Z: 18 18.272 1.792 0.645 0.593 1.000 0.882 CA 1.374 18 residues pruned to eliminate duplicates Z: 17 17.958 2.006 0.467 0.843 0.938 0.688 CB 1.212 17 residues pruned to eliminate duplicates Z: 25 18.047 1.787 0.904 0.557 0.792 0.542 CB 1.294 52 residues pruned to eliminate duplicates Z: 24 23.286 1.953 0.479 0.854 0.957 0.565 CA 1.298 24 residues pruned to eliminate duplicates Z: 10 15.871 1.877 0.605 0.827 0.889 0.667 CA 1.489 11 residues pruned to eliminate duplicates Z: 8 9.601 1.687 0.689 0.871 1.000 0.571 CB 0.929 8 residues pruned to eliminate duplicates Z: 9 3.146 1.404 0.431 0.455 0.750 0.500 CB 0.773 9 residues pruned to eliminate duplicates Z: 10 13.225 1.813 0.662 0.815 0.778 0.444 CB 1.431 10 residues pruned to eliminate duplicates Z: 30 21.609 1.896 0.484 0.693 0.931 0.724 CB 1.283 30 residues pruned to eliminate duplicates Z: 9 11.494 1.730 0.422 0.837 1.000 0.875 CA 1.236 9 residues pruned to eliminate duplicates Z: 33 30.578 2.000 0.786 0.660 0.938 0.656 CB 1.392 33 residues pruned to eliminate duplicates Z: 23 14.575 1.811 0.306 0.658 0.909 0.500 CB 1.249 23 residues pruned to eliminate duplicates Z: 9 3.390 1.314 0.445 0.311 0.875 0.375 CB 0.889 9 residues pruned to eliminate duplicates Z: 10 11.522 1.736 0.562 0.883 1.000 0.667 CA 1.024 10 residues pruned to eliminate duplicates Z: 23 15.049 1.777 0.328 0.510 0.955 0.636 CB 1.410 23 residues pruned to eliminate duplicates Z: 14 22.706 2.013 0.824 0.912 0.923 0.462 CB 1.316 Z: 8 9.380 1.623 0.520 0.807 0.857 0.714 CA 1.283 8 residues pruned to eliminate duplicates Z: 24 24.231 2.086 0.458 0.876 0.957 0.783 CB 1.262 24 residues pruned to eliminate duplicates Z: 11 15.233 1.752 0.395 0.896 1.000 1.000 CA 1.411 11 residues pruned to eliminate duplicates Z: 11 22.970 2.059 0.801 0.890 1.000 0.800 CB 1.409 11 residues pruned to eliminate duplicates Z: 14 9.021 1.584 0.495 0.488 0.923 0.692 CB 1.158 14 residues pruned to eliminate duplicates Z: 25 13.047 1.817 0.416 0.617 0.792 0.375 CB 1.170 25 residues pruned to eliminate duplicates Z: 8 5.742 1.441 0.670 0.530 0.857 0.571 N 1.021 Z: 18 8.114 1.612 0.430 0.518 0.765 0.588 CB 1.097 18 residues pruned to eliminate duplicates Z: 11 15.253 1.849 0.625 0.821 1.000 0.600 CA 1.215 12 residues pruned to eliminate duplicates Z: 11 13.763 1.870 0.547 0.753 1.000 0.600 CA 1.201 11 residues pruned to eliminate duplicates Z: 16 20.932 2.191 0.190 0.870 1.000 0.933 CA 1.513 16 residues pruned to eliminate duplicates Z: 9 6.213 1.696 0.479 0.644 0.750 0.250 CB 1.021 9 residues pruned to eliminate duplicates Z: 12 20.427 1.917 0.732 0.833 1.000 0.909 CA 1.392 12 residues pruned to eliminate duplicates Z: 23 28.090 2.116 0.623 0.915 0.955 0.364 CB 1.291 23 residues pruned to eliminate duplicates Z: 24 12.927 1.597 0.489 0.511 0.957 0.565 CA 1.172 24 residues pruned to eliminate duplicates Z: 10 18.334 1.924 0.623 0.860 1.000 0.889 CA 1.439 10 residues pruned to eliminate duplicates Z: 70 40.643 2.012 0.754 0.684 0.913 0.551 CB 1.283 57 residues pruned to eliminate duplicates Z: 11 17.333 2.037 0.525 0.926 1.000 1.000 CB 1.237 11 residues pruned to eliminate duplicates Z: 14 14.667 2.045 0.838 0.467 0.769 0.308 CB 1.455 14 residues pruned to eliminate duplicates Z: 9 9.353 1.735 0.260 0.904 1.000 0.875 CB 1.077 9 residues pruned to eliminate duplicates Z: 20 20.493 2.049 0.472 0.840 0.842 0.526 CA 1.381 20 residues pruned to eliminate duplicates Z: 8 8.340 1.733 0.465 0.892 1.000 0.857 CB 0.892 8 residues pruned to eliminate duplicates Z: 23 28.490 2.174 0.598 0.700 1.000 0.727 CA 1.457 23 residues pruned to eliminate duplicates Z: 15 23.693 2.126 0.867 0.704 0.929 0.857 CA 1.427 15 residues pruned to eliminate duplicates Z: 6 4.479 1.575 0.472 0.572 0.800 0.600 CB 1.008 Z: 9 2.961 1.436 0.436 0.311 0.750 0.625 N 0.835 6 1.661 1.344 0.036 0.350 0.600 0.400 N 1.045 ? Z: 6 3.900 1.407 0.646 0.309 0.800 0.400 CA 1.164 Z: 10 7.244 1.576 0.519 0.441 0.889 0.778 CA 1.206 10 residues pruned to eliminate duplicates 6 1.731 1.429 0.316 0.327 0.600 0.600 C 0.830 ? Z: 6 8.111 1.470 0.346 0.865 1.000 0.600 CA 1.342 6 residues pruned to eliminate duplicates Z: 10 9.077 1.659 0.340 0.812 0.889 0.889 CB 1.166 10 residues pruned to eliminate duplicates Z: 27 18.756 1.910 0.821 0.628 0.846 0.692 CB 1.108 27 residues pruned to eliminate duplicates Z: 8 5.867 1.671 0.267 0.881 0.857 0.714 CB 0.885 8 residues pruned to eliminate duplicates Z: 9 3.728 1.253 0.352 0.528 1.000 0.625 CB 0.757 Z: 8 7.779 1.573 0.404 0.884 0.857 0.714 CB 1.122 8 residues pruned to eliminate duplicates Z: 14 22.580 1.969 1.015 0.909 0.846 0.462 CB 1.324 14 residues pruned to eliminate duplicates Z: 8 6.051 1.510 0.338 0.797 0.857 0.286 CB 1.018 8 residues pruned to eliminate duplicates Z: 13 18.409 1.967 0.621 0.869 0.917 0.500 CB 1.328 13 residues pruned to eliminate duplicates Z: 38 23.445 1.947 0.457 0.659 0.892 0.568 CB 1.315 38 residues pruned to eliminate duplicates Z: 7 4.587 1.539 0.477 0.571 0.667 0.667 CA 1.154 Z: 24 32.461 1.956 0.979 0.927 0.957 0.391 CB 1.281 24 residues pruned to eliminate duplicates Z: 10 8.578 1.723 0.337 0.799 1.000 0.556 CA 0.955 10 residues pruned to eliminate duplicates Z: 9 10.438 1.696 0.395 0.886 1.000 1.000 CA 1.126 9 residues pruned to eliminate duplicates Z: 9 15.954 1.931 0.799 0.907 1.000 0.875 CA 1.154 9 residues pruned to eliminate duplicates Z: 9 12.812 1.776 0.663 0.904 1.000 0.500 CB 1.092 9 residues pruned to eliminate duplicates Z: 34 24.073 1.930 0.726 0.587 0.879 0.545 CB 1.317 34 residues pruned to eliminate duplicates Z: 16 20.177 1.872 0.962 0.866 0.800 0.533 CA 1.298 16 residues pruned to eliminate duplicates Z: 10 14.701 1.926 0.518 0.885 0.889 0.778 CB 1.362 10 residues pruned to eliminate duplicates Z: 13 20.451 2.025 0.675 0.903 1.000 0.583 CA 1.241 13 residues pruned to eliminate duplicates Z: 10 12.569 1.742 0.572 0.907 1.000 0.889 CA 1.088 10 residues pruned to eliminate duplicates Z: 14 23.847 1.789 1.005 0.874 1.000 0.846 CA 1.343 14 residues pruned to eliminate duplicates Z: 17 5.793 1.557 0.457 0.288 0.812 0.625 CB 0.997 17 residues pruned to eliminate duplicates Z: 14 17.831 2.071 0.380 0.670 1.000 0.769 CB 1.478 14 residues pruned to eliminate duplicates Z: 14 16.102 1.910 0.774 0.742 0.769 0.231 CB 1.379 14 residues pruned to eliminate duplicates Z: 17 17.511 1.907 0.461 0.872 1.000 0.750 CB 1.145 17 residues pruned to eliminate duplicates Z: 10 22.855 2.263 0.633 0.911 1.000 1.000 CB 1.461 10 residues pruned to eliminate duplicates Z: 26 18.037 1.974 0.655 0.544 0.760 0.400 CB 1.392 26 residues pruned to eliminate duplicates Z: 24 27.636 2.173 0.490 0.935 0.957 0.870 CB 1.297 24 residues pruned to eliminate duplicates Z: 25 23.726 2.090 0.500 0.882 0.958 0.417 CB 1.167 25 residues pruned to eliminate duplicates Z: 13 6.064 1.786 0.497 0.417 0.667 0.333 CB 1.072 13 residues pruned to eliminate duplicates Z: 10 15.291 2.021 0.816 0.839 0.778 0.222 CB 1.333 Z: 11 7.639 1.787 0.577 0.759 0.800 0.500 CB 0.851 11 residues pruned to eliminate duplicates Z: 9 9.642 1.840 0.325 0.862 1.000 0.625 CB 1.027 9 residues pruned to eliminate duplicates Z: 22 9.562 1.686 0.486 0.463 0.714 0.524 CB 1.212 21 residues pruned to eliminate duplicates Z: 20 13.272 1.779 0.764 0.609 0.789 0.368 CB 1.108 20 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 7.198 1.817 0.385 0.428 1.000 0.444 CB 1.027 8 residues pruned to eliminate duplicates Z: 14 15.770 1.976 0.658 0.631 0.923 0.308 CB 1.279 18 residues pruned to eliminate duplicates Z: 11 14.427 1.940 0.785 0.739 0.900 0.400 CB 1.181 11 residues pruned to eliminate duplicates Z: 18 16.406 1.925 0.670 0.544 0.941 0.412 CB 1.260 18 residues pruned to eliminate duplicates Z: 11 14.860 1.862 0.763 0.686 0.900 0.600 CA 1.341 11 residues pruned to eliminate duplicates Z: 17 18.681 2.020 0.689 0.585 0.938 0.500 CB 1.345 17 residues pruned to eliminate duplicates Z: 13 13.931 1.720 0.657 0.810 0.917 0.750 CA 1.175 13 residues pruned to eliminate duplicates Z: 19 14.490 1.861 0.668 0.550 0.833 0.500 CB 1.257 19 residues pruned to eliminate duplicates Z: 17 15.726 1.988 0.652 0.583 0.875 0.688 CB 1.263 17 residues pruned to eliminate duplicates Z: 19 15.911 1.842 0.603 0.561 0.944 0.500 CB 1.268 19 residues pruned to eliminate duplicates Z: 17 17.301 2.025 0.709 0.568 0.875 0.438 CB 1.337 17 residues pruned to eliminate duplicates Z: 10 11.945 1.766 0.390 0.826 1.000 0.556 CB 1.223 10 residues pruned to eliminate duplicates Z: 16 7.314 1.502 0.326 0.527 0.867 0.600 CB 1.066 13 residues pruned to eliminate duplicates Z: 7 9.117 1.668 0.225 0.843 1.000 1.000 CB 1.356 7 residues pruned to eliminate duplicates Z: 12 9.100 1.502 0.416 0.665 1.000 0.545 CB 1.108 12 residues pruned to eliminate duplicates Z: 11 11.188 1.630 0.584 0.768 1.000 0.500 CB 1.080 11 residues pruned to eliminate duplicates Z: 9 7.153 1.534 0.260 0.768 0.875 0.625 CB 1.179 9 residues pruned to eliminate duplicates Z: 12 9.261 1.474 0.575 0.694 0.909 0.545 CB 1.108 12 residues pruned to eliminate duplicates Z: 13 10.447 1.722 0.471 0.475 1.000 0.583 CB 1.221 13 residues pruned to eliminate duplicates Z: 6 4.378 1.454 0.545 0.440 1.000 0.600 CA 0.927 6 residues pruned to eliminate duplicates Z: 11 10.834 1.815 0.493 0.469 1.000 0.500 CB 1.305 11 residues pruned to eliminate duplicates Z: 15 6.251 1.626 0.284 0.334 0.929 0.429 CB 1.033 15 residues pruned to eliminate duplicates Z: 12 6.898 1.674 0.335 0.430 0.909 0.636 CB 1.101 12 residues pruned to eliminate duplicates Z: 14 7.492 1.665 0.486 0.362 0.923 0.692 CB 1.054 14 residues pruned to eliminate duplicates Z: 11 9.804 1.832 0.567 0.468 0.900 0.700 CB 1.240 11 residues pruned to eliminate duplicates Z: 12 9.229 1.775 0.494 0.422 0.909 0.545 CB 1.252 12 residues pruned to eliminate duplicates Z: 13 7.528 1.688 0.451 0.384 0.833 0.583 CB 1.204 13 residues pruned to eliminate duplicates Z: 13 7.980 1.698 0.539 0.366 0.833 0.583 CB 1.222 13 residues pruned to eliminate duplicates Z: 11 7.904 1.996 0.382 0.370 0.900 0.800 CB 1.157 13 residues pruned to eliminate duplicates Z: 7 4.251 1.480 0.657 0.563 1.000 0.833 CB 0.666 7 residues pruned to eliminate duplicates Z: 14 26.788 2.042 0.828 0.940 1.000 0.923 CA 1.382 16 residues pruned to eliminate duplicates Z: 14 27.250 2.020 0.856 0.924 1.000 0.923 CA 1.415 14 residues pruned to eliminate duplicates Z: 13 26.006 2.027 0.748 0.901 1.000 0.750 CA 1.512 13 residues pruned to eliminate duplicates Z: 14 30.178 2.060 1.180 0.860 0.923 0.769 CB 1.484 14 residues pruned to eliminate duplicates Z: 14 28.699 1.997 0.965 0.913 1.000 0.769 CB 1.435 14 residues pruned to eliminate duplicates Z: 14 26.636 1.994 0.988 0.854 0.923 0.462 CB 1.491 14 residues pruned to eliminate duplicates Z: 15 25.196 1.950 1.016 0.871 0.929 0.571 CB 1.345 14 residues pruned to eliminate duplicates Z: 12 31.769 2.083 1.037 0.924 1.000 0.455 CB 1.585 12 residues pruned to eliminate duplicates Z: 16 21.644 1.880 1.034 0.784 0.867 0.467 CB 1.314 16 residues pruned to eliminate duplicates Z: 14 29.604 1.972 1.052 0.926 1.000 0.846 CA 1.423 14 residues pruned to eliminate duplicates Z: 14 29.051 1.998 0.979 0.937 1.000 0.769 CB 1.418 14 residues pruned to eliminate duplicates Z: 14 30.633 2.078 1.127 0.867 0.923 0.923 CB 1.524 15 residues pruned to eliminate duplicates Z: 14 26.182 1.876 0.937 0.899 1.000 0.769 CB 1.429 14 residues pruned to eliminate duplicates Z: 13 17.406 1.865 0.590 0.659 1.000 0.583 CB 1.462 11 residues pruned to eliminate duplicates Z: 11 12.156 1.808 0.425 0.695 0.900 0.700 CA 1.386 11 residues pruned to eliminate duplicates Z: 15 12.212 1.751 0.378 0.576 0.929 0.786 CB 1.354 15 residues pruned to eliminate duplicates Z: 14 11.945 1.792 0.394 0.613 0.923 0.769 CB 1.290 14 residues pruned to eliminate duplicates Z: 13 15.247 1.860 0.423 0.654 1.000 0.667 CB 1.441 13 residues pruned to eliminate duplicates Z: 15 15.983 1.772 0.660 0.560 0.929 0.571 CB 1.476 15 residues pruned to eliminate duplicates Z: 28 14.176 1.658 0.632 0.484 0.963 0.704 CB 1.064 13 residues pruned to eliminate duplicates Z: 11 20.017 1.846 0.729 0.864 1.000 0.700 CA 1.454 11 residues pruned to eliminate duplicates Z: 11 21.958 1.856 0.829 0.864 1.000 0.800 CA 1.499 11 residues pruned to eliminate duplicates Z: 15 16.539 1.734 0.752 0.644 0.929 0.500 CB 1.370 15 residues pruned to eliminate duplicates Z: 10 9.325 1.796 0.379 0.507 0.889 0.444 CA 1.402 9 residues pruned to eliminate duplicates Z: 11 10.806 1.924 0.731 0.525 0.900 0.400 CB 1.112 11 residues pruned to eliminate duplicates Z: 24 21.268 2.039 0.925 0.435 0.913 0.348 CA 1.323 24 residues pruned to eliminate duplicates Z: 25 20.454 2.058 0.676 0.479 0.875 0.417 CB 1.414 25 residues pruned to eliminate duplicates Z: 26 21.737 2.074 0.725 0.525 0.840 0.520 CB 1.412 26 residues pruned to eliminate duplicates Z: 8 16.742 1.982 0.759 0.842 1.000 0.571 CA 1.353 8 residues pruned to eliminate duplicates Z: 26 19.986 2.073 0.680 0.468 0.840 0.480 CB 1.412 26 residues pruned to eliminate duplicates Z: 19 19.890 2.135 0.772 0.481 0.944 0.500 CA 1.338 19 residues pruned to eliminate duplicates Z: 11 12.889 1.889 0.665 0.636 1.000 0.400 CA 1.141 11 residues pruned to eliminate duplicates Z: 20 17.910 2.071 0.947 0.459 0.842 0.474 CA 1.262 20 residues pruned to eliminate duplicates Z: 13 28.583 2.063 1.016 0.928 1.000 0.750 CB 1.390 14 residues pruned to eliminate duplicates Z: 12 23.886 2.128 0.693 0.913 1.000 0.909 CB 1.415 12 residues pruned to eliminate duplicates Z: 13 24.371 1.994 0.917 0.846 1.000 0.917 CA 1.368 14 residues pruned to eliminate duplicates Z: 13 19.569 2.009 0.655 0.869 0.917 0.833 CB 1.354 13 residues pruned to eliminate duplicates Z: 14 23.563 2.015 0.902 0.858 0.923 0.769 CB 1.361 13 residues pruned to eliminate duplicates Z: 13 23.561 2.042 1.072 0.880 0.833 0.500 CB 1.398 13 residues pruned to eliminate duplicates Z: 14 23.544 1.974 0.790 0.863 1.000 0.923 CB 1.356 14 residues pruned to eliminate duplicates Z: 13 27.096 2.063 1.080 0.888 0.917 0.583 CB 1.433 13 residues pruned to eliminate duplicates Z: 14 19.212 2.006 0.743 0.838 0.923 0.846 CB 1.234 14 residues pruned to eliminate duplicates Z: 12 23.273 2.065 0.988 0.909 1.000 0.364 CB 1.213 12 residues pruned to eliminate duplicates Z: 33 28.804 2.056 0.808 0.697 0.844 0.656 CB 1.357 46 residues pruned to eliminate duplicates Z: 20 19.452 1.986 0.673 0.743 0.789 0.526 CB 1.368 20 residues pruned to eliminate duplicates Z: 18 20.106 2.007 0.575 0.745 0.882 0.471 CB 1.405 18 residues pruned to eliminate duplicates Z: 18 20.316 1.984 0.615 0.771 0.941 0.412 CB 1.286 18 residues pruned to eliminate duplicates Z: 21 25.554 1.911 0.743 0.753 0.950 0.550 CA 1.441 21 residues pruned to eliminate duplicates Z: 60 29.906 1.867 0.564 0.620 0.881 0.610 CB 1.350 78 residues pruned to eliminate duplicates Z: 56 34.193 1.927 0.571 0.706 0.964 0.673 CB 1.310 57 residues pruned to eliminate duplicates Z: 18 23.436 1.871 0.537 0.901 1.000 0.647 CA 1.411 Z: 19 22.233 1.896 0.594 0.822 0.944 0.611 CB 1.389 18 residues pruned to eliminate duplicates Z: 17 27.068 1.969 0.847 0.871 0.938 0.625 CB 1.448 17 residues pruned to eliminate duplicates Z: 18 29.976 1.965 0.798 0.875 1.000 0.647 CB 1.496 19 residues pruned to eliminate duplicates Z: 18 29.822 1.970 0.804 0.901 1.000 0.588 CB 1.453 18 residues pruned to eliminate duplicates Z: 18 22.606 2.007 0.759 0.810 0.882 0.706 CA 1.344 18 residues pruned to eliminate duplicates Z: 20 23.189 1.910 0.785 0.752 0.947 0.579 CA 1.316 20 residues pruned to eliminate duplicates Z: 55 34.709 1.920 0.631 0.665 0.944 0.667 CB 1.372 73 residues pruned to eliminate duplicates Z: 20 21.836 1.883 0.702 0.760 0.947 0.579 CA 1.309 Z: 12 24.282 2.066 0.839 0.848 1.000 0.364 CB 1.429 10 residues pruned to eliminate duplicates Z: 13 21.390 1.875 0.771 0.805 1.000 0.583 CB 1.426 13 residues pruned to eliminate duplicates Z: 43 37.293 2.095 0.784 0.751 0.929 0.595 CB 1.326 55 residues pruned to eliminate duplicates Z: 41 33.900 1.989 0.835 0.744 0.900 0.650 CB 1.312 41 residues pruned to eliminate duplicates Z: 26 33.326 2.065 0.925 0.788 0.960 0.640 CB 1.356 Z: 12 25.133 1.863 1.015 0.878 1.000 0.545 CA 1.465 11 residues pruned to eliminate duplicates Z: 12 24.397 1.889 1.114 0.836 1.000 0.636 CA 1.379 12 residues pruned to eliminate duplicates Z: 28 28.925 2.004 0.682 0.782 0.963 0.704 CB 1.338 28 residues pruned to eliminate duplicates Z: 26 27.492 2.021 0.820 0.694 0.920 0.480 CB 1.361 27 residues pruned to eliminate duplicates Z: 12 23.479 1.877 1.131 0.855 0.909 0.545 CB 1.436 11 residues pruned to eliminate duplicates Z: 12 22.767 1.887 0.847 0.865 1.000 0.636 CB 1.443 12 residues pruned to eliminate duplicates Z: 71 42.757 2.089 0.665 0.723 0.929 0.700 CB 1.295 71 residues pruned to eliminate duplicates Z: 107 46.156 2.027 0.553 0.663 0.915 0.604 CB 1.338 103 residues pruned to eliminate duplicates Z: 23 37.583 2.151 1.039 0.898 0.909 0.545 CB 1.437 23 residues pruned to eliminate duplicates Z: 22 20.124 2.042 0.701 0.613 0.905 0.429 CB 1.256 22 residues pruned to eliminate duplicates Z: 35 35.796 2.108 0.857 0.744 0.971 0.500 CB 1.299 35 residues pruned to eliminate duplicates Z: 86 46.183 2.049 0.649 0.690 0.953 0.588 CB 1.307 86 residues pruned to eliminate duplicates Z: 27 30.675 2.083 0.945 0.780 0.885 0.615 CB 1.311 27 residues pruned to eliminate duplicates Z: 33 28.158 2.095 0.695 0.758 0.906 0.562 CB 1.229 33 residues pruned to eliminate duplicates Z: 87 47.830 2.067 0.623 0.699 0.965 0.628 CB 1.329 87 residues pruned to eliminate duplicates Z: 24 37.505 2.146 1.056 0.880 0.957 0.478 CB 1.343 24 residues pruned to eliminate duplicates Z: 25 29.981 2.090 0.985 0.844 0.875 0.500 CB 1.254 25 residues pruned to eliminate duplicates Z: 25 27.984 2.001 0.946 0.816 0.875 0.125 CB 1.273 25 residues pruned to eliminate duplicates Z: 66 39.654 1.989 0.669 0.692 0.969 0.477 CB 1.281 66 residues pruned to eliminate duplicates Z: 62 42.714 2.105 0.767 0.721 0.852 0.525 CB 1.412 62 residues pruned to eliminate duplicates Z: 77 43.506 2.011 0.705 0.702 0.961 0.500 CB 1.261 77 residues pruned to eliminate duplicates Z: 20 32.444 2.154 1.078 0.893 0.947 0.211 CB 1.260 20 residues pruned to eliminate duplicates Z: 24 36.868 2.118 0.960 0.874 0.957 0.174 CB 1.409 24 residues pruned to eliminate duplicates Z: 35 33.844 2.092 0.831 0.760 0.941 0.382 CB 1.278 35 residues pruned to eliminate duplicates Z: 42 39.181 2.130 0.861 0.768 0.927 0.610 CB 1.314 42 residues pruned to eliminate duplicates Z: 62 44.248 2.082 0.765 0.735 0.984 0.590 CB 1.270 62 residues pruned to eliminate duplicates Z: 75 39.831 1.998 0.636 0.712 0.932 0.662 CB 1.253 75 residues pruned to eliminate duplicates Z: 88 44.719 2.037 0.672 0.697 0.931 0.575 CB 1.264 88 residues pruned to eliminate duplicates Z: 49 33.108 2.057 0.865 0.720 0.875 0.375 CB 1.167 49 residues pruned to eliminate duplicates Z: 78 43.999 2.028 0.697 0.674 0.961 0.519 CB 1.292 78 residues pruned to eliminate duplicates Z: 10 11.305 2.065 0.497 0.537 1.000 0.667 CB 1.175 10 residues pruned to eliminate duplicates Z: 48 40.480 2.117 0.973 0.743 0.872 0.468 CB 1.304 48 residues pruned to eliminate duplicates Z: 36 32.697 2.054 0.921 0.742 0.943 0.457 CB 1.196 36 residues pruned to eliminate duplicates Z: 43 30.253 2.068 0.640 0.707 0.881 0.738 CB 1.295 75 residues pruned to eliminate duplicates Z: 7 10.793 1.978 0.549 0.855 1.000 1.000 CB 1.061 7 residues pruned to eliminate duplicates Z: 22 23.113 2.123 0.661 0.690 0.905 0.619 CB 1.328 22 residues pruned to eliminate duplicates Z: 25 22.296 2.022 0.920 0.591 0.875 0.625 CB 1.228 25 residues pruned to eliminate duplicates Z: 22 25.606 2.097 0.812 0.664 0.952 0.762 CB 1.326 22 residues pruned to eliminate duplicates Z: 22 20.281 2.111 0.769 0.669 0.905 0.762 CB 1.121 22 residues pruned to eliminate duplicates Z: 90 46.452 1.988 0.750 0.683 0.933 0.539 CB 1.282 90 residues pruned to eliminate duplicates Z: 9 18.175 2.275 0.460 0.915 1.000 1.000 CB 1.368 9 residues pruned to eliminate duplicates Z: 46 40.742 2.099 0.952 0.764 0.956 0.533 CB 1.227 46 residues pruned to eliminate duplicates Z: 88 49.741 2.042 0.867 0.698 0.931 0.563 CB 1.255 88 residues pruned to eliminate duplicates Z: 88 47.203 2.030 0.731 0.693 0.943 0.609 CB 1.281 92 residues pruned to eliminate duplicates Z: 11 21.305 2.099 0.536 0.926 1.000 0.900 CA 1.465 11 residues pruned to eliminate duplicates Z: 48 31.174 2.028 0.571 0.655 0.936 0.745 CB 1.320 48 residues pruned to eliminate duplicates Z: 60 28.971 1.908 0.599 0.605 0.881 0.627 CB 1.269 80 residues pruned to eliminate duplicates Z: 43 30.711 1.998 0.549 0.630 0.952 0.619 CB 1.422 43 residues pruned to eliminate duplicates Z: 85 48.134 1.993 0.715 0.715 0.929 0.512 CB 1.362 99 residues pruned to eliminate duplicates Z: 37 25.544 2.010 0.408 0.694 0.944 0.722 CB 1.334 37 residues pruned to eliminate duplicates Z: 99 54.091 2.067 0.726 0.699 0.959 0.633 CB 1.332 99 residues pruned to eliminate duplicates Z: 28 23.194 1.952 0.539 0.655 0.963 0.741 CB 1.336 Z: 16 19.414 2.087 0.513 0.761 0.933 0.867 CA 1.349 16 residues pruned to eliminate duplicates Z: 26 20.959 2.034 0.588 0.674 0.840 0.680 CB 1.317 26 residues pruned to eliminate duplicates Z: 108 49.085 2.037 0.617 0.666 0.953 0.664 CB 1.296 136 residues pruned to eliminate duplicates Z: 28 23.042 1.974 0.589 0.665 0.963 0.778 CB 1.260 Z: 12 25.244 2.153 0.689 0.923 1.000 0.909 CA 1.471 12 residues pruned to eliminate duplicates Z: 75 49.162 2.039 0.946 0.689 0.919 0.554 CB 1.319 103 residues pruned to eliminate duplicates Z: 35 32.235 2.132 0.750 0.640 0.912 0.765 CB 1.426 35 residues pruned to eliminate duplicates Z: 39 28.402 1.992 0.653 0.676 0.921 0.737 CB 1.292 39 residues pruned to eliminate duplicates Z: 75 48.168 2.062 0.840 0.696 0.946 0.608 CB 1.304 75 residues pruned to eliminate duplicates Z: 118 52.308 1.989 0.798 0.667 0.906 0.530 CB 1.279 118 residues pruned to eliminate duplicates Z: 35 32.994 2.067 0.866 0.726 0.912 0.765 CB 1.312 35 residues pruned to eliminate duplicates Z: 56 32.612 1.950 0.689 0.647 0.873 0.600 CB 1.335 56 residues pruned to eliminate duplicates Z: 71 51.327 2.075 0.895 0.738 0.943 0.657 CB 1.336 71 residues pruned to eliminate duplicates Z: 25 24.816 2.014 0.813 0.697 0.958 0.667 CB 1.209 Z: 9 6.926 1.640 0.491 0.660 1.000 0.250 CB 0.863 9 residues pruned to eliminate duplicates Z: 8 6.800 1.745 0.578 0.861 0.857 0.286 CB 0.800 7 residues pruned to eliminate duplicates Z: 10 6.582 1.552 0.642 0.742 0.778 0.222 CB 0.892 9 residues pruned to eliminate duplicates Z: 9 7.588 1.690 0.412 0.883 0.875 0.375 CB 0.930 9 residues pruned to eliminate duplicates Z: 10 4.580 1.521 0.406 0.453 1.000 0.778 CB 0.749 6 residues pruned to eliminate duplicates Z: 8 9.105 1.698 0.632 0.846 0.857 0.571 CB 1.076 8 residues pruned to eliminate duplicates Z: 25 15.887 1.725 0.549 0.640 0.917 0.625 CB 1.162 12 residues pruned to eliminate duplicates Z: 6 5.206 1.417 0.740 0.342 1.000 0.400 CA 1.121 Z: 7 9.637 1.613 0.960 0.515 1.000 0.333 N 1.225 13 residues pruned to eliminate duplicates Z: 26 18.713 1.832 0.392 0.568 0.960 0.800 CB 1.431 26 residues pruned to eliminate duplicates Z: 26 18.122 1.832 0.436 0.514 0.960 0.920 CA 1.414 26 residues pruned to eliminate duplicates Z: 17 16.191 1.827 0.518 0.586 0.938 0.875 CA 1.433 17 residues pruned to eliminate duplicates Z: 25 15.752 1.815 0.405 0.504 0.917 0.708 CA 1.370 25 residues pruned to eliminate duplicates Z: 27 17.448 1.783 0.468 0.521 0.923 0.769 CA 1.387 27 residues pruned to eliminate duplicates Z: 10 11.820 1.800 0.050 0.888 1.000 0.778 CA 1.502 10 residues pruned to eliminate duplicates Z: 26 17.432 1.817 0.368 0.547 0.960 0.760 CA 1.396 26 residues pruned to eliminate duplicates Z: 38 23.729 1.835 0.496 0.575 0.973 0.757 CA 1.359 25 residues pruned to eliminate duplicates Z: 11 14.211 1.750 0.306 0.883 1.000 0.800 CA 1.421 11 residues pruned to eliminate duplicates Z: 26 17.071 1.775 0.392 0.526 0.960 0.680 CA 1.403 26 residues pruned to eliminate duplicates Z: 26 16.146 1.802 0.445 0.512 0.880 0.720 CA 1.393 26 residues pruned to eliminate duplicates Z: 11 14.032 1.765 0.315 0.838 1.000 0.900 CA 1.428 11 residues pruned to eliminate duplicates Z: 24 17.829 1.899 0.311 0.549 0.957 0.739 CB 1.489 24 residues pruned to eliminate duplicates Z: 14 13.279 1.812 0.222 0.681 1.000 0.692 CB 1.408 14 residues pruned to eliminate duplicates Z: 10 7.778 1.828 0.187 0.324 1.000 0.444 CA 1.451 10 residues pruned to eliminate duplicates Z: 26 18.072 1.835 0.401 0.474 1.000 0.640 CB 1.443 26 residues pruned to eliminate duplicates Z: 6 4.290 1.611 0.285 0.429 1.000 0.400 CA 0.997 6 residues pruned to eliminate duplicates Z: 10 6.523 1.630 0.379 0.335 0.889 0.667 CA 1.303 10 residues pruned to eliminate duplicates Z: 13 8.671 1.865 0.410 0.414 1.000 0.417 CB 1.042 13 residues pruned to eliminate duplicates Z: 6 2.903 1.824 0.078 0.221 0.800 0.400 CA 1.144 Z: 10 5.140 2.021 0.347 0.169 0.778 0.444 CB 1.209 16 residues pruned to eliminate duplicates Z: 11 5.913 2.009 0.359 0.151 0.800 0.400 CB 1.315 11 residues pruned to eliminate duplicates Z: 26 13.970 1.808 0.680 0.430 0.880 0.680 CB 1.125 37 residues pruned to eliminate duplicates Z: 17 24.803 2.028 0.944 0.800 0.938 0.625 CB 1.291 17 residues pruned to eliminate duplicates Z: 22 18.998 1.952 0.860 0.639 0.810 0.714 CA 1.238 22 residues pruned to eliminate duplicates Z: 43 24.632 1.920 0.490 0.589 0.976 0.595 CB 1.249 43 residues pruned to eliminate duplicates Z: 14 26.551 2.082 1.129 0.891 0.846 0.538 CB 1.411 16 residues pruned to eliminate duplicates Z: 13 26.201 2.023 1.008 0.914 1.000 0.667 CB 1.316 13 residues pruned to eliminate duplicates Z: 40 26.050 1.908 0.636 0.638 0.949 0.564 CB 1.237 42 residues pruned to eliminate duplicates Z: 11 26.206 2.034 0.917 0.889 1.000 0.300 CA 1.530 11 residues pruned to eliminate duplicates Z: 18 19.120 2.004 0.700 0.724 0.941 0.412 CB 1.182 18 residues pruned to eliminate duplicates Z: 43 26.058 1.938 0.584 0.624 0.952 0.524 CB 1.223 40 residues pruned to eliminate duplicates Z: 14 22.483 1.982 0.893 0.857 0.923 0.308 CB 1.327 14 residues pruned to eliminate duplicates Z: 30 24.689 1.923 0.756 0.643 0.966 0.552 CB 1.231 33 residues pruned to eliminate duplicates Z: 13 24.182 2.019 1.038 0.911 1.000 0.417 CB 1.203 13 residues pruned to eliminate duplicates Z: 42 26.383 1.909 0.596 0.628 0.951 0.488 CB 1.260 40 residues pruned to eliminate duplicates Z: 13 30.668 2.092 1.197 0.916 1.000 0.667 CB 1.361 15 residues pruned to eliminate duplicates Z: 15 19.069 2.001 0.827 0.759 0.929 0.214 CB 1.192 15 residues pruned to eliminate duplicates Z: 12 11.954 1.994 0.596 0.612 0.818 0.091 CB 1.244 12 residues pruned to eliminate duplicates Z: 32 21.351 1.914 0.617 0.598 0.903 0.484 CB 1.250 32 residues pruned to eliminate duplicates Z: 36 23.984 1.914 0.713 0.593 0.971 0.600 CB 1.164 36 residues pruned to eliminate duplicates Z: 18 16.766 1.830 0.554 0.644 1.000 0.706 CA 1.250 18 residues pruned to eliminate duplicates Z: 17 12.702 1.805 0.519 0.538 0.938 0.750 CB 1.191 17 residues pruned to eliminate duplicates Z: 48 25.498 1.921 0.558 0.584 0.915 0.596 CB 1.253 48 residues pruned to eliminate duplicates Z: 6 5.222 1.556 0.662 0.409 1.000 0.600 CA 0.993 6 residues pruned to eliminate duplicates Z: 31 22.879 1.964 0.788 0.658 0.967 0.533 CB 1.063 27 residues pruned to eliminate duplicates Z: 12 11.488 1.734 0.508 0.662 1.000 0.818 CA 1.140 12 residues pruned to eliminate duplicates Z: 19 12.830 1.801 0.479 0.517 0.889 0.722 CB 1.256 19 residues pruned to eliminate duplicates Z: 33 25.251 1.899 0.739 0.654 0.938 0.500 CB 1.249 33 residues pruned to eliminate duplicates Z: 23 16.440 1.804 0.558 0.579 1.000 0.727 CA 1.155 23 residues pruned to eliminate duplicates Z: 20 11.759 1.682 0.553 0.497 0.947 0.737 CA 1.093 20 residues pruned to eliminate duplicates Z: 31 25.931 1.994 0.702 0.687 0.967 0.533 CB 1.216 31 residues pruned to eliminate duplicates Z: 47 23.017 1.894 0.563 0.572 0.870 0.413 CB 1.230 47 residues pruned to eliminate duplicates Z: 48 20.459 1.883 0.418 0.550 0.872 0.553 CB 1.221 48 residues pruned to eliminate duplicates Z: 31 22.100 1.906 0.623 0.692 0.867 0.533 CB 1.263 31 residues pruned to eliminate duplicates Z: 41 19.347 1.807 0.559 0.584 0.875 0.450 CB 1.145 41 residues pruned to eliminate duplicates Z: 12 7.926 1.680 0.402 0.425 0.909 0.636 CB 1.207 12 residues pruned to eliminate duplicates Z: 11 7.381 1.704 0.322 0.714 0.800 0.600 CA 1.067 11 residues pruned to eliminate duplicates Z: 11 8.214 1.719 0.481 0.394 1.000 0.500 CA 1.142 11 residues pruned to eliminate duplicates Z: 7 2.324 1.357 0.134 0.233 0.833 0.667 CB 1.009 7 residues pruned to eliminate duplicates Z: 29 15.487 1.738 0.386 0.531 0.929 0.607 CA 1.269 29 residues pruned to eliminate duplicates Z: 11 5.884 1.720 0.272 0.372 0.900 0.400 CB 1.084 11 residues pruned to eliminate duplicates Z: 25 13.302 1.770 0.414 0.457 0.917 0.542 CB 1.237 24 residues pruned to eliminate duplicates Z: 6 7.599 1.739 0.443 0.585 1.000 0.600 CA 1.248 7 residues pruned to eliminate duplicates Z: 11 15.377 2.014 0.736 0.628 1.000 0.700 CA 1.232 11 residues pruned to eliminate duplicates Z: 19 21.203 2.125 0.739 0.529 0.889 0.556 CA 1.479 19 residues pruned to eliminate duplicates Z: 25 27.189 2.132 0.727 0.555 0.917 0.625 CA 1.558 25 residues pruned to eliminate duplicates Z: 31 21.486 2.000 0.573 0.509 0.833 0.433 CB 1.484 31 residues pruned to eliminate duplicates Z: 22 20.375 2.048 0.837 0.417 0.905 0.381 CA 1.424 22 residues pruned to eliminate duplicates Z: 25 27.964 2.163 0.660 0.570 0.917 0.667 CA 1.621 25 residues pruned to eliminate duplicates Z: 19 22.726 2.072 0.806 0.563 0.944 0.444 CA 1.426 19 residues pruned to eliminate duplicates Z: 24 19.568 1.962 0.852 0.380 0.870 0.391 CA 1.468 24 residues pruned to eliminate duplicates Z: 20 19.977 2.166 0.444 0.536 0.895 0.684 CA 1.580 20 residues pruned to eliminate duplicates Z: 19 21.633 2.158 0.653 0.567 0.889 0.833 CA 1.507 19 residues pruned to eliminate duplicates Z: 26 24.859 2.077 0.662 0.492 0.920 0.560 CB 1.577 26 residues pruned to eliminate duplicates Z: 19 20.886 2.083 0.701 0.483 1.000 0.444 CA 1.413 19 residues pruned to eliminate duplicates Z: 18 21.972 2.185 0.584 0.507 1.000 0.588 CA 1.529 18 residues pruned to eliminate duplicates Z: 24 21.770 2.061 0.687 0.494 0.826 0.652 CA 1.589 24 residues pruned to eliminate duplicates Z: 47 39.911 2.107 0.721 0.668 0.957 0.457 CB 1.453 47 residues pruned to eliminate duplicates Z: 48 36.978 2.085 0.603 0.662 0.957 0.489 CB 1.450 48 residues pruned to eliminate duplicates Z: 52 38.788 2.101 0.563 0.679 0.961 0.490 CB 1.460 52 residues pruned to eliminate duplicates Z: 47 31.309 2.026 0.569 0.704 0.957 0.565 CB 1.262 47 residues pruned to eliminate duplicates Z: 47 33.809 2.018 0.573 0.712 0.957 0.587 CB 1.355 47 residues pruned to eliminate duplicates Z: 48 27.157 1.977 0.528 0.665 0.872 0.596 CB 1.290 48 residues pruned to eliminate duplicates Z: 46 35.900 2.046 0.590 0.715 0.956 0.489 CB 1.417 46 residues pruned to eliminate duplicates Z: 48 33.105 2.002 0.483 0.692 1.000 0.617 CB 1.365 48 residues pruned to eliminate duplicates Z: 52 31.557 1.930 0.490 0.678 0.941 0.627 CA 1.386 52 residues pruned to eliminate duplicates Z: 33 29.349 2.068 0.493 0.734 0.938 0.625 CB 1.452 33 residues pruned to eliminate duplicates Z: 49 32.386 1.996 0.445 0.674 1.000 0.604 CB 1.381 49 residues pruned to eliminate duplicates Z: 47 32.494 2.031 0.468 0.691 0.957 0.587 CB 1.410 47 residues pruned to eliminate duplicates Z: 33 31.487 2.080 0.577 0.730 0.938 0.594 CB 1.471 33 residues pruned to eliminate duplicates Z: 31 31.518 2.082 0.530 0.781 1.000 0.567 CA 1.410 31 residues pruned to eliminate duplicates Z: 48 31.741 1.987 0.546 0.676 0.957 0.511 CB 1.338 48 residues pruned to eliminate duplicates Z: 33 31.769 2.089 0.551 0.734 0.969 0.562 CA 1.450 33 residues pruned to eliminate duplicates Z: 46 31.911 2.057 0.401 0.717 0.978 0.667 CB 1.387 46 residues pruned to eliminate duplicates Z: 32 30.569 1.976 0.666 0.761 0.968 0.516 CA 1.366 32 residues pruned to eliminate duplicates Z: 48 33.116 1.993 0.523 0.697 0.979 0.596 CB 1.359 48 residues pruned to eliminate duplicates Z: 35 28.979 1.958 0.602 0.691 0.941 0.618 CB 1.413 35 residues pruned to eliminate duplicates Z: 48 32.201 2.015 0.513 0.681 1.000 0.596 CB 1.305 48 residues pruned to eliminate duplicates Z: 30 28.220 2.081 0.637 0.791 0.862 0.414 CB 1.382 30 residues pruned to eliminate duplicates Z: 46 40.592 2.135 0.730 0.675 0.933 0.489 CB 1.494 46 residues pruned to eliminate duplicates Z: 33 26.700 1.997 0.645 0.746 0.844 0.250 CB 1.367 33 residues pruned to eliminate duplicates Z: 46 29.262 2.011 0.540 0.672 0.933 0.422 CB 1.288 46 residues pruned to eliminate duplicates Z: 30 32.859 2.056 0.754 0.787 0.931 0.310 CB 1.412 30 residues pruned to eliminate duplicates Z: 31 31.596 2.025 0.723 0.799 0.967 0.367 CB 1.316 31 residues pruned to eliminate duplicates Z: 29 33.639 2.107 0.768 0.829 0.893 0.357 CB 1.438 29 residues pruned to eliminate duplicates Z: 12 20.777 2.140 0.735 0.831 0.909 0.182 CB 1.394 12 residues pruned to eliminate duplicates Z: 22 31.721 2.099 0.900 0.801 0.905 0.619 CB 1.474 22 residues pruned to eliminate duplicates Z: 39 26.598 1.975 0.681 0.661 0.895 0.553 CB 1.251 39 residues pruned to eliminate duplicates Z: 22 32.572 2.107 0.896 0.899 0.952 0.667 CB 1.335 22 residues pruned to eliminate duplicates Z: 22 25.624 2.041 0.832 0.801 0.905 0.619 CB 1.271 22 residues pruned to eliminate duplicates Z: 21 34.452 2.119 1.056 0.844 0.950 0.800 CB 1.385 21 residues pruned to eliminate duplicates Z: 24 30.402 2.031 0.885 0.746 0.913 0.522 CB 1.456 24 residues pruned to eliminate duplicates Z: 22 35.741 2.123 0.903 0.762 1.000 0.476 CB 1.530 22 residues pruned to eliminate duplicates Z: 21 34.105 2.131 1.077 0.839 0.900 0.700 CB 1.430 21 residues pruned to eliminate duplicates Z: 23 32.677 2.064 0.887 0.850 0.955 0.500 CB 1.388 23 residues pruned to eliminate duplicates Z: 19 38.528 2.208 1.076 0.921 0.944 0.500 CB 1.476 19 residues pruned to eliminate duplicates Z: 22 33.117 2.095 1.017 0.796 0.905 0.476 CB 1.459 22 residues pruned to eliminate duplicates Z: 20 37.288 2.173 1.114 0.883 0.947 0.632 CB 1.422 20 residues pruned to eliminate duplicates Z: 20 35.277 2.167 1.058 0.895 0.895 0.421 CB 1.454 20 residues pruned to eliminate duplicates Z: 22 28.534 2.083 0.900 0.808 0.857 0.524 CB 1.403 22 residues pruned to eliminate duplicates Z: 23 31.432 2.065 0.962 0.815 0.909 0.545 CB 1.383 23 residues pruned to eliminate duplicates Z: 28 28.963 1.922 0.897 0.717 0.889 0.519 CB 1.413 28 residues pruned to eliminate duplicates Z: 23 35.151 2.047 1.002 0.860 0.955 0.318 CB 1.408 23 residues pruned to eliminate duplicates Z: 69 39.027 2.016 0.706 0.687 0.897 0.574 CB 1.292 69 residues pruned to eliminate duplicates Z: 26 30.199 2.007 0.980 0.784 0.840 0.560 CB 1.409 26 residues pruned to eliminate duplicates Z: 26 28.982 1.989 0.927 0.819 0.880 0.480 CB 1.304 26 residues pruned to eliminate duplicates Z: 28 28.657 1.953 0.904 0.770 0.889 0.556 CB 1.313 28 residues pruned to eliminate duplicates Z: 38 28.093 1.999 0.654 0.727 0.892 0.459 CB 1.276 38 residues pruned to eliminate duplicates Z: 71 40.078 2.013 0.708 0.670 0.914 0.571 CB 1.302 71 residues pruned to eliminate duplicates Z: 20 18.792 1.896 0.441 0.776 0.947 0.684 CB 1.306 20 residues pruned to eliminate duplicates Z: 23 21.761 1.973 0.952 0.606 0.909 0.409 CB 1.198 23 residues pruned to eliminate duplicates Z: 47 33.074 1.941 0.851 0.666 0.935 0.478 CB 1.245 47 residues pruned to eliminate duplicates Z: 69 45.598 2.045 0.837 0.702 0.941 0.559 CB 1.301 69 residues pruned to eliminate duplicates Z: 37 33.218 2.046 0.897 0.687 0.889 0.528 CB 1.352 37 residues pruned to eliminate duplicates Z: 47 33.500 1.998 0.906 0.719 0.826 0.304 CB 1.287 47 residues pruned to eliminate duplicates Z: 36 29.975 2.120 0.689 0.638 0.971 0.829 CA 1.281 36 residues pruned to eliminate duplicates Z: 44 33.858 2.080 0.850 0.669 0.884 0.581 CB 1.298 44 residues pruned to eliminate duplicates Z: 23 21.947 1.943 0.872 0.607 0.909 0.682 CB 1.279 23 residues pruned to eliminate duplicates Z: 67 45.662 2.078 0.905 0.732 0.879 0.652 CB 1.311 68 residues pruned to eliminate duplicates Z: 13 21.212 2.046 0.788 0.879 1.000 0.500 CB 1.214 13 residues pruned to eliminate duplicates Z: 22 27.290 2.049 0.987 0.713 0.952 0.714 CB 1.266 22 residues pruned to eliminate duplicates Z: 12 15.005 2.013 0.952 0.625 0.818 0.364 CB 1.252 12 residues pruned to eliminate duplicates Z: 45 34.665 2.041 0.837 0.668 0.909 0.568 CB 1.312 44 residues pruned to eliminate duplicates Z: 17 19.673 1.974 0.975 0.859 0.812 0.625 CB 1.143 17 residues pruned to eliminate duplicates Z: 62 50.082 2.091 0.972 0.732 0.918 0.607 CB 1.376 62 residues pruned to eliminate duplicates Z: 66 48.317 2.088 0.946 0.747 0.908 0.677 CB 1.304 68 residues pruned to eliminate duplicates Z: 11 26.419 2.168 0.928 0.900 1.000 0.800 CB 1.428 11 residues pruned to eliminate duplicates Z: 28 21.497 2.004 0.578 0.613 0.889 0.593 CB 1.323 28 residues pruned to eliminate duplicates Z: 25 28.636 2.220 0.561 0.715 1.000 0.750 CA 1.389 25 residues pruned to eliminate duplicates Z: 25 30.104 2.200 0.641 0.759 1.000 0.792 CA 1.352 25 residues pruned to eliminate duplicates Z: 33 30.207 2.116 0.544 0.718 0.969 0.625 CB 1.386 32 residues pruned to eliminate duplicates Z: 15 23.663 2.141 0.844 0.781 1.000 0.643 CA 1.251 15 residues pruned to eliminate duplicates Z: 33 31.335 2.103 0.756 0.686 0.938 0.656 CB 1.349 33 residues pruned to eliminate duplicates Z: 26 22.688 2.024 0.741 0.645 0.840 0.400 CB 1.339 26 residues pruned to eliminate duplicates Z: 34 25.720 2.073 0.684 0.680 0.848 0.545 CB 1.281 34 residues pruned to eliminate duplicates Z: 32 33.717 2.162 0.804 0.713 0.968 0.645 CB 1.323 32 residues pruned to eliminate duplicates Z: 33 30.319 2.113 0.727 0.718 0.906 0.656 CB 1.331 33 residues pruned to eliminate duplicates Z: 68 43.212 2.040 0.869 0.733 0.910 0.537 CB 1.234 68 residues pruned to eliminate duplicates Z: 25 32.346 2.200 0.760 0.762 0.958 0.792 CB 1.409 25 residues pruned to eliminate duplicates Z: 37 27.578 2.107 0.568 0.663 0.917 0.611 CA 1.304 37 residues pruned to eliminate duplicates Z: 33 33.004 2.118 0.805 0.684 0.969 0.688 CB 1.330 33 residues pruned to eliminate duplicates Z: 12 26.566 2.228 0.977 0.901 1.000 0.818 CA 1.298 12 residues pruned to eliminate duplicates Z: 33 28.011 2.117 0.705 0.689 0.875 0.625 CB 1.319 33 residues pruned to eliminate duplicates Z: 33 30.371 2.102 0.820 0.709 0.906 0.656 CB 1.280 33 residues pruned to eliminate duplicates Z: 33 23.564 2.069 0.468 0.708 0.906 0.688 CB 1.253 33 residues pruned to eliminate duplicates Z: 9 3.412 1.538 -0.067 0.518 0.875 0.625 CB 0.944 9 residues pruned to eliminate duplicates Z: 43 26.590 2.045 0.636 0.624 0.905 0.619 CB 1.206 43 residues pruned to eliminate duplicates Z: 18 14.019 1.893 0.487 0.619 0.882 0.588 CB 1.223 18 residues pruned to eliminate duplicates Z: 8 6.533 1.748 0.295 0.668 0.857 0.571 CB 1.090 8 residues pruned to eliminate duplicates Z: 52 30.813 2.011 0.497 0.680 0.922 0.549 CB 1.318 48 residues pruned to eliminate duplicates Z: 7 7.159 1.627 0.270 0.822 1.000 0.833 CB 1.070 7 residues pruned to eliminate duplicates Z: 29 16.855 1.866 0.382 0.688 0.893 0.607 CB 1.164 29 residues pruned to eliminate duplicates Z: 33 16.169 1.809 0.454 0.627 0.844 0.688 CB 1.143 33 residues pruned to eliminate duplicates Z: 29 15.680 1.827 0.513 0.614 0.821 0.393 CB 1.171 29 residues pruned to eliminate duplicates Z: 51 29.673 1.999 0.532 0.637 0.940 0.560 CB 1.282 51 residues pruned to eliminate duplicates Z: 21 14.694 1.885 0.349 0.667 0.900 0.500 CB 1.230 21 residues pruned to eliminate duplicates Z: 52 28.404 1.867 0.505 0.692 0.961 0.569 CB 1.236 50 residues pruned to eliminate duplicates Z: 17 15.234 1.999 0.249 0.833 0.875 0.375 CB 1.307 17 residues pruned to eliminate duplicates Z: 21 17.901 1.892 0.438 0.672 0.950 0.450 CB 1.321 21 residues pruned to eliminate duplicates Z: 43 24.457 1.919 0.570 0.618 0.881 0.429 CB 1.272 43 residues pruned to eliminate duplicates Z: 28 16.242 1.864 0.465 0.594 0.852 0.519 CB 1.229 28 residues pruned to eliminate duplicates Z: 22 12.760 1.876 0.285 0.630 0.857 0.571 CB 1.193 22 residues pruned to eliminate duplicates Z: 26 12.827 1.811 0.340 0.612 0.800 0.400 CB 1.188 26 residues pruned to eliminate duplicates Z: 19 18.420 2.013 0.337 0.738 0.944 0.500 CB 1.379 19 residues pruned to eliminate duplicates Z: 22 13.584 1.850 0.326 0.615 0.905 0.571 CB 1.198 22 residues pruned to eliminate duplicates Z: 45 23.921 1.976 0.461 0.616 0.864 0.568 CB 1.296 45 residues pruned to eliminate duplicates Z: 22 15.408 1.915 0.348 0.689 0.905 0.714 CB 1.211 22 residues pruned to eliminate duplicates Z: 21 16.731 1.926 0.441 0.674 0.900 0.600 CB 1.275 21 residues pruned to eliminate duplicates Z: 17 21.615 1.966 0.560 0.803 1.000 0.812 CB 1.352 17 residues pruned to eliminate duplicates Z: 46 31.857 1.946 0.704 0.732 0.956 0.644 CB 1.216 48 residues pruned to eliminate duplicates Z: 15 19.546 1.994 0.921 0.911 0.929 0.000 CB 1.041 15 residues pruned to eliminate duplicates Z: 21 19.016 1.854 0.697 0.716 0.950 0.300 CB 1.170 21 residues pruned to eliminate duplicates Z: 24 14.469 1.850 0.487 0.658 0.826 0.391 CB 1.147 24 residues pruned to eliminate duplicates Z: 50 23.956 1.854 0.636 0.634 0.878 0.531 CB 1.134 50 residues pruned to eliminate duplicates Z: 31 26.066 1.882 0.797 0.700 0.967 0.700 CB 1.213 29 residues pruned to eliminate duplicates Z: 13 22.040 2.008 0.861 0.831 1.000 0.667 CB 1.280 13 residues pruned to eliminate duplicates Z: 27 20.951 1.961 0.512 0.742 0.923 0.577 CB 1.209 27 residues pruned to eliminate duplicates Z: 48 28.033 1.897 0.588 0.724 0.915 0.574 CB 1.212 48 residues pruned to eliminate duplicates Z: 13 24.514 1.939 0.811 0.833 1.000 0.583 CA 1.512 13 residues pruned to eliminate duplicates Z: 51 30.492 1.913 0.542 0.710 0.980 0.640 CB 1.233 51 residues pruned to eliminate duplicates Z: 28 23.837 1.904 0.530 0.739 1.000 0.593 CB 1.270 28 residues pruned to eliminate duplicates Z: 27 21.623 1.947 0.501 0.736 0.962 0.615 CB 1.221 27 residues pruned to eliminate duplicates Z: 51 30.882 1.921 0.567 0.707 0.980 0.700 CB 1.226 51 residues pruned to eliminate duplicates Z: 26 26.752 1.958 0.626 0.773 1.000 0.720 CB 1.320 26 residues pruned to eliminate duplicates Z: 27 24.044 1.903 0.564 0.735 1.000 0.615 CB 1.283 27 residues pruned to eliminate duplicates Z: 53 29.852 1.877 0.529 0.691 0.981 0.635 CB 1.235 53 residues pruned to eliminate duplicates Z: 51 30.563 1.916 0.557 0.696 0.980 0.640 CB 1.236 51 residues pruned to eliminate duplicates Z: 31 22.623 1.881 0.605 0.673 0.933 0.600 CB 1.250 31 residues pruned to eliminate duplicates Z: 27 22.683 1.924 0.469 0.744 0.962 0.615 CB 1.316 27 residues pruned to eliminate duplicates Z: 26 23.066 1.927 0.423 0.782 0.960 0.800 CA 1.367 26 residues pruned to eliminate duplicates Z: 26 23.308 1.980 0.443 0.770 0.960 0.680 CB 1.338 26 residues pruned to eliminate duplicates Z: 93 40.479 1.941 0.629 0.670 0.946 0.598 CB 1.206 93 residues pruned to eliminate duplicates Z: 52 25.571 1.856 0.571 0.659 0.882 0.510 CB 1.200 52 residues pruned to eliminate duplicates Z: 24 24.312 1.967 0.502 0.788 0.957 0.783 CB 1.393 24 residues pruned to eliminate duplicates Z: 52 26.057 1.903 0.493 0.668 0.902 0.529 CB 1.219 52 residues pruned to eliminate duplicates Z: 31 23.180 1.836 0.616 0.716 0.933 0.600 CB 1.257 31 residues pruned to eliminate duplicates Z: 28 25.458 1.969 0.655 0.745 0.963 0.630 CB 1.253 28 residues pruned to eliminate duplicates Z: 30 24.690 1.889 0.653 0.704 0.966 0.586 CB 1.263 30 residues pruned to eliminate duplicates Z: 51 30.273 1.913 0.615 0.706 0.940 0.480 CB 1.223 51 residues pruned to eliminate duplicates Z: 27 24.009 1.910 0.643 0.745 0.923 0.731 CB 1.306 27 residues pruned to eliminate duplicates Z: 51 30.900 1.910 0.616 0.717 0.920 0.720 CB 1.265 51 residues pruned to eliminate duplicates Z: 10 15.274 1.955 0.371 0.906 1.000 0.556 CB 1.351 10 residues pruned to eliminate duplicates Z: 12 9.367 1.813 0.497 0.671 0.909 0.545 CB 0.978 12 residues pruned to eliminate duplicates Z: 47 33.850 2.032 0.595 0.717 0.935 0.609 CB 1.355 47 residues pruned to eliminate duplicates Z: 12 7.840 1.849 0.290 0.636 0.818 0.273 CB 1.066 12 residues pruned to eliminate duplicates Z: 13 8.174 1.831 0.351 0.576 0.917 0.333 CB 0.968 13 residues pruned to eliminate duplicates Z: 16 11.195 1.635 0.519 0.491 0.933 0.467 CA 1.258 16 residues pruned to eliminate duplicates Z: 22 16.117 1.867 0.539 0.523 0.952 0.667 CB 1.256 22 residues pruned to eliminate duplicates Z: 41 29.053 2.050 0.416 0.650 0.975 0.650 CB 1.412 41 residues pruned to eliminate duplicates Z: 21 15.504 1.828 0.578 0.534 0.950 0.550 CB 1.223 21 residues pruned to eliminate duplicates Z: 48 35.141 2.000 0.562 0.733 0.979 0.638 CB 1.360 48 residues pruned to eliminate duplicates Z: 47 32.379 1.993 0.494 0.707 0.978 0.696 CB 1.358 47 residues pruned to eliminate duplicates Z: 47 35.763 2.045 0.564 0.710 0.978 0.609 CB 1.393 47 residues pruned to eliminate duplicates Z: 57 37.019 1.976 0.562 0.693 0.982 0.714 CB 1.368 74 residues pruned to eliminate duplicates Z: 12 11.642 1.834 0.485 0.739 0.909 0.727 CA 1.144 12 residues pruned to eliminate duplicates Z: 10 18.208 1.944 0.636 0.826 1.000 0.667 CB 1.439 10 residues pruned to eliminate duplicates Z: 12 11.622 1.829 0.471 0.729 0.909 0.818 CA 1.166 12 residues pruned to eliminate duplicates Z: 12 12.553 1.844 0.550 0.650 0.909 0.636 CA 1.267 12 residues pruned to eliminate duplicates Z: 20 11.089 1.692 0.435 0.553 0.947 0.526 CA 1.050 12 residues pruned to eliminate duplicates Z: 11 13.986 1.878 0.488 0.780 1.000 0.700 CA 1.236 11 residues pruned to eliminate duplicates Z: 13 12.830 1.750 0.550 0.781 1.000 0.417 CA 1.066 11 residues pruned to eliminate duplicates Z: 11 13.745 1.879 0.544 0.762 1.000 0.600 CA 1.187 11 residues pruned to eliminate duplicates Z: 11 16.309 1.942 0.470 0.787 1.000 0.500 CA 1.404 12 residues pruned to eliminate duplicates Z: 8 10.399 1.810 0.526 0.891 1.000 0.571 CB 1.023 8 residues pruned to eliminate duplicates Z: 14 9.281 1.707 0.388 0.602 0.846 0.538 CB 1.164 14 residues pruned to eliminate duplicates Z: 18 12.775 1.766 0.552 0.635 0.882 0.647 CB 1.128 18 residues pruned to eliminate duplicates Z: 19 12.592 1.783 0.470 0.640 0.944 0.556 CB 1.052 19 residues pruned to eliminate duplicates Z: 17 8.472 1.777 0.128 0.515 0.875 0.750 CB 1.189 17 residues pruned to eliminate duplicates Z: 15 13.227 1.845 0.448 0.604 0.929 0.714 CB 1.291 15 residues pruned to eliminate duplicates Z: 8 9.579 1.798 0.330 0.888 1.000 0.857 CB 1.091 8 residues pruned to eliminate duplicates Z: 12 12.982 1.829 0.453 0.514 1.000 0.545 CA 1.453 12 residues pruned to eliminate duplicates Z: 46 25.293 1.957 0.372 0.687 0.978 0.667 CB 1.210 46 residues pruned to eliminate duplicates Z: 14 7.934 1.737 0.059 0.534 0.923 0.615 CB 1.254 14 residues pruned to eliminate duplicates Z: 19 14.562 1.780 0.452 0.652 0.944 0.778 CB 1.221 19 residues pruned to eliminate duplicates Z: 43 30.333 1.983 0.509 0.733 1.000 0.571 CB 1.268 43 residues pruned to eliminate duplicates Z: 44 31.937 1.997 0.613 0.747 0.977 0.721 CB 1.242 44 residues pruned to eliminate duplicates Z: 39 27.637 1.983 0.552 0.716 0.921 0.684 CB 1.301 39 residues pruned to eliminate duplicates Z: 18 14.347 1.793 0.463 0.606 0.941 0.706 CB 1.275 18 residues pruned to eliminate duplicates Z: 44 27.521 2.005 0.338 0.724 0.977 0.628 CB 1.309 44 residues pruned to eliminate duplicates Z: 45 29.046 1.981 0.487 0.720 0.955 0.545 CB 1.277 45 residues pruned to eliminate duplicates Z: 40 25.102 1.987 0.392 0.633 0.949 0.590 CB 1.353 40 residues pruned to eliminate duplicates Z: 43 31.314 1.990 0.547 0.713 0.976 0.524 CB 1.325 43 residues pruned to eliminate duplicates Z: 30 29.677 2.066 0.649 0.791 0.966 0.552 CB 1.298 30 residues pruned to eliminate duplicates Z: 43 30.245 2.004 0.513 0.695 0.976 0.619 CB 1.320 43 residues pruned to eliminate duplicates Z: 44 27.547 2.008 0.451 0.721 0.930 0.628 CB 1.269 44 residues pruned to eliminate duplicates Z: 42 29.441 2.019 0.503 0.706 0.951 0.585 CB 1.320 42 residues pruned to eliminate duplicates Z: 43 24.740 1.999 0.297 0.695 0.952 0.571 CB 1.294 43 residues pruned to eliminate duplicates Z: 44 31.981 2.003 0.586 0.722 0.977 0.488 CB 1.287 44 residues pruned to eliminate duplicates Z: 25 33.208 2.189 0.701 0.916 1.000 0.833 CB 1.286 25 residues pruned to eliminate duplicates Z: 31 30.616 2.092 0.560 0.769 1.000 0.633 CB 1.350 31 residues pruned to eliminate duplicates Z: 38 26.725 1.970 0.497 0.681 0.946 0.676 CB 1.334 38 residues pruned to eliminate duplicates Z: 43 30.550 2.007 0.497 0.720 0.952 0.690 CB 1.350 43 residues pruned to eliminate duplicates Z: 44 30.896 2.018 0.489 0.721 0.977 0.651 CB 1.315 44 residues pruned to eliminate duplicates Z: 43 29.778 2.011 0.450 0.731 0.952 0.810 CB 1.345 43 residues pruned to eliminate duplicates Z: 48 27.797 1.898 0.508 0.675 0.979 0.596 CB 1.232 48 residues pruned to eliminate duplicates Z: 25 22.974 2.053 0.467 0.734 0.958 0.750 CB 1.317 25 residues pruned to eliminate duplicates Z: 32 28.835 2.066 0.551 0.776 1.000 0.742 CB 1.267 32 residues pruned to eliminate duplicates Z: 43 28.649 2.017 0.423 0.724 0.976 0.690 CB 1.289 43 residues pruned to eliminate duplicates Z: 30 28.569 2.111 0.556 0.828 0.966 0.586 CB 1.260 30 residues pruned to eliminate duplicates Z: 44 29.466 1.997 0.522 0.704 0.953 0.651 CB 1.287 44 residues pruned to eliminate duplicates Z: 31 29.095 2.058 0.679 0.767 0.933 0.667 CB 1.300 31 residues pruned to eliminate duplicates Z: 31 26.579 2.064 0.473 0.773 0.967 0.633 CB 1.297 31 residues pruned to eliminate duplicates Z: 31 25.909 2.060 0.544 0.782 0.933 0.567 CB 1.243 31 residues pruned to eliminate duplicates Z: 29 33.053 2.119 0.736 0.837 1.000 0.607 CB 1.269 29 residues pruned to eliminate duplicates Z: 30 27.618 2.078 0.706 0.811 0.897 0.621 CB 1.231 30 residues pruned to eliminate duplicates Z: 11 4.634 1.676 0.451 0.349 0.800 0.800 CB 0.888 536 residues left after pruning, divided into chains as follows: A: 17 B: 12 C: 12 D: 7 E: 25 F: 42 G: 38 H: 26 I: 44 J: 80 K: 18 L: 205 M: 10 CC for partial structure against native data = 38.30 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.384, Connect. = 0.707 for dens.mod. cycle 1 = 0.300, Contrast = 0.437, Connect. = 0.731 for dens.mod. cycle 2 = 0.300, Contrast = 0.522, Connect. = 0.761 for dens.mod. cycle 3 = 0.300, Contrast = 0.529, Connect. = 0.763 for dens.mod. cycle 4 = 0.300, Contrast = 0.539, Connect. = 0.765 for dens.mod. cycle 5 = 0.300, Contrast = 0.544, Connect. = 0.766 for dens.mod. cycle 6 = 0.300, Contrast = 0.549, Connect. = 0.768 for dens.mod. cycle 7 = 0.300, Contrast = 0.553, Connect. = 0.768 for dens.mod. cycle 8 = 0.300, Contrast = 0.556, Connect. = 0.769 for dens.mod. cycle 9 = 0.300, Contrast = 0.558, Connect. = 0.770 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2952 peaks > 0.5 sigma used to seed fragment search Space for about 670 unique residues taking solvent into account 685 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 23.460 1.987 0.345 0.924 1.000 0.905 CB 1.346 B: 22 27.513 2.037 0.501 0.943 1.000 0.952 CB 1.361 22 residues pruned to eliminate duplicates C: 8 6.807 2.106 -0.133 0.800 0.857 0.571 CB 1.265 D: 10 22.255 2.241 0.778 0.913 0.889 0.889 CB 1.482 E: 24 28.284 1.987 0.633 0.898 0.957 0.783 CB 1.358 F: 25 32.604 2.218 0.449 0.909 1.000 0.875 CA 1.470 G: 24 29.969 2.136 0.532 0.900 0.957 0.870 CA 1.426 H: 9 12.088 2.022 0.310 0.838 1.000 0.750 CA 1.206 8 residues pruned to eliminate duplicates I: 22 30.182 2.054 0.603 0.932 1.000 0.952 CB 1.397 22 residues pruned to eliminate duplicates J: 26 27.082 2.117 0.400 0.866 0.920 0.400 CA 1.454 26 residues pruned to eliminate duplicates K: 12 19.173 1.804 0.901 0.824 0.909 0.455 CA 1.400 L: 22 32.876 2.128 0.680 0.915 0.952 0.857 CB 1.489 22 residues pruned to eliminate duplicates M: 25 31.247 2.202 0.533 0.912 0.917 0.667 CA 1.460 25 residues pruned to eliminate duplicates N: 11 13.430 1.748 0.364 0.900 0.900 0.900 CA 1.413 O: 14 17.539 2.131 0.421 0.768 0.923 0.769 CB 1.373 P: 8 11.968 2.187 0.254 0.806 1.000 0.714 CA 1.264 8 residues pruned to eliminate duplicates Q: 25 28.613 2.192 0.453 0.885 0.917 0.542 CA 1.444 25 residues pruned to eliminate duplicates R: 7 9.839 2.193 0.005 0.781 1.000 0.667 CA 1.423 7 residues pruned to eliminate duplicates S: 10 19.107 2.231 0.696 0.883 0.889 0.667 CA 1.370 10 residues pruned to eliminate duplicates T: 22 30.336 2.085 0.649 0.929 1.000 0.857 CB 1.347 22 residues pruned to eliminate duplicates U: 10 8.096 1.756 -0.028 0.918 0.889 0.889 CA 1.255 10 residues pruned to eliminate duplicates V: 8 14.692 2.109 0.367 0.902 1.000 0.857 CA 1.373 8 residues pruned to eliminate duplicates W: 17 21.957 1.930 0.485 0.898 1.000 0.812 CB 1.370 X: 12 25.021 2.053 0.750 0.925 1.000 1.000 CB 1.474 Y: 22 25.984 1.996 0.517 0.936 1.000 1.000 CB 1.303 22 residues pruned to eliminate duplicates Z: 24 33.756 2.006 0.890 0.861 0.957 0.609 CB 1.426 24 residues pruned to eliminate duplicates Z: 12 15.323 2.092 0.539 0.879 1.000 0.818 CA 1.041 Z: 17 22.648 2.199 0.545 0.926 0.875 0.500 CA 1.336 17 residues pruned to eliminate duplicates Z: 24 26.140 2.161 0.311 0.855 0.957 0.696 CA 1.484 24 residues pruned to eliminate duplicates Z: 17 18.187 2.014 0.327 0.874 1.000 0.750 CB 1.238 Z: 11 19.689 1.930 0.959 0.865 0.800 0.800 CB 1.508 11 residues pruned to eliminate duplicates Z: 21 28.432 2.235 0.468 0.908 0.900 0.700 CB 1.529 21 residues pruned to eliminate duplicates Z: 19 24.165 2.144 0.644 0.913 0.833 0.444 CB 1.372 19 residues pruned to eliminate duplicates Z: 12 24.993 2.038 1.204 0.846 1.000 0.545 CB 1.247 12 residues pruned to eliminate duplicates Z: 22 34.826 2.059 1.017 0.946 1.000 0.667 CB 1.265 22 residues pruned to eliminate duplicates Z: 6 12.514 2.029 0.476 0.818 1.000 0.800 CB 1.417 Z: 13 19.028 1.992 0.452 0.902 1.000 0.833 CA 1.354 13 residues pruned to eliminate duplicates Z: 11 23.790 2.116 1.225 0.838 1.000 0.700 CB 1.194 11 residues pruned to eliminate duplicates Z: 25 27.326 2.126 0.491 0.894 0.917 0.667 CA 1.377 25 residues pruned to eliminate duplicates Z: 11 20.229 1.903 0.684 0.871 1.000 0.600 CA 1.456 11 residues pruned to eliminate duplicates Z: 21 28.586 2.045 0.647 0.928 1.000 0.900 CB 1.329 21 residues pruned to eliminate duplicates Z: 20 22.077 2.200 0.408 0.913 0.895 0.842 CA 1.293 20 residues pruned to eliminate duplicates Z: 23 27.062 2.112 0.421 0.911 1.000 0.818 CB 1.363 24 residues pruned to eliminate duplicates Z: 21 29.144 2.078 0.746 0.899 0.950 0.800 CB 1.352 21 residues pruned to eliminate duplicates Z: 23 33.661 2.184 0.673 0.909 0.955 0.773 CB 1.461 24 residues pruned to eliminate duplicates Z: 8 16.304 2.229 0.485 0.832 1.000 0.571 CA 1.397 9 residues pruned to eliminate duplicates Z: 16 21.894 1.982 0.479 0.913 1.000 0.867 CB 1.364 16 residues pruned to eliminate duplicates Z: 10 8.884 1.807 0.011 0.850 1.000 0.667 CB 1.201 10 residues pruned to eliminate duplicates Z: 25 29.198 2.105 0.549 0.921 0.917 0.708 CB 1.403 25 residues pruned to eliminate duplicates Z: 14 19.974 1.894 0.545 0.920 1.000 1.000 CB 1.333 13 residues pruned to eliminate duplicates Z: 23 36.828 2.126 0.932 0.898 0.955 0.773 CB 1.432 23 residues pruned to eliminate duplicates Z: 18 19.897 1.875 0.332 0.890 1.000 0.765 CB 1.389 18 residues pruned to eliminate duplicates Z: 22 32.226 2.069 0.917 0.943 0.952 0.429 CB 1.290 22 residues pruned to eliminate duplicates Z: 12 18.092 2.049 0.434 0.901 1.000 0.909 CB 1.325 12 residues pruned to eliminate duplicates Z: 11 21.236 1.947 0.739 0.895 1.000 0.800 CA 1.421 11 residues pruned to eliminate duplicates Z: 22 29.904 2.066 0.711 0.936 1.000 0.952 CB 1.286 22 residues pruned to eliminate duplicates Z: 13 17.675 2.079 0.522 0.907 1.000 1.000 CA 1.146 11 residues pruned to eliminate duplicates Z: 23 37.516 2.132 0.863 0.925 1.000 0.591 CB 1.413 23 residues pruned to eliminate duplicates Z: 11 24.429 2.108 1.045 0.890 1.000 0.500 CB 1.289 10 residues pruned to eliminate duplicates Z: 13 13.410 2.020 0.094 0.922 1.000 0.917 CA 1.231 Z: 11 21.064 2.134 0.861 0.902 0.900 0.600 CA 1.330 11 residues pruned to eliminate duplicates Z: 13 17.852 1.958 0.370 0.893 1.000 1.000 CA 1.379 12 residues pruned to eliminate duplicates Z: 22 37.111 2.151 0.884 0.902 0.952 0.619 CA 1.497 23 residues pruned to eliminate duplicates Z: 25 27.993 2.098 0.451 0.837 1.000 0.750 CB 1.403 25 residues pruned to eliminate duplicates Z: 24 29.167 2.120 0.660 0.867 0.913 0.696 CB 1.385 24 residues pruned to eliminate duplicates Z: 12 24.019 2.045 0.777 0.896 1.000 0.455 CA 1.428 Z: 17 21.511 1.960 0.529 0.843 1.000 0.750 CB 1.337 17 residues pruned to eliminate duplicates Z: 13 17.700 1.970 0.708 0.870 0.917 0.917 CB 1.209 13 residues pruned to eliminate duplicates Z: 11 22.033 2.167 0.593 0.902 1.000 0.800 CB 1.441 11 residues pruned to eliminate duplicates Z: 21 35.479 2.107 0.962 0.943 1.000 0.600 CB 1.330 21 residues pruned to eliminate duplicates Z: 25 31.882 2.219 0.442 0.923 0.958 0.542 CB 1.491 25 residues pruned to eliminate duplicates Z: 11 24.999 2.205 0.965 0.874 0.900 0.700 CB 1.475 11 residues pruned to eliminate duplicates Z: 15 27.195 2.080 0.943 0.907 0.929 0.429 CA 1.377 Z: 17 21.780 1.982 0.509 0.875 1.000 0.625 CB 1.324 16 residues pruned to eliminate duplicates Z: 19 15.551 2.105 0.403 0.484 0.833 0.556 CA 1.513 8 residues pruned to eliminate duplicates Z: 23 21.489 2.121 0.674 0.463 0.864 0.318 CA 1.552 19 residues pruned to eliminate duplicates Z: 12 22.506 2.029 0.622 0.934 1.000 0.909 CB 1.438 12 residues pruned to eliminate duplicates Z: 11 17.308 2.207 0.413 0.920 0.900 0.800 CB 1.373 10 residues pruned to eliminate duplicates Z: 11 20.235 1.929 0.653 0.877 1.000 0.800 CB 1.457 11 residues pruned to eliminate duplicates Z: 15 11.822 1.939 0.018 0.827 0.929 0.714 CB 1.300 15 residues pruned to eliminate duplicates Z: 28 17.065 1.872 0.680 0.629 0.852 0.519 CB 1.086 13 residues pruned to eliminate duplicates Z: 13 24.056 1.988 0.675 0.919 1.000 0.667 CA 1.470 13 residues pruned to eliminate duplicates Z: 24 28.782 2.133 0.515 0.870 0.957 0.739 CA 1.418 24 residues pruned to eliminate duplicates Z: 21 34.266 2.122 0.794 0.934 1.000 0.700 CB 1.403 20 residues pruned to eliminate duplicates Z: 10 11.246 1.891 0.061 0.831 1.000 0.667 CB 1.403 10 residues pruned to eliminate duplicates Z: 16 20.391 1.997 0.523 0.871 1.000 0.733 CB 1.262 16 residues pruned to eliminate duplicates Z: 18 23.604 2.242 0.340 0.909 0.941 0.529 CA 1.437 18 residues pruned to eliminate duplicates Z: 23 33.804 2.087 0.875 0.900 1.000 0.500 CB 1.316 23 residues pruned to eliminate duplicates Z: 34 25.484 1.983 0.736 0.641 0.909 0.515 CB 1.243 32 residues pruned to eliminate duplicates Z: 23 28.857 2.172 0.385 0.937 0.955 0.909 CB 1.491 23 residues pruned to eliminate duplicates Z: 11 22.670 2.084 0.690 0.876 1.000 0.500 CA 1.480 11 residues pruned to eliminate duplicates Z: 14 25.172 1.944 0.874 0.894 1.000 0.769 CA 1.375 14 residues pruned to eliminate duplicates Z: 12 11.134 1.951 0.242 0.867 1.000 0.909 CA 1.013 12 residues pruned to eliminate duplicates Z: 18 19.318 1.861 0.509 0.887 0.882 0.529 CB 1.364 18 residues pruned to eliminate duplicates Z: 16 13.549 1.977 0.032 0.861 1.000 0.733 CB 1.260 16 residues pruned to eliminate duplicates Z: 26 19.907 2.084 0.535 0.559 0.800 0.400 CB 1.469 Z: 10 19.089 1.931 0.621 0.881 1.000 0.667 CA 1.472 10 residues pruned to eliminate duplicates Z: 24 21.731 2.090 0.272 0.890 0.870 0.826 CA 1.410 24 residues pruned to eliminate duplicates Z: 11 26.033 2.067 0.957 0.921 1.000 0.800 CA 1.433 12 residues pruned to eliminate duplicates Z: 23 33.460 2.056 0.849 0.892 0.955 0.545 CB 1.413 23 residues pruned to eliminate duplicates Z: 18 13.428 1.928 0.149 0.801 0.941 0.706 CB 1.201 18 residues pruned to eliminate duplicates Z: 7 12.345 2.077 0.578 0.867 0.833 0.667 CB 1.350 7 residues pruned to eliminate duplicates Z: 11 12.877 1.770 0.450 0.817 1.000 0.900 CA 1.205 11 residues pruned to eliminate duplicates Z: 12 22.262 1.813 0.947 0.874 1.000 0.727 CA 1.384 12 residues pruned to eliminate duplicates Z: 22 21.656 2.013 0.251 0.928 1.000 1.000 CB 1.313 22 residues pruned to eliminate duplicates Z: 7 16.140 2.108 0.567 0.863 1.000 0.667 CB 1.463 7 residues pruned to eliminate duplicates Z: 15 27.438 2.022 0.913 0.891 1.000 0.714 CB 1.363 14 residues pruned to eliminate duplicates Z: 25 25.703 2.091 0.300 0.906 0.958 0.750 CB 1.432 24 residues pruned to eliminate duplicates Z: 15 8.501 1.659 0.275 0.394 1.000 0.643 CB 1.202 Z: 12 16.161 1.935 0.687 0.795 1.000 0.727 CB 1.152 12 residues pruned to eliminate duplicates Z: 11 29.107 2.248 0.980 0.842 1.000 0.700 CB 1.540 11 residues pruned to eliminate duplicates Z: 21 30.386 2.088 0.647 0.926 1.000 0.950 CA 1.386 21 residues pruned to eliminate duplicates Z: 11 16.879 1.903 0.482 0.900 1.000 0.900 CA 1.352 11 residues pruned to eliminate duplicates Z: 23 27.386 2.068 0.577 0.899 0.955 0.682 CB 1.340 23 residues pruned to eliminate duplicates Z: 13 26.194 2.010 0.846 0.923 1.000 0.833 CB 1.432 13 residues pruned to eliminate duplicates Z: 14 19.481 2.024 0.296 0.927 1.000 1.000 CB 1.443 14 residues pruned to eliminate duplicates Z: 21 36.657 2.093 1.006 0.952 1.000 0.800 CB 1.345 22 residues pruned to eliminate duplicates Z: 21 27.947 2.088 0.482 0.940 1.000 0.850 CB 1.402 21 residues pruned to eliminate duplicates Z: 22 32.558 2.066 0.794 0.932 1.000 0.714 CB 1.338 21 residues pruned to eliminate duplicates Z: 25 25.912 2.081 0.752 0.574 0.875 0.458 CA 1.543 26 residues pruned to eliminate duplicates Z: 19 30.111 2.086 0.696 0.938 1.000 0.778 CB 1.394 19 residues pruned to eliminate duplicates Z: 22 28.073 2.226 0.380 0.903 0.952 0.571 CA 1.493 22 residues pruned to eliminate duplicates Z: 8 10.635 2.196 0.163 0.812 0.857 0.714 CA 1.399 8 residues pruned to eliminate duplicates Z: 11 14.778 1.709 0.443 0.871 1.000 0.600 CB 1.383 Z: 16 9.418 1.582 0.643 0.343 0.867 0.533 C 1.280 Z: 13 19.440 2.002 0.872 0.896 1.000 0.917 CA 1.073 13 residues pruned to eliminate duplicates Z: 16 22.286 1.960 0.836 0.889 1.000 0.867 CA 1.152 16 residues pruned to eliminate duplicates Z: 8 13.386 1.973 0.703 0.886 1.000 0.571 CB 1.086 Z: 25 26.349 2.053 0.655 0.866 0.875 0.625 CB 1.324 25 residues pruned to eliminate duplicates Z: 13 23.012 1.997 0.690 0.911 1.000 0.833 CB 1.395 13 residues pruned to eliminate duplicates Z: 21 22.751 2.020 0.546 0.903 0.950 0.600 CB 1.222 21 residues pruned to eliminate duplicates Z: 13 23.231 2.053 0.704 0.913 1.000 0.833 CB 1.357 11 residues pruned to eliminate duplicates Z: 54 32.530 2.031 0.632 0.572 0.925 0.623 CA 1.361 42 residues pruned to eliminate duplicates Z: 10 10.324 2.067 0.132 0.910 0.889 0.889 CA 1.173 10 residues pruned to eliminate duplicates Z: 23 32.844 2.100 0.689 0.894 1.000 0.727 CB 1.416 23 residues pruned to eliminate duplicates Z: 7 5.885 1.728 0.258 0.735 1.000 0.667 CB 0.895 7 residues pruned to eliminate duplicates Z: 23 33.212 2.263 0.520 0.914 0.955 0.364 CB 1.525 23 residues pruned to eliminate duplicates Z: 25 27.407 2.164 0.352 0.880 1.000 0.750 CA 1.386 25 residues pruned to eliminate duplicates Z: 12 13.585 1.718 0.365 0.864 1.000 0.909 CA 1.281 Z: 9 9.310 1.494 0.201 0.835 1.000 0.625 CA 1.375 Z: 22 27.163 2.052 0.469 0.927 1.000 0.857 CA 1.378 22 residues pruned to eliminate duplicates Z: 41 30.008 2.067 0.545 0.539 0.950 0.575 CB 1.505 41 residues pruned to eliminate duplicates Z: 11 14.879 1.722 0.461 0.838 1.000 0.800 CA 1.397 10 residues pruned to eliminate duplicates Z: 25 35.579 2.242 0.496 0.930 1.000 0.583 CB 1.514 25 residues pruned to eliminate duplicates Z: 12 9.801 1.660 0.202 0.788 1.000 0.727 CA 1.151 12 residues pruned to eliminate duplicates Z: 17 18.784 1.860 0.671 0.658 0.875 0.812 CA 1.492 12 residues pruned to eliminate duplicates Z: 8 12.731 1.978 0.320 0.905 1.000 1.000 CB 1.311 8 residues pruned to eliminate duplicates Z: 12 16.266 1.780 0.568 0.828 1.000 0.636 CA 1.324 12 residues pruned to eliminate duplicates Z: 10 10.258 1.811 0.190 0.812 1.000 0.778 CB 1.210 10 residues pruned to eliminate duplicates Z: 26 24.011 2.129 0.312 0.880 0.880 0.600 CA 1.417 26 residues pruned to eliminate duplicates Z: 10 15.390 1.849 0.570 0.830 1.000 0.667 CB 1.329 11 residues pruned to eliminate duplicates Z: 13 23.726 2.020 0.983 0.921 1.000 0.417 CB 1.203 13 residues pruned to eliminate duplicates Z: 12 19.729 1.998 0.697 0.918 1.000 0.818 CB 1.237 12 residues pruned to eliminate duplicates Z: 10 5.936 1.705 0.189 0.417 0.889 0.778 CB 1.196 Z: 14 27.305 1.986 0.911 0.915 0.923 0.769 CA 1.527 14 residues pruned to eliminate duplicates Z: 12 22.305 2.114 0.566 0.906 1.000 0.909 CA 1.445 12 residues pruned to eliminate duplicates Z: 26 25.701 2.152 0.416 0.893 0.920 0.600 CA 1.317 26 residues pruned to eliminate duplicates Z: 12 16.505 1.721 0.573 0.873 1.000 0.818 CA 1.339 12 residues pruned to eliminate duplicates Z: 15 7.467 1.758 0.164 0.479 0.857 0.429 CB 1.161 Z: 9 7.663 1.774 0.201 0.873 0.750 0.625 CB 1.234 9 residues pruned to eliminate duplicates Z: 9 16.472 2.210 0.437 0.912 1.000 1.000 CB 1.299 9 residues pruned to eliminate duplicates Z: 15 22.278 2.180 0.477 0.826 1.000 0.571 CA 1.395 15 residues pruned to eliminate duplicates Z: 10 16.698 2.184 0.722 0.881 1.000 0.556 CA 1.072 10 residues pruned to eliminate duplicates Z: 14 26.112 2.114 0.705 0.904 1.000 0.846 CB 1.431 14 residues pruned to eliminate duplicates Z: 18 18.065 1.801 0.520 0.638 1.000 0.882 CA 1.407 17 residues pruned to eliminate duplicates Z: 9 8.975 1.678 0.571 0.902 1.000 0.625 CB 0.858 Z: 22 25.983 2.007 0.551 0.914 1.000 0.857 CB 1.288 22 residues pruned to eliminate duplicates Z: 13 27.102 2.061 0.984 0.936 1.000 0.583 CB 1.333 13 residues pruned to eliminate duplicates Z: 18 15.799 2.086 0.546 0.505 0.882 0.353 CA 1.340 18 residues pruned to eliminate duplicates Z: 35 23.256 1.941 0.708 0.606 0.941 0.471 CB 1.156 35 residues pruned to eliminate duplicates Z: 10 21.427 2.042 0.994 0.802 1.000 0.667 CB 1.348 11 residues pruned to eliminate duplicates Z: 8 10.963 1.833 0.500 0.848 1.000 0.714 CB 1.117 Z: 6 10.062 1.722 0.415 0.733 1.000 0.600 CA 1.497 Z: 10 17.621 1.900 0.571 0.863 1.000 0.556 CB 1.444 10 residues pruned to eliminate duplicates Z: 9 10.068 1.846 0.220 0.889 1.000 0.625 CB 1.138 9 residues pruned to eliminate duplicates Z: 53 31.269 1.972 0.511 0.652 0.942 0.635 CB 1.340 53 residues pruned to eliminate duplicates Z: 10 10.212 2.057 0.124 0.804 0.778 0.667 CA 1.451 10 residues pruned to eliminate duplicates Z: 10 5.185 1.939 0.364 0.205 0.778 0.556 CB 1.192 Z: 17 25.488 1.914 0.676 0.885 1.000 0.688 CB 1.434 18 residues pruned to eliminate duplicates Z: 8 13.835 1.913 0.467 0.852 1.000 0.571 CA 1.379 8 residues pruned to eliminate duplicates Z: 11 14.307 1.818 0.293 0.834 1.000 0.600 CB 1.443 10 residues pruned to eliminate duplicates Z: 11 12.644 1.770 0.146 0.842 1.000 0.800 CA 1.469 11 residues pruned to eliminate duplicates Z: 12 12.027 2.046 0.052 0.879 1.000 0.818 CA 1.221 12 residues pruned to eliminate duplicates Z: 13 13.944 1.894 0.243 0.909 1.000 0.833 CA 1.214 13 residues pruned to eliminate duplicates Z: 18 16.891 1.931 0.734 0.547 0.882 0.588 CA 1.324 15 residues pruned to eliminate duplicates Z: 10 14.098 1.900 0.471 0.832 1.000 0.778 CB 1.262 Z: 16 17.054 1.977 0.370 0.852 1.000 0.800 CB 1.203 16 residues pruned to eliminate duplicates Z: 22 38.375 2.170 0.877 0.956 1.000 0.857 CB 1.412 22 residues pruned to eliminate duplicates Z: 6 8.112 1.789 0.968 0.837 1.000 0.600 CA 0.771 Z: 12 5.430 1.553 0.512 0.631 0.636 0.364 CB 0.969 12 residues pruned to eliminate duplicates Z: 11 19.901 2.116 0.804 0.817 0.900 0.400 CB 1.391 11 residues pruned to eliminate duplicates Z: 9 9.953 1.797 0.275 0.824 1.000 0.750 CA 1.160 9 residues pruned to eliminate duplicates Z: 11 13.600 1.740 0.576 0.877 0.900 0.500 CB 1.266 11 residues pruned to eliminate duplicates Z: 12 13.710 1.658 0.342 0.894 1.000 0.818 CB 1.332 12 residues pruned to eliminate duplicates Z: 15 22.884 2.065 0.730 0.879 0.929 0.714 CA 1.338 15 residues pruned to eliminate duplicates Z: 17 22.527 2.207 0.262 0.908 1.000 0.938 CA 1.436 17 residues pruned to eliminate duplicates Z: 7 8.421 1.816 0.354 0.883 1.000 0.833 CB 1.010 7 residues pruned to eliminate duplicates Z: 9 12.161 1.726 0.470 0.871 1.000 0.875 CA 1.236 9 residues pruned to eliminate duplicates Z: 15 20.757 1.862 1.022 0.825 0.929 0.500 CA 1.198 15 residues pruned to eliminate duplicates Z: 23 25.980 2.190 0.286 0.890 1.000 0.773 CB 1.415 23 residues pruned to eliminate duplicates Z: 7 7.957 1.804 0.196 0.872 1.000 0.833 CB 1.097 7 residues pruned to eliminate duplicates Z: 14 17.847 1.983 0.338 0.897 1.000 1.000 CB 1.336 14 residues pruned to eliminate duplicates Z: 23 34.695 2.093 0.942 0.911 0.955 0.636 CB 1.351 23 residues pruned to eliminate duplicates Z: 11 18.172 2.059 0.404 0.897 1.000 0.900 CB 1.423 11 residues pruned to eliminate duplicates Z: 15 18.279 1.839 0.676 0.844 1.000 0.643 CB 1.179 15 residues pruned to eliminate duplicates Z: 7 9.284 2.043 0.086 0.838 1.000 0.333 CB 1.277 7 residues pruned to eliminate duplicates Z: 6 4.691 1.877 0.416 0.313 0.800 0.400 CB 1.214 7 residues pruned to eliminate duplicates Z: 6 11.513 2.022 0.293 0.884 1.000 0.800 CB 1.422 6 residues pruned to eliminate duplicates Z: 7 5.543 1.825 0.037 0.368 1.000 0.500 CB 1.377 Z: 24 28.465 2.150 0.441 0.904 0.957 0.739 CA 1.426 24 residues pruned to eliminate duplicates Z: 18 26.229 1.889 0.835 0.900 0.941 0.706 CB 1.393 17 residues pruned to eliminate duplicates Z: 16 15.547 1.951 0.285 0.815 1.000 0.600 CB 1.218 16 residues pruned to eliminate duplicates Z: 12 4.438 1.617 0.221 0.450 0.727 0.455 CB 0.981 Z: 13 26.633 2.036 0.972 0.924 1.000 0.417 CB 1.344 13 residues pruned to eliminate duplicates Z: 23 27.458 2.170 0.438 0.896 1.000 0.909 CB 1.344 23 residues pruned to eliminate duplicates Z: 9 12.024 1.933 0.618 0.795 0.875 0.625 CA 1.201 9 residues pruned to eliminate duplicates Z: 14 18.539 2.012 0.584 0.829 0.923 0.538 CB 1.315 14 residues pruned to eliminate duplicates Z: 25 27.669 2.135 0.565 0.937 0.958 0.875 CB 1.227 25 residues pruned to eliminate duplicates Z: 24 32.662 2.166 0.736 0.939 0.957 0.696 CB 1.316 24 residues pruned to eliminate duplicates Z: 12 11.828 2.064 -0.051 0.877 1.000 0.818 CA 1.322 12 residues pruned to eliminate duplicates Z: 21 30.216 2.048 0.668 0.920 1.000 0.900 CA 1.393 21 residues pruned to eliminate duplicates Z: 25 31.168 2.099 0.593 0.892 1.000 0.833 CB 1.366 25 residues pruned to eliminate duplicates Z: 30 23.951 1.917 0.636 0.666 0.897 0.621 CB 1.356 28 residues pruned to eliminate duplicates Z: 18 19.093 1.887 0.432 0.897 0.941 0.824 CB 1.303 18 residues pruned to eliminate duplicates Z: 8 7.050 1.740 0.485 0.727 0.857 0.429 CB 0.980 8 residues pruned to eliminate duplicates Z: 13 19.360 2.036 0.531 0.890 1.000 0.667 CB 1.290 13 residues pruned to eliminate duplicates Z: 9 10.861 1.847 0.296 0.897 1.000 0.875 CB 1.148 8 residues pruned to eliminate duplicates Z: 7 4.231 1.797 0.453 0.330 0.667 0.500 CB 1.195 7 residues pruned to eliminate duplicates Z: 12 12.893 1.590 0.475 0.832 1.000 1.000 CA 1.245 12 residues pruned to eliminate duplicates Z: 17 15.432 1.899 0.455 0.819 0.938 0.812 CB 1.129 17 residues pruned to eliminate duplicates Z: 13 12.456 2.047 0.167 0.837 0.917 0.583 CB 1.228 13 residues pruned to eliminate duplicates Z: 24 25.871 2.128 0.317 0.901 0.957 0.913 CB 1.436 24 residues pruned to eliminate duplicates Z: 10 12.418 1.921 0.121 0.869 1.000 0.889 CB 1.404 10 residues pruned to eliminate duplicates Z: 16 17.154 1.889 0.440 0.734 0.933 0.867 CB 1.414 15 residues pruned to eliminate duplicates Z: 8 10.703 1.658 0.437 0.838 1.000 0.714 N 1.270 7 residues pruned to eliminate duplicates Z: 19 13.129 1.842 0.622 0.520 0.833 0.500 CB 1.218 19 residues pruned to eliminate duplicates Z: 36 24.603 1.926 0.679 0.684 0.943 0.486 CB 1.152 36 residues pruned to eliminate duplicates Z: 16 15.289 2.003 0.431 0.810 0.933 0.467 CB 1.126 16 residues pruned to eliminate duplicates Z: 17 23.390 1.976 0.620 0.871 1.000 0.625 CB 1.332 17 residues pruned to eliminate duplicates Z: 12 14.362 1.614 0.589 0.862 1.000 0.727 CB 1.240 12 residues pruned to eliminate duplicates Z: 11 16.940 2.007 0.482 0.898 1.000 0.900 CA 1.289 11 residues pruned to eliminate duplicates Z: 7 3.713 1.549 0.177 0.413 0.833 0.833 O 1.093 Z: 7 8.454 1.664 0.326 0.824 1.000 0.500 CA 1.182 7 residues pruned to eliminate duplicates Z: 11 9.299 1.678 0.357 0.929 1.000 0.700 CB 0.904 Z: 20 13.493 2.013 0.454 0.449 0.789 0.316 CB 1.412 20 residues pruned to eliminate duplicates Z: 24 27.572 2.203 0.278 0.903 0.957 0.696 CA 1.522 24 residues pruned to eliminate duplicates Z: 26 26.325 2.137 0.367 0.890 0.960 0.680 CA 1.351 26 residues pruned to eliminate duplicates Z: 26 30.559 2.139 0.488 0.935 1.000 0.880 CA 1.338 26 residues pruned to eliminate duplicates Z: 23 15.429 2.027 0.475 0.388 0.864 0.409 CA 1.434 23 residues pruned to eliminate duplicates Z: 23 18.063 1.950 0.631 0.401 0.864 0.500 CA 1.556 17 residues pruned to eliminate duplicates Z: 8 17.379 2.216 0.492 0.904 1.000 1.000 CB 1.415 8 residues pruned to eliminate duplicates Z: 25 23.838 2.108 0.300 0.870 0.917 0.750 CB 1.414 25 residues pruned to eliminate duplicates Z: 23 27.055 2.017 0.536 0.925 1.000 0.818 CB 1.306 23 residues pruned to eliminate duplicates Z: 29 37.945 2.149 0.707 0.832 1.000 0.643 CB 1.468 29 residues pruned to eliminate duplicates Z: 22 34.085 2.138 0.944 0.947 0.905 0.667 CB 1.367 22 residues pruned to eliminate duplicates Z: 10 8.416 1.742 0.146 0.877 1.000 1.000 CA 1.020 9 residues pruned to eliminate duplicates Z: 43 28.395 1.988 0.386 0.699 0.976 0.452 CB 1.359 31 residues pruned to eliminate duplicates Z: 13 23.659 2.057 0.852 0.913 1.000 1.000 CB 1.269 13 residues pruned to eliminate duplicates Z: 22 28.913 2.200 0.375 0.944 1.000 0.905 CB 1.445 22 residues pruned to eliminate duplicates Z: 6 3.064 1.724 0.490 0.356 0.600 0.400 CA 1.039 6 residues pruned to eliminate duplicates Z: 12 20.531 2.096 0.596 0.914 1.000 1.000 CA 1.309 12 residues pruned to eliminate duplicates Z: 12 15.678 1.651 0.483 0.865 1.000 0.545 CB 1.415 12 residues pruned to eliminate duplicates Z: 13 17.922 2.034 0.585 0.669 0.917 0.500 CB 1.498 13 residues pruned to eliminate duplicates Z: 9 16.324 2.201 0.274 0.870 1.000 0.875 CA 1.503 9 residues pruned to eliminate duplicates Z: 24 27.001 2.210 0.375 0.929 0.870 0.435 CB 1.491 24 residues pruned to eliminate duplicates Z: 8 10.333 1.655 0.540 0.786 1.000 0.571 CB 1.192 6 residues pruned to eliminate duplicates Z: 16 19.940 2.034 0.453 0.870 1.000 0.733 CB 1.272 16 residues pruned to eliminate duplicates Z: 6 6.367 1.878 0.521 0.295 0.800 0.400 CB 1.567 Z: 10 12.650 1.862 0.701 0.778 0.889 0.667 CA 1.172 10 residues pruned to eliminate duplicates Z: 22 32.389 2.083 0.909 0.940 0.952 0.810 CB 1.297 22 residues pruned to eliminate duplicates Z: 10 15.813 1.947 0.684 0.905 1.000 0.556 CB 1.144 10 residues pruned to eliminate duplicates Z: 8 5.851 1.471 0.565 0.685 0.714 0.286 O 1.136 7 residues pruned to eliminate duplicates Z: 45 23.366 1.858 0.651 0.608 0.841 0.477 CB 1.232 47 residues pruned to eliminate duplicates Z: 6 9.532 1.962 0.713 0.656 0.800 0.800 CB 1.372 6 residues pruned to eliminate duplicates Z: 18 24.010 2.167 0.394 0.916 0.941 0.765 CB 1.447 18 residues pruned to eliminate duplicates Z: 12 21.863 1.997 1.012 0.816 1.000 0.545 CB 1.246 12 residues pruned to eliminate duplicates Z: 13 10.683 1.666 0.356 0.915 1.000 0.833 CB 0.964 11 residues pruned to eliminate duplicates Z: 6 2.351 1.590 -0.050 0.444 0.800 0.800 CB 0.922 Z: 34 18.676 1.945 0.590 0.608 0.879 0.515 CB 1.079 34 residues pruned to eliminate duplicates Z: 7 8.340 1.779 0.305 0.889 1.000 0.833 CB 1.056 8 residues pruned to eliminate duplicates Z: 10 11.293 1.906 0.511 0.868 0.889 0.778 CB 1.075 10 residues pruned to eliminate duplicates Z: 26 29.460 2.095 0.499 0.820 1.000 0.680 CB 1.422 26 residues pruned to eliminate duplicates Z: 11 23.721 1.942 0.834 0.926 1.000 0.900 CB 1.477 11 residues pruned to eliminate duplicates Z: 37 28.484 2.032 0.668 0.598 0.833 0.583 CA 1.531 37 residues pruned to eliminate duplicates Z: 11 13.398 1.806 0.455 0.829 0.800 0.600 CB 1.516 11 residues pruned to eliminate duplicates Z: 6 4.641 1.697 -0.254 0.717 1.000 0.800 C 1.347 6 residues pruned to eliminate duplicates Z: 10 6.512 1.678 0.078 0.792 1.000 0.556 CA 0.929 10 residues pruned to eliminate duplicates Z: 6 13.583 2.123 0.223 0.867 1.000 1.000 CA 1.712 6 residues pruned to eliminate duplicates Z: 16 15.912 1.929 0.741 0.730 0.867 0.800 CA 1.148 16 residues pruned to eliminate duplicates Z: 14 16.592 1.957 0.563 0.836 1.000 0.462 CB 1.126 14 residues pruned to eliminate duplicates Z: 11 5.742 1.496 0.620 0.538 0.800 0.700 CB 0.903 Z: 12 13.280 1.772 0.241 0.856 1.000 0.727 CB 1.342 12 residues pruned to eliminate duplicates Z: 11 18.073 1.976 0.717 0.814 1.000 0.800 CA 1.281 11 residues pruned to eliminate duplicates Z: 12 6.812 1.791 0.255 0.571 0.818 0.636 CB 1.043 12 residues pruned to eliminate duplicates Z: 8 12.789 1.841 0.689 0.857 1.000 1.000 CA 1.146 8 residues pruned to eliminate duplicates Z: 25 30.845 2.195 0.461 0.910 1.000 0.875 CA 1.393 25 residues pruned to eliminate duplicates Z: 13 17.538 1.767 0.880 0.733 1.000 0.750 CA 1.236 13 residues pruned to eliminate duplicates Z: 12 19.481 1.989 0.813 0.855 1.000 0.727 CA 1.202 12 residues pruned to eliminate duplicates Z: 23 30.136 2.115 0.483 0.901 1.000 0.818 CA 1.462 23 residues pruned to eliminate duplicates Z: 10 13.530 1.869 0.730 0.719 0.889 0.556 CB 1.288 10 residues pruned to eliminate duplicates Z: 46 38.663 2.082 0.555 0.725 1.000 0.533 CB 1.453 46 residues pruned to eliminate duplicates Z: 25 20.662 2.103 0.460 0.465 0.875 0.417 CB 1.627 25 residues pruned to eliminate duplicates Z: 15 5.388 1.680 0.376 0.417 0.857 0.714 CB 0.793 13 residues pruned to eliminate duplicates Z: 20 22.265 1.989 0.996 0.655 0.842 0.632 CB 1.323 20 residues pruned to eliminate duplicates Z: 7 15.078 2.001 0.550 0.860 1.000 0.833 CA 1.459 7 residues pruned to eliminate duplicates Z: 23 29.621 1.976 0.725 0.901 1.000 0.682 CB 1.323 23 residues pruned to eliminate duplicates Z: 7 7.551 1.613 -0.044 0.899 1.000 1.000 CB 1.429 7 residues pruned to eliminate duplicates Z: 10 18.270 1.932 0.747 0.892 0.889 0.556 CB 1.459 10 residues pruned to eliminate duplicates Z: 10 22.191 2.017 0.704 0.898 1.000 0.889 CA 1.539 10 residues pruned to eliminate duplicates Z: 21 31.946 2.018 1.095 0.948 0.950 0.300 CB 1.229 21 residues pruned to eliminate duplicates Z: 44 28.436 1.977 0.390 0.749 0.977 0.698 CB 1.293 44 residues pruned to eliminate duplicates Z: 12 17.787 2.043 0.528 0.707 1.000 0.818 CA 1.424 12 residues pruned to eliminate duplicates Z: 17 17.517 1.763 0.547 0.696 0.938 0.812 CB 1.432 17 residues pruned to eliminate duplicates Z: 6 2.522 1.437 -0.132 0.391 1.000 0.400 N 1.014 Z: 8 3.528 1.880 0.022 0.349 0.857 0.571 CB 0.953 8 residues pruned to eliminate duplicates Z: 26 22.450 2.040 0.760 0.554 0.840 0.400 CB 1.412 26 residues pruned to eliminate duplicates Z: 19 13.969 2.051 0.536 0.362 0.778 0.389 CA 1.560 19 residues pruned to eliminate duplicates Z: 6 9.009 2.048 0.081 0.853 1.000 0.800 CB 1.344 6 residues pruned to eliminate duplicates Z: 9 8.774 1.762 0.315 0.469 1.000 0.625 CB 1.381 9 residues pruned to eliminate duplicates Z: 23 38.045 2.053 1.141 0.933 1.000 0.682 CB 1.287 23 residues pruned to eliminate duplicates Z: 9 14.937 1.725 0.987 0.761 1.000 0.625 CA 1.222 9 residues pruned to eliminate duplicates Z: 11 13.635 1.701 0.323 0.848 1.000 0.700 CA 1.421 11 residues pruned to eliminate duplicates Z: 16 14.391 1.771 0.639 0.657 0.867 0.667 CB 1.277 13 residues pruned to eliminate duplicates Z: 27 18.736 1.726 0.686 0.509 0.846 0.462 CB 1.479 31 residues pruned to eliminate duplicates Z: 10 15.456 1.879 0.320 0.885 1.000 0.667 CA 1.499 10 residues pruned to eliminate duplicates Z: 47 36.480 2.062 0.592 0.708 0.978 0.609 CA 1.387 47 residues pruned to eliminate duplicates Z: 7 10.054 2.095 0.724 0.344 0.833 0.667 CB 1.615 9 residues pruned to eliminate duplicates Z: 23 33.954 2.045 1.014 0.936 0.955 0.545 CB 1.282 23 residues pruned to eliminate duplicates Z: 27 20.770 1.901 0.438 0.728 0.962 0.462 CB 1.262 27 residues pruned to eliminate duplicates Z: 9 4.804 1.824 0.226 0.524 0.875 0.750 CB 0.847 9 residues pruned to eliminate duplicates Z: 6 7.077 2.048 0.045 0.795 1.000 0.400 CB 1.142 6 residues pruned to eliminate duplicates Z: 11 13.777 1.824 0.312 0.784 1.000 0.700 CA 1.417 11 residues pruned to eliminate duplicates Z: 7 10.039 1.529 0.427 0.873 1.000 0.667 N 1.368 7 residues pruned to eliminate duplicates Z: 10 7.207 1.557 0.457 0.458 0.889 0.444 N 1.244 Z: 16 17.768 1.878 0.698 0.864 0.933 0.667 CA 1.130 16 residues pruned to eliminate duplicates Z: 11 15.774 1.840 0.353 0.893 1.000 0.700 CB 1.439 11 residues pruned to eliminate duplicates Z: 12 25.568 2.050 0.965 0.905 1.000 0.909 CB 1.362 12 residues pruned to eliminate duplicates Z: 10 14.663 1.802 0.941 0.905 1.000 0.667 CB 0.994 12 residues pruned to eliminate duplicates Z: 17 16.255 1.846 0.625 0.735 0.875 0.688 CB 1.254 17 residues pruned to eliminate duplicates Z: 8 2.725 1.531 0.136 0.427 0.714 0.429 CA 0.894 8 residues pruned to eliminate duplicates Z: 9 13.265 1.889 0.442 0.872 1.000 0.625 CA 1.255 9 residues pruned to eliminate duplicates Z: 9 16.258 1.997 0.486 0.917 1.000 1.000 CB 1.367 9 residues pruned to eliminate duplicates Z: 23 39.858 2.127 1.147 0.927 0.955 0.455 CB 1.366 23 residues pruned to eliminate duplicates Z: 6 2.510 1.414 0.408 0.465 0.800 0.400 C 0.730 Z: 17 22.486 1.938 0.706 0.881 1.000 0.625 CB 1.231 17 residues pruned to eliminate duplicates Z: 6 4.600 1.598 0.676 0.454 0.600 0.600 CA 1.342 Z: 47 41.155 2.087 0.886 0.739 0.935 0.543 CB 1.331 44 residues pruned to eliminate duplicates Z: 13 9.865 1.813 0.311 0.674 0.833 0.667 CB 1.224 13 residues pruned to eliminate duplicates Z: 21 30.447 2.029 0.828 0.906 1.000 0.650 CB 1.306 21 residues pruned to eliminate duplicates Z: 11 21.056 1.955 0.708 0.882 1.000 0.900 CA 1.442 11 residues pruned to eliminate duplicates Z: 8 4.399 1.945 0.274 0.347 0.714 0.429 CA 1.108 8 residues pruned to eliminate duplicates Z: 16 22.010 2.013 0.498 0.886 1.000 0.600 CB 1.359 16 residues pruned to eliminate duplicates Z: 26 32.050 2.147 0.614 0.911 0.880 0.440 CA 1.490 26 residues pruned to eliminate duplicates Z: 11 23.039 1.954 1.005 0.909 0.900 0.700 CB 1.466 11 residues pruned to eliminate duplicates Z: 9 6.399 1.655 0.359 0.540 0.875 0.500 CA 1.105 9 residues pruned to eliminate duplicates Z: 6 3.952 1.748 0.423 0.351 0.800 0.400 CA 1.044 6 residues pruned to eliminate duplicates Z: 8 4.565 1.464 0.499 0.523 0.857 0.571 CB 0.897 Z: 16 19.922 2.024 0.530 0.724 0.933 0.933 CA 1.455 16 residues pruned to eliminate duplicates Z: 12 17.057 2.120 0.484 0.871 0.909 0.727 CA 1.312 12 residues pruned to eliminate duplicates Z: 8 13.629 1.892 0.526 0.860 1.000 0.714 CB 1.313 8 residues pruned to eliminate duplicates Z: 15 17.557 1.919 0.484 0.891 1.000 0.929 CA 1.185 15 residues pruned to eliminate duplicates Z: 20 23.552 2.184 0.680 0.523 0.895 0.421 CA 1.609 20 residues pruned to eliminate duplicates Z: 8 14.182 1.896 0.757 0.832 1.000 0.857 CB 1.208 8 residues pruned to eliminate duplicates Z: 34 16.884 1.774 0.493 0.504 0.939 0.545 CB 1.177 34 residues pruned to eliminate duplicates Z: 6 4.629 1.490 -0.031 0.611 1.000 0.600 N 1.291 6 residues pruned to eliminate duplicates Z: 9 12.804 1.686 0.701 0.895 0.875 0.625 CB 1.293 9 residues pruned to eliminate duplicates Z: 8 9.731 1.526 0.523 0.833 1.000 0.571 CB 1.187 8 residues pruned to eliminate duplicates Z: 15 26.021 2.047 0.883 0.902 1.000 0.571 CB 1.286 15 residues pruned to eliminate duplicates Z: 42 26.476 2.006 0.315 0.710 1.000 0.659 CB 1.296 42 residues pruned to eliminate duplicates Z: 11 12.622 1.755 1.071 0.905 1.000 0.600 CB 0.782 10 residues pruned to eliminate duplicates Z: 17 20.088 1.945 0.459 0.852 0.938 0.750 CB 1.397 17 residues pruned to eliminate duplicates Z: 10 9.668 1.747 0.480 0.866 0.778 0.444 CB 1.174 10 residues pruned to eliminate duplicates Z: 12 11.916 1.696 0.677 0.933 1.000 1.000 CB 0.881 12 residues pruned to eliminate duplicates Z: 9 7.149 1.603 0.771 0.599 0.750 0.500 CB 1.080 9 residues pruned to eliminate duplicates Z: 7 7.794 1.771 0.429 0.888 1.000 1.000 CB 0.906 7 residues pruned to eliminate duplicates Z: 7 10.595 2.084 0.323 0.549 1.000 0.667 CB 1.496 7 residues pruned to eliminate duplicates Z: 12 11.094 1.545 0.284 0.879 1.000 1.000 CB 1.222 12 residues pruned to eliminate duplicates Z: 12 15.039 1.769 0.426 0.862 1.000 0.818 CA 1.319 12 residues pruned to eliminate duplicates Z: 10 8.260 1.685 0.425 0.914 1.000 0.667 CB 0.811 10 residues pruned to eliminate duplicates Z: 12 20.956 2.038 0.666 0.889 1.000 0.818 CB 1.340 12 residues pruned to eliminate duplicates Z: 10 7.374 1.832 0.060 0.807 0.889 0.778 CA 1.089 10 residues pruned to eliminate duplicates Z: 8 3.669 1.483 -0.099 0.566 1.000 0.571 N 0.973 Z: 10 6.059 1.934 0.584 0.250 0.667 0.667 CB 1.318 10 residues pruned to eliminate duplicates Z: 23 35.302 2.119 0.799 0.912 1.000 0.591 CB 1.398 23 residues pruned to eliminate duplicates Z: 7 7.943 1.928 0.837 0.464 0.667 0.500 CA 1.425 7 residues pruned to eliminate duplicates Z: 24 26.782 2.125 0.396 0.923 1.000 0.696 CB 1.323 24 residues pruned to eliminate duplicates Z: 18 18.057 2.039 0.308 0.654 1.000 0.706 CA 1.423 18 residues pruned to eliminate duplicates Z: 86 45.711 2.016 0.749 0.693 0.929 0.565 CB 1.268 88 residues pruned to eliminate duplicates Z: 10 7.608 1.735 0.227 0.429 0.889 0.667 N 1.442 Z: 10 4.528 1.832 0.190 0.215 0.889 0.667 CB 1.090 9 residues pruned to eliminate duplicates Z: 8 7.128 1.782 0.290 0.860 1.000 0.857 CB 0.862 8 residues pruned to eliminate duplicates Z: 7 6.892 2.119 -0.298 0.905 1.000 1.000 CA 1.346 7 residues pruned to eliminate duplicates Z: 9 7.794 1.735 0.248 0.783 0.875 0.500 CB 1.133 9 residues pruned to eliminate duplicates Z: 8 9.668 1.543 0.433 0.868 1.000 0.571 CB 1.208 8 residues pruned to eliminate duplicates Z: 6 7.445 1.432 0.669 0.837 1.000 0.600 CB 1.042 6 residues pruned to eliminate duplicates Z: 21 30.564 2.040 0.647 0.947 1.000 0.800 CB 1.406 21 residues pruned to eliminate duplicates Z: 11 9.275 1.677 0.082 0.884 1.000 0.800 CB 1.168 11 residues pruned to eliminate duplicates Z: 9 5.991 1.616 0.466 0.467 0.750 0.375 C 1.233 9 residues pruned to eliminate duplicates Z: 17 19.580 2.134 0.732 0.589 0.812 0.500 CA 1.496 17 residues pruned to eliminate duplicates Z: 6 4.146 1.712 -0.188 0.817 1.000 1.000 CB 1.012 Z: 16 19.966 1.822 0.585 0.725 1.000 0.800 CA 1.457 17 residues pruned to eliminate duplicates Z: 10 8.649 1.596 0.673 0.607 0.889 0.667 CB 1.098 11 residues pruned to eliminate duplicates Z: 25 27.457 2.124 0.799 0.576 0.875 0.542 CA 1.558 25 residues pruned to eliminate duplicates Z: 6 2.447 1.608 0.139 0.839 1.000 1.000 CB 0.446 Z: 13 12.706 1.656 0.723 0.898 0.917 0.917 CB 1.003 12 residues pruned to eliminate duplicates Z: 12 21.623 1.970 0.821 0.911 1.000 0.727 CA 1.288 12 residues pruned to eliminate duplicates Z: 7 11.521 2.166 0.409 0.768 1.000 0.833 CA 1.215 7 residues pruned to eliminate duplicates Z: 13 26.613 2.048 0.853 0.922 1.000 0.500 CB 1.424 13 residues pruned to eliminate duplicates Z: 13 11.266 1.759 0.725 0.434 1.000 0.417 CA 1.148 13 residues pruned to eliminate duplicates Z: 17 21.040 1.991 0.588 0.860 1.000 0.688 CB 1.223 17 residues pruned to eliminate duplicates Z: 8 5.477 1.728 0.318 0.404 1.000 0.429 CA 1.006 8 residues pruned to eliminate duplicates Z: 6 2.974 1.532 0.359 0.293 0.800 0.600 N 1.006 Z: 15 7.663 1.602 0.324 0.517 0.929 0.500 CB 1.022 15 residues pruned to eliminate duplicates Z: 13 23.618 1.971 0.750 0.919 1.000 0.833 CB 1.392 14 residues pruned to eliminate duplicates Z: 18 25.161 1.907 0.623 0.885 1.000 0.588 CB 1.424 18 residues pruned to eliminate duplicates Z: 17 17.777 2.082 0.567 0.489 0.875 0.500 CA 1.574 17 residues pruned to eliminate duplicates Z: 12 16.432 1.699 1.095 0.943 1.000 0.636 CB 0.964 13 residues pruned to eliminate duplicates Z: 8 6.710 1.686 -0.074 0.839 1.000 1.000 CB 1.214 8 residues pruned to eliminate duplicates Z: 11 10.507 1.775 0.108 0.895 1.000 0.900 CA 1.211 11 residues pruned to eliminate duplicates Z: 13 16.077 1.608 1.374 0.864 0.917 0.667 CB 0.972 12 residues pruned to eliminate duplicates Z: 30 17.202 1.850 0.686 0.567 0.862 0.483 CB 1.114 36 residues pruned to eliminate duplicates Z: 9 9.030 1.846 0.325 0.462 1.000 0.750 CA 1.357 11 residues pruned to eliminate duplicates Z: 9 4.622 1.603 0.129 0.877 1.000 0.750 CA 0.656 9 residues pruned to eliminate duplicates Z: 12 13.591 1.697 0.934 0.900 1.000 0.636 CB 0.892 12 residues pruned to eliminate duplicates Z: 14 6.950 1.534 0.427 0.416 0.769 0.385 CA 1.249 14 residues pruned to eliminate duplicates Z: 11 9.951 1.707 0.280 0.845 1.000 0.700 CA 1.071 11 residues pruned to eliminate duplicates Z: 8 8.891 1.709 0.202 0.824 1.000 0.857 CB 1.235 8 residues pruned to eliminate duplicates Z: 13 9.619 1.743 0.160 0.707 0.833 0.833 CA 1.366 13 residues pruned to eliminate duplicates Z: 8 10.575 1.838 0.629 0.775 0.857 0.286 CB 1.222 9 residues pruned to eliminate duplicates Z: 6 2.767 1.613 0.151 0.360 0.800 0.600 CB 0.968 6 residues pruned to eliminate duplicates Z: 11 14.501 1.720 0.692 0.775 1.000 0.300 CB 1.236 10 residues pruned to eliminate duplicates Z: 18 26.602 2.010 1.104 0.881 0.882 0.294 CB 1.252 18 residues pruned to eliminate duplicates Z: 11 11.320 1.622 0.279 0.889 1.000 0.800 CA 1.242 9 residues pruned to eliminate duplicates Z: 10 10.552 1.953 -0.048 0.896 1.000 0.778 CB 1.355 10 residues pruned to eliminate duplicates Z: 9 8.172 1.637 0.330 0.638 0.875 0.500 CB 1.333 12 residues pruned to eliminate duplicates Z: 10 18.102 1.952 0.500 0.875 1.000 0.889 CA 1.499 10 residues pruned to eliminate duplicates Z: 17 13.628 1.775 0.290 0.666 0.938 0.562 CA 1.361 17 residues pruned to eliminate duplicates Z: 12 11.254 1.780 0.696 0.710 0.818 0.727 CB 1.136 12 residues pruned to eliminate duplicates Z: 11 11.796 1.733 0.240 0.742 1.000 0.700 CB 1.398 11 residues pruned to eliminate duplicates Z: 8 14.692 1.890 0.687 0.846 1.000 0.714 CB 1.295 7 residues pruned to eliminate duplicates Z: 11 10.306 1.778 0.452 0.780 0.800 0.500 CB 1.232 11 residues pruned to eliminate duplicates Z: 7 2.354 1.507 0.461 0.337 0.667 0.333 C 0.783 Z: 8 12.112 1.932 1.050 0.864 0.857 0.429 CA 0.989 8 residues pruned to eliminate duplicates Z: 11 19.615 1.872 1.067 0.876 0.800 0.300 CA 1.456 11 residues pruned to eliminate duplicates Z: 18 12.329 1.776 0.254 0.556 0.882 0.471 CA 1.441 19 residues pruned to eliminate duplicates Z: 16 22.751 2.002 0.558 0.897 1.000 0.800 CB 1.348 16 residues pruned to eliminate duplicates Z: 9 11.831 1.490 0.714 0.881 1.000 0.625 CB 1.186 9 residues pruned to eliminate duplicates Z: 17 14.790 1.834 0.646 0.860 0.938 0.500 CB 0.961 16 residues pruned to eliminate duplicates Z: 21 26.192 2.079 0.523 0.916 1.000 0.850 CB 1.306 21 residues pruned to eliminate duplicates Z: 10 18.063 1.963 0.701 0.735 1.000 0.778 CA 1.460 10 residues pruned to eliminate duplicates Z: 9 5.181 1.671 -0.083 0.818 1.000 0.875 CA 0.907 9 residues pruned to eliminate duplicates Z: 10 7.727 1.656 0.398 0.834 1.000 0.778 CA 0.834 10 residues pruned to eliminate duplicates Z: 6 7.841 1.479 0.531 0.831 1.000 0.800 O 1.163 6 residues pruned to eliminate duplicates Z: 6 5.739 1.582 0.047 0.764 1.000 0.600 C 1.226 6 residues pruned to eliminate duplicates Z: 7 6.628 1.539 0.538 0.683 0.833 0.667 C 1.159 7 residues pruned to eliminate duplicates Z: 20 17.506 1.959 0.317 0.681 1.000 0.421 CB 1.318 15 residues pruned to eliminate duplicates Z: 14 18.646 1.956 0.724 0.880 1.000 0.846 CA 1.111 14 residues pruned to eliminate duplicates Z: 10 20.364 2.200 0.517 0.840 1.000 0.889 CB 1.517 10 residues pruned to eliminate duplicates Z: 33 17.703 1.813 0.380 0.599 0.875 0.500 CB 1.302 33 residues pruned to eliminate duplicates Z: 10 6.472 1.850 0.140 0.444 1.000 0.778 CB 1.083 10 residues pruned to eliminate duplicates Z: 16 22.391 1.985 0.439 0.908 1.000 0.933 CB 1.438 16 residues pruned to eliminate duplicates Z: 6 2.486 1.393 0.651 0.616 1.000 0.800 CB 0.433 Z: 12 9.485 1.673 0.430 0.439 1.000 0.636 CA 1.273 12 residues pruned to eliminate duplicates Z: 6 6.660 1.751 0.556 0.855 1.000 0.200 CB 0.807 6 residues pruned to eliminate duplicates Z: 17 17.829 1.999 0.512 0.863 0.875 0.625 CB 1.236 17 residues pruned to eliminate duplicates Z: 11 13.342 2.045 0.262 0.902 1.000 0.900 CB 1.166 11 residues pruned to eliminate duplicates Z: 9 8.609 1.671 0.280 0.818 0.875 0.750 CB 1.233 9 residues pruned to eliminate duplicates Z: 71 42.447 2.054 0.703 0.701 0.900 0.543 CB 1.342 71 residues pruned to eliminate duplicates Z: 13 23.712 2.031 0.645 0.901 1.000 0.833 CA 1.463 13 residues pruned to eliminate duplicates Z: 16 16.351 1.701 0.621 0.744 0.933 0.800 CA 1.318 16 residues pruned to eliminate duplicates Z: 6 4.744 1.675 0.616 0.769 0.800 0.800 CB 0.772 Z: 8 9.641 1.779 0.378 0.876 1.000 0.714 CB 1.080 8 residues pruned to eliminate duplicates Z: 11 17.587 1.816 0.585 0.836 1.000 0.500 CB 1.447 11 residues pruned to eliminate duplicates Z: 24 18.751 1.922 0.650 0.682 0.870 0.652 CB 1.200 27 residues pruned to eliminate duplicates Z: 13 7.537 1.537 0.345 0.574 0.917 0.750 CA 1.069 13 residues pruned to eliminate duplicates Z: 8 6.530 1.473 0.434 0.542 1.000 0.571 CA 1.121 8 residues pruned to eliminate duplicates Z: 11 7.741 1.674 0.135 0.841 1.000 0.800 CA 0.961 11 residues pruned to eliminate duplicates Z: 6 10.107 1.828 0.768 0.439 1.000 0.800 CA 1.490 7 residues pruned to eliminate duplicates Z: 11 11.354 2.112 0.271 0.904 1.000 1.000 CA 0.953 11 residues pruned to eliminate duplicates Z: 10 14.392 1.885 0.565 0.731 1.000 0.333 CB 1.320 11 residues pruned to eliminate duplicates Z: 11 11.406 1.713 0.572 0.812 1.000 0.700 CB 1.021 11 residues pruned to eliminate duplicates Z: 17 25.987 1.937 0.724 0.917 1.000 0.750 CB 1.373 17 residues pruned to eliminate duplicates Z: 23 9.077 1.766 0.308 0.416 0.909 0.545 CB 1.006 23 residues pruned to eliminate duplicates Z: 23 15.799 1.886 0.476 0.717 0.864 0.273 CB 1.151 22 residues pruned to eliminate duplicates Z: 10 8.817 1.504 0.350 0.763 0.889 0.667 CB 1.288 10 residues pruned to eliminate duplicates Z: 30 18.498 1.875 0.387 0.579 0.897 0.517 CB 1.365 30 residues pruned to eliminate duplicates Z: 11 15.489 1.736 0.943 0.812 1.000 0.600 CB 1.107 11 residues pruned to eliminate duplicates Z: 10 8.267 1.819 0.549 0.763 0.667 0.444 CB 1.162 10 residues pruned to eliminate duplicates Z: 7 9.293 1.492 0.753 0.846 1.000 0.833 CB 1.077 7 residues pruned to eliminate duplicates Z: 9 14.320 1.932 0.689 0.807 0.875 0.500 CB 1.357 9 residues pruned to eliminate duplicates Z: 10 9.345 1.517 0.167 0.838 1.000 0.444 CB 1.315 10 residues pruned to eliminate duplicates Z: 22 33.185 2.025 1.076 0.896 0.952 0.476 CB 1.296 22 residues pruned to eliminate duplicates Z: 7 2.472 1.692 0.216 0.242 0.833 0.667 CB 0.793 Z: 12 22.843 1.985 0.690 0.898 1.000 0.727 CA 1.469 12 residues pruned to eliminate duplicates Z: 12 21.425 2.081 0.939 0.901 0.909 0.727 CA 1.257 12 residues pruned to eliminate duplicates Z: 6 2.607 1.447 0.294 0.508 0.800 0.600 CB 0.772 Z: 15 7.952 1.628 0.498 0.488 0.929 0.714 CB 0.950 15 residues pruned to eliminate duplicates Z: 13 11.552 1.869 -0.012 0.890 1.000 0.833 CA 1.299 12 residues pruned to eliminate duplicates Z: 7 4.970 1.854 0.186 0.423 1.000 0.833 CB 1.000 7 residues pruned to eliminate duplicates Z: 14 12.255 1.846 0.560 0.688 0.923 0.615 CB 1.076 14 residues pruned to eliminate duplicates Z: 10 15.724 1.837 0.838 0.696 0.889 0.556 N 1.460 10 residues pruned to eliminate duplicates Z: 7 4.054 1.663 0.473 0.460 0.833 0.667 CB 0.845 7 residues pruned to eliminate duplicates Z: 7 2.374 1.448 0.368 0.249 0.833 0.667 CB 0.784 Z: 14 5.439 1.587 0.454 0.400 0.923 0.692 CB 0.787 14 residues pruned to eliminate duplicates Z: 11 15.725 1.822 0.346 0.871 1.000 0.800 CB 1.479 11 residues pruned to eliminate duplicates Z: 7 6.007 1.481 0.153 0.733 1.000 0.667 CB 1.164 7 residues pruned to eliminate duplicates Z: 13 6.082 1.483 0.552 0.669 0.750 0.333 CB 0.870 13 residues pruned to eliminate duplicates Z: 7 2.760 1.680 0.161 0.248 0.667 0.333 CB 1.159 Using tripeptides from previous cycle as seeds Z: 6 7.617 1.877 0.378 0.454 1.000 0.600 CA 1.382 6 residues pruned to eliminate duplicates Z: 17 18.366 2.011 0.640 0.565 0.938 0.438 CB 1.395 18 residues pruned to eliminate duplicates Z: 14 13.323 1.987 0.671 0.555 0.846 0.385 CB 1.247 14 residues pruned to eliminate duplicates Z: 18 17.941 1.942 0.667 0.570 0.941 0.471 CB 1.335 18 residues pruned to eliminate duplicates Z: 6 5.166 2.058 0.449 0.524 0.800 0.600 CB 0.946 6 residues pruned to eliminate duplicates Z: 19 14.023 1.891 0.554 0.514 0.833 0.556 CB 1.331 19 residues pruned to eliminate duplicates Z: 18 18.192 1.950 0.661 0.578 0.941 0.647 CB 1.343 18 residues pruned to eliminate duplicates Z: 11 24.461 2.008 1.075 0.800 1.000 0.600 CB 1.428 11 residues pruned to eliminate duplicates Z: 11 17.351 1.960 0.955 0.783 0.900 0.800 CB 1.240 11 residues pruned to eliminate duplicates Z: 18 20.310 1.953 0.821 0.591 1.000 0.588 CB 1.269 18 residues pruned to eliminate duplicates Z: 18 16.042 1.956 0.540 0.515 0.941 0.412 CB 1.353 18 residues pruned to eliminate duplicates Z: 11 23.982 2.054 0.956 0.790 1.000 0.400 CA 1.463 11 residues pruned to eliminate duplicates Z: 18 17.868 1.925 0.710 0.563 0.941 0.471 CA 1.317 18 residues pruned to eliminate duplicates Z: 9 8.758 1.649 0.395 0.631 0.875 0.375 CB 1.360 7 residues pruned to eliminate duplicates Z: 12 9.272 1.443 0.618 0.719 1.000 0.545 CB 0.982 12 residues pruned to eliminate duplicates Z: 11 8.917 1.550 0.408 0.695 0.800 0.300 CB 1.352 11 residues pruned to eliminate duplicates Z: 9 7.334 1.588 0.298 0.596 0.875 0.375 CB 1.312 9 residues pruned to eliminate duplicates Z: 12 10.776 1.576 0.373 0.709 1.000 0.545 CB 1.241 12 residues pruned to eliminate duplicates Z: 12 11.454 1.572 0.509 0.693 1.000 0.545 CB 1.220 12 residues pruned to eliminate duplicates Z: 11 13.063 1.652 0.523 0.695 1.000 0.600 CB 1.374 11 residues pruned to eliminate duplicates Z: 12 10.251 1.564 0.306 0.693 1.000 0.364 CB 1.269 12 residues pruned to eliminate duplicates Z: 13 10.000 1.610 0.405 0.606 1.000 0.333 CB 1.154 13 residues pruned to eliminate duplicates Z: 14 9.544 1.652 0.335 0.461 1.000 0.923 CA 1.249 14 residues pruned to eliminate duplicates Z: 14 8.425 1.677 0.407 0.387 1.000 0.769 CB 1.116 14 residues pruned to eliminate duplicates Z: 14 8.249 1.679 0.354 0.395 1.000 0.538 CB 1.125 14 residues pruned to eliminate duplicates Z: 13 10.575 1.718 0.588 0.436 0.917 0.667 CB 1.305 13 residues pruned to eliminate duplicates Z: 13 10.058 1.754 0.427 0.426 1.000 0.583 CB 1.252 13 residues pruned to eliminate duplicates Z: 8 10.380 1.717 0.783 0.559 1.000 0.571 CB 1.210 9 residues pruned to eliminate duplicates Z: 7 8.285 1.791 0.398 0.549 1.000 0.667 CB 1.288 7 residues pruned to eliminate duplicates Z: 13 9.416 1.759 0.525 0.437 0.917 0.583 CB 1.179 13 residues pruned to eliminate duplicates Z: 12 9.369 1.823 0.538 0.519 0.909 0.727 CB 1.087 12 residues pruned to eliminate duplicates Z: 7 5.993 1.428 0.426 0.662 0.833 0.500 O 1.241 7 residues pruned to eliminate duplicates Z: 10 5.086 1.912 0.218 0.307 0.889 0.556 CB 1.015 10 residues pruned to eliminate duplicates Z: 10 4.944 1.926 0.193 0.220 0.889 0.444 CB 1.122 10 residues pruned to eliminate duplicates Z: 10 5.510 1.964 0.304 0.209 0.889 0.556 CB 1.137 10 residues pruned to eliminate duplicates Z: 7 5.381 1.547 0.178 0.485 1.000 0.333 N 1.225 6 residues pruned to eliminate duplicates Z: 10 12.328 1.992 0.395 0.580 0.889 0.222 CB 1.541 10 residues pruned to eliminate duplicates Z: 19 22.116 2.114 0.821 0.512 0.889 0.500 CB 1.506 19 residues pruned to eliminate duplicates Z: 8 19.426 1.965 0.782 0.851 1.000 0.714 CA 1.553 8 residues pruned to eliminate duplicates Z: 26 23.334 2.082 0.830 0.497 0.840 0.360 CB 1.463 26 residues pruned to eliminate duplicates Z: 26 23.637 2.075 0.723 0.532 0.840 0.480 CA 1.525 26 residues pruned to eliminate duplicates Z: 26 20.508 2.072 0.714 0.523 0.760 0.480 CB 1.486 26 residues pruned to eliminate duplicates Z: 29 21.287 2.023 0.665 0.456 0.857 0.464 CB 1.459 27 residues pruned to eliminate duplicates Z: 9 10.067 2.093 0.540 0.602 1.000 0.625 CA 1.002 9 residues pruned to eliminate duplicates Z: 26 18.685 2.057 0.571 0.475 0.840 0.400 CA 1.412 26 residues pruned to eliminate duplicates Z: 20 19.392 2.089 0.671 0.480 0.895 0.421 CA 1.454 20 residues pruned to eliminate duplicates Z: 27 22.913 2.012 0.762 0.455 0.923 0.462 CB 1.438 27 residues pruned to eliminate duplicates Z: 17 17.977 2.163 0.531 0.528 0.875 0.375 CA 1.508 17 residues pruned to eliminate duplicates Z: 26 23.615 2.095 0.724 0.511 0.880 0.400 CB 1.469 26 residues pruned to eliminate duplicates Z: 19 16.431 2.014 0.604 0.507 0.944 0.556 CA 1.260 19 residues pruned to eliminate duplicates Z: 27 19.540 2.040 0.616 0.459 0.846 0.462 CB 1.433 29 residues pruned to eliminate duplicates Z: 15 18.387 2.020 0.471 0.757 0.929 0.786 CB 1.417 15 residues pruned to eliminate duplicates Z: 46 28.054 2.031 0.576 0.658 0.911 0.667 CB 1.239 46 residues pruned to eliminate duplicates Z: 32 16.753 1.888 0.465 0.510 0.903 0.677 CB 1.192 32 residues pruned to eliminate duplicates Z: 36 30.290 2.027 0.658 0.706 0.943 0.629 CB 1.339 36 residues pruned to eliminate duplicates Z: 35 30.244 2.049 0.643 0.725 0.912 0.647 CB 1.379 35 residues pruned to eliminate duplicates Z: 31 21.006 1.870 0.669 0.596 0.900 0.533 CB 1.245 31 residues pruned to eliminate duplicates Z: 27 23.415 1.995 0.701 0.661 0.846 0.615 CB 1.377 27 residues pruned to eliminate duplicates Z: 28 16.480 1.809 0.636 0.660 0.852 0.407 CB 1.085 28 residues pruned to eliminate duplicates Z: 69 31.708 1.973 0.554 0.619 0.912 0.574 CB 1.229 69 residues pruned to eliminate duplicates Z: 46 30.881 2.029 0.597 0.684 0.911 0.556 CB 1.317 46 residues pruned to eliminate duplicates Z: 35 33.393 2.043 0.785 0.731 0.941 0.647 CB 1.355 35 residues pruned to eliminate duplicates Z: 95 49.939 2.020 0.771 0.694 0.926 0.564 CB 1.303 101 residues pruned to eliminate duplicates Z: 14 20.771 2.000 1.013 0.820 0.923 0.846 CB 1.174 14 residues pruned to eliminate duplicates Z: 51 26.606 1.942 0.557 0.617 0.940 0.600 CB 1.185 51 residues pruned to eliminate duplicates Z: 26 14.356 1.688 0.384 0.647 0.880 0.480 CB 1.218 40 residues pruned to eliminate duplicates Z: 25 25.776 2.005 0.785 0.650 0.958 0.625 CB 1.335 25 residues pruned to eliminate duplicates Z: 26 23.738 1.962 0.775 0.709 0.920 0.520 CB 1.226 26 residues pruned to eliminate duplicates Z: 43 27.301 1.950 0.624 0.686 0.929 0.571 CB 1.208 43 residues pruned to eliminate duplicates Z: 64 36.749 1.986 0.759 0.635 0.921 0.476 CB 1.268 64 residues pruned to eliminate duplicates Z: 27 24.537 1.937 0.878 0.662 0.923 0.615 CB 1.234 27 residues pruned to eliminate duplicates Z: 69 41.876 2.004 0.854 0.688 0.941 0.515 CB 1.222 69 residues pruned to eliminate duplicates Z: 13 8.185 1.712 0.601 0.431 0.917 0.667 CB 1.011 13 residues pruned to eliminate duplicates Z: 29 14.802 1.826 0.527 0.424 0.893 0.607 CB 1.216 29 residues pruned to eliminate duplicates Z: 44 27.821 1.918 0.656 0.636 0.930 0.651 CB 1.264 47 residues pruned to eliminate duplicates Z: 14 14.779 1.883 0.187 0.785 1.000 0.769 CB 1.427 14 residues pruned to eliminate duplicates Z: 36 15.110 1.805 0.419 0.474 0.857 0.429 CB 1.195 36 residues pruned to eliminate duplicates Z: 14 17.124 1.869 0.462 0.859 1.000 0.769 CB 1.279 14 residues pruned to eliminate duplicates Z: 18 19.324 1.975 0.519 0.717 0.941 0.588 CB 1.364 18 residues pruned to eliminate duplicates Z: 21 18.567 1.946 0.544 0.638 0.950 0.750 CB 1.278 22 residues pruned to eliminate duplicates Z: 17 22.133 1.940 0.469 0.915 1.000 0.750 CB 1.373 17 residues pruned to eliminate duplicates Z: 18 19.678 1.976 0.506 0.741 0.941 0.529 CB 1.373 18 residues pruned to eliminate duplicates Z: 19 22.612 1.993 0.624 0.711 0.944 0.333 CB 1.439 17 residues pruned to eliminate duplicates Z: 17 25.827 1.931 0.678 0.925 1.000 0.812 CB 1.398 17 residues pruned to eliminate duplicates Z: 18 24.431 1.911 0.548 0.897 1.000 0.706 CB 1.434 18 residues pruned to eliminate duplicates Z: 19 21.248 2.016 0.645 0.732 0.944 0.611 CB 1.299 19 residues pruned to eliminate duplicates Z: 19 20.584 1.960 0.652 0.725 0.944 0.500 CB 1.295 19 residues pruned to eliminate duplicates Z: 45 30.637 1.970 0.670 0.643 0.955 0.455 CB 1.287 45 residues pruned to eliminate duplicates Z: 12 22.776 2.083 0.523 0.915 1.000 1.000 CA 1.530 Z: 13 21.589 1.986 0.533 0.919 1.000 1.000 CB 1.443 13 residues pruned to eliminate duplicates Z: 14 18.795 1.943 0.561 0.891 1.000 0.923 CB 1.236 14 residues pruned to eliminate duplicates Z: 13 20.198 1.960 0.602 0.834 0.917 0.917 CB 1.519 13 residues pruned to eliminate duplicates Z: 13 18.414 1.944 0.526 0.898 0.917 0.917 CA 1.398 13 residues pruned to eliminate duplicates Z: 12 23.969 2.084 0.643 0.910 1.000 0.909 CB 1.497 12 residues pruned to eliminate duplicates Z: 10 23.011 2.199 0.625 0.912 1.000 0.889 CB 1.521 10 residues pruned to eliminate duplicates Z: 11 23.242 2.079 0.716 0.808 1.000 0.900 CB 1.575 11 residues pruned to eliminate duplicates Z: 11 22.161 2.043 0.682 0.855 1.000 0.700 CA 1.506 11 residues pruned to eliminate duplicates Z: 13 15.680 1.871 0.576 0.714 1.000 0.750 CA 1.265 13 residues pruned to eliminate duplicates Z: 37 27.399 1.916 0.505 0.581 0.972 0.778 CA 1.507 37 residues pruned to eliminate duplicates Z: 7 7.794 1.491 1.313 0.392 0.833 0.667 CA 1.242 7 residues pruned to eliminate duplicates Z: 27 16.849 1.791 0.409 0.471 0.962 0.577 CB 1.403 27 residues pruned to eliminate duplicates Z: 19 15.741 1.789 0.465 0.556 0.944 0.722 CB 1.420 19 residues pruned to eliminate duplicates Z: 28 14.127 1.752 0.353 0.479 0.889 0.630 CB 1.318 28 residues pruned to eliminate duplicates Z: 18 18.666 1.844 0.549 0.564 1.000 0.706 CA 1.490 18 residues pruned to eliminate duplicates Z: 30 22.963 1.874 0.480 0.634 0.966 0.724 CA 1.404 30 residues pruned to eliminate duplicates Z: 27 15.856 1.785 0.362 0.490 0.962 0.731 CB 1.343 27 residues pruned to eliminate duplicates Z: 27 18.620 1.803 0.435 0.527 0.962 0.731 CA 1.431 27 residues pruned to eliminate duplicates Z: 27 17.417 1.807 0.387 0.499 0.962 0.654 CB 1.419 27 residues pruned to eliminate duplicates Z: 18 17.320 1.800 0.580 0.590 1.000 0.706 CA 1.355 18 residues pruned to eliminate duplicates Z: 38 22.256 1.869 0.430 0.539 0.892 0.784 CA 1.477 38 residues pruned to eliminate duplicates Z: 18 17.490 1.839 0.488 0.593 1.000 0.588 CA 1.418 18 residues pruned to eliminate duplicates Z: 26 18.178 1.850 0.369 0.498 1.000 0.680 CA 1.438 26 residues pruned to eliminate duplicates Z: 10 6.396 1.754 0.222 0.312 0.889 0.333 N 1.378 10 residues pruned to eliminate duplicates Z: 27 18.456 1.801 0.477 0.467 1.000 0.731 CA 1.407 27 residues pruned to eliminate duplicates Z: 12 5.584 1.695 0.016 0.295 0.909 0.455 CA 1.353 12 residues pruned to eliminate duplicates Z: 10 5.331 1.641 0.016 0.296 1.000 0.444 CA 1.338 10 residues pruned to eliminate duplicates Z: 9 6.259 1.815 -0.024 0.376 1.000 0.375 N 1.425 9 residues pruned to eliminate duplicates Z: 27 13.851 1.793 0.237 0.413 0.923 0.577 CA 1.453 27 residues pruned to eliminate duplicates Z: 12 5.926 1.669 0.206 0.296 0.818 0.455 CA 1.363 12 residues pruned to eliminate duplicates Z: 10 6.416 1.895 0.336 0.424 0.889 0.556 CB 1.029 10 residues pruned to eliminate duplicates Z: 6 2.459 1.647 -0.093 0.350 1.000 0.200 CA 0.867 6 residues pruned to eliminate duplicates Z: 20 9.416 1.783 0.585 0.249 0.789 0.368 CB 1.293 36 residues pruned to eliminate duplicates Z: 10 8.224 2.056 0.528 0.270 0.889 0.667 CB 1.275 Z: 7 2.710 1.388 0.601 0.436 0.833 0.667 CB 0.638 6 residues pruned to eliminate duplicates Z: 7 2.996 1.511 0.386 0.270 1.000 0.167 CA 0.759 Z: 6 3.113 1.559 0.342 0.431 1.000 0.600 CB 0.715 6 residues pruned to eliminate duplicates Z: 12 12.482 1.766 0.291 0.791 1.000 0.727 CB 1.278 12 residues pruned to eliminate duplicates Z: 13 14.195 1.852 0.502 0.643 1.000 0.833 CB 1.289 15 residues pruned to eliminate duplicates Z: 10 10.177 1.772 0.162 0.894 1.000 0.889 CA 1.181 10 residues pruned to eliminate duplicates Z: 12 13.738 1.839 0.381 0.703 1.000 0.818 CA 1.356 12 residues pruned to eliminate duplicates Z: 12 15.053 1.879 0.435 0.724 1.000 0.727 CA 1.375 12 residues pruned to eliminate duplicates Z: 12 13.614 1.871 0.409 0.755 0.909 0.818 CA 1.365 12 residues pruned to eliminate duplicates Z: 11 17.493 1.928 0.501 0.793 1.000 0.900 CB 1.478 11 residues pruned to eliminate duplicates Z: 12 16.294 1.883 0.495 0.720 1.000 0.818 CA 1.430 12 residues pruned to eliminate duplicates Z: 18 10.898 1.762 0.532 0.578 0.882 0.706 CB 1.029 18 residues pruned to eliminate duplicates Z: 25 14.862 1.849 0.422 0.531 0.958 0.583 CB 1.167 27 residues pruned to eliminate duplicates Z: 17 23.314 2.079 0.610 0.759 1.000 0.562 CB 1.383 15 residues pruned to eliminate duplicates Z: 15 19.482 2.087 0.501 0.872 0.929 0.571 CB 1.305 15 residues pruned to eliminate duplicates Z: 32 21.274 1.995 0.544 0.621 0.903 0.613 CB 1.224 32 residues pruned to eliminate duplicates Z: 36 18.496 1.907 0.470 0.534 0.943 0.514 CB 1.143 36 residues pruned to eliminate duplicates Z: 36 25.769 1.984 0.684 0.672 0.914 0.600 CB 1.216 36 residues pruned to eliminate duplicates Z: 23 18.170 1.931 0.824 0.575 0.818 0.545 CB 1.250 26 residues pruned to eliminate duplicates Z: 15 22.180 1.983 0.754 0.830 1.000 0.571 CA 1.281 15 residues pruned to eliminate duplicates Z: 43 25.286 1.941 0.584 0.596 0.929 0.500 CB 1.247 43 residues pruned to eliminate duplicates Z: 23 20.772 1.905 0.680 0.656 0.955 0.364 CB 1.253 23 residues pruned to eliminate duplicates Z: 37 21.743 1.892 0.494 0.611 0.917 0.611 CB 1.260 37 residues pruned to eliminate duplicates Z: 17 20.511 2.104 0.883 0.739 0.938 0.250 CB 1.114 17 residues pruned to eliminate duplicates Z: 44 24.455 1.910 0.535 0.595 0.977 0.605 CB 1.190 44 residues pruned to eliminate duplicates Z: 30 20.491 2.005 0.538 0.578 0.897 0.483 CB 1.276 30 residues pruned to eliminate duplicates Z: 43 24.664 1.945 0.535 0.602 0.929 0.452 CB 1.245 43 residues pruned to eliminate duplicates Z: 38 21.451 1.936 0.597 0.573 0.892 0.622 CB 1.192 38 residues pruned to eliminate duplicates Z: 37 21.487 1.933 0.567 0.581 0.889 0.389 CB 1.231 37 residues pruned to eliminate duplicates Z: 37 24.636 1.913 0.625 0.579 0.944 0.500 CB 1.295 37 residues pruned to eliminate duplicates Z: 6 4.712 1.633 0.663 0.292 0.800 0.600 CA 1.224 6 residues pruned to eliminate duplicates Z: 38 23.039 1.913 0.709 0.569 0.892 0.486 CB 1.216 38 residues pruned to eliminate duplicates Z: 28 24.849 2.040 0.854 0.633 0.889 0.556 CB 1.255 28 residues pruned to eliminate duplicates Z: 35 20.995 1.851 0.561 0.544 0.912 0.500 CB 1.309 35 residues pruned to eliminate duplicates Z: 35 23.815 1.924 0.769 0.596 0.941 0.647 CB 1.163 35 residues pruned to eliminate duplicates Z: 29 20.255 1.903 0.754 0.593 0.893 0.500 CB 1.175 29 residues pruned to eliminate duplicates Z: 35 23.512 1.977 0.595 0.627 0.971 0.618 CB 1.169 35 residues pruned to eliminate duplicates Z: 32 27.512 1.925 0.650 0.711 1.000 0.645 CB 1.285 32 residues pruned to eliminate duplicates Z: 43 26.527 1.961 0.607 0.594 0.929 0.429 CB 1.279 43 residues pruned to eliminate duplicates Z: 36 25.718 1.987 0.508 0.659 1.000 0.571 CB 1.252 36 residues pruned to eliminate duplicates Z: 44 23.937 1.950 0.514 0.587 0.930 0.465 CB 1.223 44 residues pruned to eliminate duplicates Z: 35 25.778 1.977 0.639 0.677 0.941 0.559 CB 1.231 35 residues pruned to eliminate duplicates Z: 37 21.602 1.910 0.478 0.600 0.889 0.500 CB 1.304 37 residues pruned to eliminate duplicates Z: 46 24.547 1.941 0.598 0.575 0.911 0.511 CB 1.205 46 residues pruned to eliminate duplicates Z: 44 25.402 1.942 0.652 0.582 0.907 0.419 CB 1.231 44 residues pruned to eliminate duplicates Z: 10 7.170 1.722 0.349 0.419 1.000 0.444 CB 1.119 9 residues pruned to eliminate duplicates Z: 7 5.761 1.512 0.528 0.420 1.000 0.667 CB 1.107 7 residues pruned to eliminate duplicates Z: 43 25.181 1.961 0.584 0.584 0.905 0.476 CB 1.275 43 residues pruned to eliminate duplicates Z: 9 6.938 1.806 0.463 0.471 0.750 0.375 CB 1.276 9 residues pruned to eliminate duplicates Z: 45 21.418 1.865 0.571 0.595 0.818 0.477 CB 1.231 46 residues pruned to eliminate duplicates Z: 6 6.990 1.771 0.482 0.537 0.800 0.600 CA 1.436 6 residues pruned to eliminate duplicates Z: 10 23.385 2.201 0.975 0.685 1.000 0.333 CA 1.513 10 residues pruned to eliminate duplicates Z: 26 17.975 2.071 0.665 0.470 0.720 0.400 CA 1.492 26 residues pruned to eliminate duplicates Z: 19 21.959 2.240 0.532 0.520 0.944 0.389 CA 1.566 19 residues pruned to eliminate duplicates Z: 21 19.028 2.107 0.594 0.525 0.800 0.450 CA 1.546 21 residues pruned to eliminate duplicates Z: 27 17.803 2.070 0.468 0.469 0.769 0.346 CA 1.542 27 residues pruned to eliminate duplicates Z: 31 18.295 1.985 0.473 0.372 0.833 0.400 CA 1.572 31 residues pruned to eliminate duplicates Z: 31 23.278 2.067 0.569 0.553 0.833 0.400 CA 1.493 31 residues pruned to eliminate duplicates Z: 36 25.829 2.049 0.537 0.558 0.857 0.486 CB 1.529 36 residues pruned to eliminate duplicates Z: 18 20.904 2.246 0.517 0.506 0.941 0.412 CA 1.572 18 residues pruned to eliminate duplicates Z: 21 20.066 2.146 0.527 0.444 0.950 0.450 CA 1.526 21 residues pruned to eliminate duplicates Z: 25 23.973 2.108 0.638 0.518 0.875 0.625 CA 1.592 25 residues pruned to eliminate duplicates Z: 33 25.676 1.992 0.649 0.555 0.906 0.219 CB 1.446 33 residues pruned to eliminate duplicates Z: 19 24.341 2.267 0.696 0.522 0.944 0.389 CA 1.546 19 residues pruned to eliminate duplicates Z: 41 19.523 1.947 0.352 0.426 0.875 0.550 CB 1.447 41 residues pruned to eliminate duplicates Z: 30 21.648 2.027 0.513 0.607 0.828 0.448 CA 1.430 30 residues pruned to eliminate duplicates Z: 31 20.124 2.002 0.555 0.434 0.867 0.600 CA 1.458 31 residues pruned to eliminate duplicates Z: 31 25.173 2.087 0.675 0.564 0.800 0.467 CA 1.546 31 residues pruned to eliminate duplicates Z: 31 27.159 2.077 0.693 0.568 0.867 0.500 CA 1.524 31 residues pruned to eliminate duplicates Z: 53 35.287 2.017 0.560 0.676 0.942 0.654 CB 1.403 53 residues pruned to eliminate duplicates Z: 46 33.789 2.076 0.545 0.701 0.933 0.733 CB 1.401 46 residues pruned to eliminate duplicates Z: 46 34.813 2.098 0.544 0.740 0.911 0.556 CB 1.418 46 residues pruned to eliminate duplicates Z: 35 18.957 1.953 0.486 0.573 0.882 0.559 CB 1.184 35 residues pruned to eliminate duplicates Z: 54 40.715 2.022 0.694 0.731 0.925 0.679 CB 1.435 55 residues pruned to eliminate duplicates Z: 10 13.519 1.943 0.687 0.853 0.889 0.667 CB 1.143 10 residues pruned to eliminate duplicates Z: 49 32.065 2.037 0.542 0.688 0.958 0.562 CB 1.294 49 residues pruned to eliminate duplicates Z: 47 36.225 2.082 0.463 0.718 1.000 0.587 CB 1.439 47 residues pruned to eliminate duplicates Z: 56 43.815 2.033 0.717 0.735 0.945 0.527 CB 1.450 56 residues pruned to eliminate duplicates Z: 11 12.170 1.807 0.560 0.735 1.000 0.800 CB 1.106 11 residues pruned to eliminate duplicates Z: 45 31.022 2.034 0.503 0.651 0.977 0.659 CB 1.360 45 residues pruned to eliminate duplicates Z: 57 40.775 2.025 0.611 0.686 0.964 0.643 CA 1.460 57 residues pruned to eliminate duplicates Z: 57 40.687 2.010 0.679 0.725 0.929 0.625 CA 1.417 57 residues pruned to eliminate duplicates Z: 41 34.150 2.077 0.620 0.676 0.925 0.550 CB 1.475 41 residues pruned to eliminate duplicates Z: 47 36.693 2.080 0.522 0.725 1.000 0.609 CA 1.395 47 residues pruned to eliminate duplicates Z: 19 20.425 1.967 0.581 0.619 0.944 0.722 CB 1.465 19 residues pruned to eliminate duplicates Z: 51 36.305 1.996 0.573 0.701 0.980 0.640 CB 1.389 51 residues pruned to eliminate duplicates Z: 36 30.441 2.044 0.608 0.638 1.000 0.686 CB 1.375 36 residues pruned to eliminate duplicates Z: 47 37.453 2.086 0.508 0.713 0.978 0.543 CB 1.479 47 residues pruned to eliminate duplicates Z: 52 32.764 1.998 0.544 0.668 0.922 0.647 CB 1.382 52 residues pruned to eliminate duplicates Z: 66 42.616 2.084 0.560 0.633 0.969 0.569 CA 1.481 66 residues pruned to eliminate duplicates Z: 46 34.104 2.081 0.416 0.713 0.978 0.689 CA 1.454 46 residues pruned to eliminate duplicates Z: 32 20.299 1.926 0.398 0.526 0.968 0.613 CB 1.364 32 residues pruned to eliminate duplicates Z: 47 35.089 2.064 0.539 0.688 0.957 0.652 CA 1.434 47 residues pruned to eliminate duplicates Z: 48 37.017 2.042 0.579 0.697 1.000 0.596 CA 1.399 48 residues pruned to eliminate duplicates Z: 46 41.460 2.112 0.593 0.732 1.000 0.689 CB 1.491 46 residues pruned to eliminate duplicates Z: 34 29.223 2.017 0.516 0.746 0.970 0.515 CA 1.377 34 residues pruned to eliminate duplicates Z: 40 29.945 2.104 0.421 0.670 0.949 0.615 CA 1.445 40 residues pruned to eliminate duplicates Z: 33 29.335 2.068 0.501 0.759 1.000 0.656 CA 1.326 33 residues pruned to eliminate duplicates Z: 46 38.412 2.113 0.568 0.712 0.956 0.667 CB 1.492 46 residues pruned to eliminate duplicates Z: 47 36.985 2.103 0.471 0.719 0.978 0.652 CB 1.478 47 residues pruned to eliminate duplicates Z: 31 32.146 2.128 0.517 0.782 0.967 0.533 CA 1.467 31 residues pruned to eliminate duplicates Z: 40 32.373 2.084 0.561 0.680 0.949 0.538 CA 1.424 40 residues pruned to eliminate duplicates Z: 58 35.600 1.991 0.509 0.667 0.930 0.596 CB 1.446 58 residues pruned to eliminate duplicates Z: 40 34.164 2.083 0.558 0.687 0.949 0.615 CA 1.497 40 residues pruned to eliminate duplicates Z: 30 35.807 2.172 0.534 0.800 1.000 0.517 CA 1.536 30 residues pruned to eliminate duplicates Z: 34 29.613 2.121 0.490 0.744 0.909 0.636 CA 1.442 34 residues pruned to eliminate duplicates Z: 32 28.852 2.064 0.421 0.790 0.968 0.548 CA 1.415 32 residues pruned to eliminate duplicates Z: 40 35.414 2.067 0.626 0.731 0.949 0.590 CA 1.445 40 residues pruned to eliminate duplicates Z: 32 34.433 2.154 0.512 0.784 0.968 0.581 CA 1.528 32 residues pruned to eliminate duplicates Z: 30 33.894 2.184 0.563 0.812 0.966 0.483 CA 1.456 30 residues pruned to eliminate duplicates Z: 48 36.102 2.031 0.545 0.709 0.979 0.574 CA 1.419 48 residues pruned to eliminate duplicates Z: 48 36.551 2.057 0.637 0.695 0.957 0.660 CB 1.383 48 residues pruned to eliminate duplicates Z: 40 38.414 2.043 0.591 0.795 0.974 0.564 CA 1.500 40 residues pruned to eliminate duplicates Z: 26 34.648 2.167 0.640 0.935 0.920 0.600 CA 1.477 26 residues pruned to eliminate duplicates Z: 41 43.812 2.084 0.818 0.755 0.975 0.550 CA 1.495 41 residues pruned to eliminate duplicates Z: 16 18.936 2.139 0.329 0.847 0.933 0.533 CA 1.367 16 residues pruned to eliminate duplicates Z: 56 45.003 2.051 0.754 0.702 0.945 0.491 CB 1.484 56 residues pruned to eliminate duplicates Z: 10 17.680 1.751 1.116 0.766 1.000 0.556 CA 1.257 10 residues pruned to eliminate duplicates Z: 18 16.462 1.691 0.806 0.628 0.941 0.647 CB 1.231 18 residues pruned to eliminate duplicates Z: 16 16.570 1.708 0.962 0.664 0.933 0.400 CB 1.175 16 residues pruned to eliminate duplicates Z: 18 14.068 1.721 0.851 0.647 0.824 0.529 CB 1.134 18 residues pruned to eliminate duplicates Z: 15 19.634 1.754 0.836 0.712 1.000 0.571 CB 1.345 15 residues pruned to eliminate duplicates Z: 14 24.412 1.838 1.040 0.726 1.000 0.538 CB 1.472 14 residues pruned to eliminate duplicates Z: 10 26.343 1.966 1.114 0.871 1.000 0.444 CA 1.541 10 residues pruned to eliminate duplicates Z: 19 19.748 1.712 0.838 0.655 1.000 0.833 CB 1.281 19 residues pruned to eliminate duplicates Z: 7 4.331 1.585 0.546 0.415 1.000 0.667 CA 0.789 6 residues pruned to eliminate duplicates Z: 13 8.644 1.805 0.655 0.679 0.667 0.417 CA 1.063 13 residues pruned to eliminate duplicates Z: 12 15.163 1.789 0.557 0.831 1.000 0.455 CA 1.233 12 residues pruned to eliminate duplicates Z: 19 15.922 1.789 0.667 0.570 1.000 0.500 CA 1.176 19 residues pruned to eliminate duplicates Z: 10 10.481 1.879 0.683 0.711 0.778 0.667 CB 1.173 10 residues pruned to eliminate duplicates Z: 13 12.432 1.787 0.523 0.616 1.000 0.583 CA 1.182 13 residues pruned to eliminate duplicates Z: 20 10.556 1.632 0.454 0.513 0.947 0.579 CB 1.063 20 residues pruned to eliminate duplicates Z: 13 11.456 1.781 0.428 0.576 0.917 0.583 CB 1.318 13 residues pruned to eliminate duplicates Z: 11 12.814 1.810 0.636 0.593 1.000 0.600 CB 1.252 11 residues pruned to eliminate duplicates Z: 23 11.855 1.667 0.470 0.485 0.909 0.455 CB 1.152 23 residues pruned to eliminate duplicates Z: 11 14.508 1.908 0.544 0.687 1.000 0.400 CB 1.312 11 residues pruned to eliminate duplicates Z: 10 12.717 1.906 0.428 0.781 1.000 0.556 CB 1.215 10 residues pruned to eliminate duplicates Z: 40 24.795 2.019 0.317 0.686 0.949 0.513 CB 1.328 40 residues pruned to eliminate duplicates Z: 43 28.850 2.007 0.469 0.737 0.929 0.643 CB 1.314 43 residues pruned to eliminate duplicates Z: 18 13.063 1.789 0.375 0.582 0.941 0.647 CB 1.264 18 residues pruned to eliminate duplicates Z: 43 30.556 2.003 0.506 0.741 0.952 0.619 CB 1.322 43 residues pruned to eliminate duplicates Z: 20 12.376 1.788 0.308 0.529 0.947 0.474 CB 1.245 20 residues pruned to eliminate duplicates Z: 42 28.475 2.023 0.436 0.690 0.927 0.561 CB 1.388 42 residues pruned to eliminate duplicates Z: 18 12.208 1.818 0.241 0.551 0.941 0.647 CB 1.327 18 residues pruned to eliminate duplicates Z: 43 27.232 1.993 0.348 0.683 1.000 0.714 CB 1.323 43 residues pruned to eliminate duplicates Z: 17 8.672 1.743 0.169 0.487 0.875 0.625 CB 1.231 17 residues pruned to eliminate duplicates Z: 20 11.516 1.769 0.176 0.518 1.000 0.579 CB 1.247 20 residues pruned to eliminate duplicates Z: 16 11.833 1.801 0.110 0.546 1.000 0.600 CB 1.462 16 residues pruned to eliminate duplicates Z: 46 26.053 1.966 0.395 0.683 0.911 0.444 CB 1.313 46 residues pruned to eliminate duplicates Z: 41 28.881 2.014 0.441 0.712 0.950 0.525 CB 1.367 41 residues pruned to eliminate duplicates Z: 34 25.388 2.049 0.390 0.699 0.939 0.455 CB 1.378 34 residues pruned to eliminate duplicates Z: 40 27.028 2.023 0.427 0.690 0.923 0.513 CB 1.364 40 residues pruned to eliminate duplicates Z: 43 26.975 1.999 0.374 0.673 0.952 0.548 CB 1.357 43 residues pruned to eliminate duplicates Z: 43 26.144 2.000 0.308 0.698 0.929 0.643 CB 1.386 43 residues pruned to eliminate duplicates Z: 34 25.220 2.035 0.380 0.667 0.939 0.667 CB 1.427 34 residues pruned to eliminate duplicates Z: 34 29.123 2.028 0.561 0.690 1.000 0.606 CB 1.346 34 residues pruned to eliminate duplicates Z: 46 25.813 1.933 0.382 0.642 0.956 0.667 CB 1.320 46 residues pruned to eliminate duplicates Z: 43 27.423 1.998 0.510 0.649 0.905 0.595 CB 1.350 43 residues pruned to eliminate duplicates Z: 23 25.639 2.192 0.326 0.828 1.000 0.818 CB 1.416 23 residues pruned to eliminate duplicates Z: 21 33.475 2.254 0.550 0.894 1.000 0.800 CB 1.537 21 residues pruned to eliminate duplicates Z: 25 23.390 2.072 0.391 0.685 0.958 0.708 CB 1.458 25 residues pruned to eliminate duplicates Z: 30 29.087 1.978 0.576 0.790 1.000 0.724 CB 1.343 30 residues pruned to eliminate duplicates Z: 37 25.538 1.979 0.368 0.648 0.972 0.694 CB 1.408 37 residues pruned to eliminate duplicates Z: 41 25.876 2.008 0.294 0.695 0.925 0.800 CB 1.425 41 residues pruned to eliminate duplicates Z: 43 27.553 1.989 0.385 0.654 0.952 0.667 CB 1.404 43 residues pruned to eliminate duplicates Z: 42 26.968 2.003 0.408 0.676 0.951 0.732 CB 1.334 42 residues pruned to eliminate duplicates Z: 37 25.433 1.995 0.429 0.674 0.917 0.528 CB 1.381 37 residues pruned to eliminate duplicates Z: 22 27.287 2.122 0.525 0.777 1.000 0.857 CB 1.440 22 residues pruned to eliminate duplicates Z: 43 31.831 2.019 0.415 0.701 0.976 0.619 CB 1.466 44 residues pruned to eliminate duplicates Z: 17 28.836 2.256 0.504 0.911 1.000 0.875 CA 1.506 17 residues pruned to eliminate duplicates Z: 40 23.380 1.931 0.489 0.541 0.897 0.590 CB 1.394 40 residues pruned to eliminate duplicates Z: 42 26.249 1.989 0.375 0.650 0.951 0.659 CB 1.370 42 residues pruned to eliminate duplicates Z: 63 40.162 2.053 0.489 0.710 0.968 0.677 CB 1.425 63 residues pruned to eliminate duplicates Z: 42 25.927 2.009 0.349 0.643 0.951 0.610 CB 1.374 42 residues pruned to eliminate duplicates Z: 45 28.691 2.002 0.359 0.651 0.955 0.614 CB 1.447 45 residues pruned to eliminate duplicates Z: 42 28.888 2.005 0.398 0.671 0.951 0.659 CB 1.445 42 residues pruned to eliminate duplicates Z: 54 39.488 2.079 0.593 0.741 0.962 0.660 CB 1.371 54 residues pruned to eliminate duplicates Z: 43 41.961 2.179 0.548 0.814 1.000 0.738 CB 1.460 43 residues pruned to eliminate duplicates Z: 44 30.824 2.045 0.576 0.756 0.907 0.674 CB 1.280 44 residues pruned to eliminate duplicates Z: 86 45.443 2.057 0.563 0.695 0.953 0.647 CB 1.346 86 residues pruned to eliminate duplicates Z: 44 44.846 2.141 0.820 0.819 0.953 0.535 CB 1.396 44 residues pruned to eliminate duplicates Z: 22 37.042 2.150 0.948 0.912 1.000 0.619 CB 1.367 22 residues pruned to eliminate duplicates Z: 32 31.631 2.054 0.811 0.782 0.935 0.452 CB 1.274 32 residues pruned to eliminate duplicates Z: 26 29.661 2.035 0.935 0.815 0.960 0.400 CB 1.194 26 residues pruned to eliminate duplicates Z: 88 41.001 2.023 0.542 0.707 0.908 0.552 CB 1.286 88 residues pruned to eliminate duplicates Z: 75 43.335 2.085 0.689 0.710 0.919 0.568 CB 1.287 75 residues pruned to eliminate duplicates Z: 47 34.616 2.083 0.708 0.743 0.891 0.478 CB 1.295 47 residues pruned to eliminate duplicates Z: 22 34.492 2.093 0.974 0.869 0.952 0.429 CB 1.398 22 residues pruned to eliminate duplicates Z: 48 32.968 2.048 0.657 0.727 0.872 0.383 CB 1.324 48 residues pruned to eliminate duplicates Z: 78 38.654 1.969 0.677 0.660 0.922 0.468 CB 1.247 78 residues pruned to eliminate duplicates Z: 36 27.411 1.971 0.851 0.718 0.886 0.343 CB 1.177 36 residues pruned to eliminate duplicates Z: 67 37.822 2.001 0.533 0.708 0.939 0.515 CB 1.338 67 residues pruned to eliminate duplicates Z: 36 32.030 2.079 0.817 0.724 0.914 0.371 CB 1.281 36 residues pruned to eliminate duplicates Z: 89 43.943 2.009 0.638 0.702 0.909 0.500 CB 1.302 89 residues pruned to eliminate duplicates Z: 24 27.314 2.080 0.598 0.875 0.957 0.435 CB 1.303 24 residues pruned to eliminate duplicates Z: 70 39.629 1.999 0.566 0.691 0.971 0.652 CB 1.318 70 residues pruned to eliminate duplicates Z: 82 46.055 2.061 0.632 0.676 0.988 0.580 CB 1.309 82 residues pruned to eliminate duplicates Z: 110 47.628 2.011 0.624 0.668 0.917 0.560 CB 1.304 110 residues pruned to eliminate duplicates Z: 71 38.152 2.041 0.668 0.681 0.886 0.486 CB 1.280 71 residues pruned to eliminate duplicates Z: 26 36.339 2.124 0.962 0.790 1.000 0.280 CB 1.352 26 residues pruned to eliminate duplicates Z: 24 36.459 2.119 0.997 0.890 0.913 0.348 CB 1.416 24 residues pruned to eliminate duplicates Z: 46 46.682 2.135 0.858 0.847 0.933 0.533 CB 1.396 46 residues pruned to eliminate duplicates Z: 31 20.846 1.961 0.857 0.701 0.800 0.267 CB 1.088 31 residues pruned to eliminate duplicates Z: 78 39.076 2.020 0.533 0.682 0.896 0.597 CB 1.358 78 residues pruned to eliminate duplicates Z: 10 6.370 1.749 0.408 0.641 0.889 0.333 CB 0.850 10 residues pruned to eliminate duplicates Z: 18 11.464 1.923 0.570 0.511 0.824 0.353 CB 1.107 18 residues pruned to eliminate duplicates Z: 85 38.851 2.008 0.524 0.678 0.905 0.405 CB 1.300 85 residues pruned to eliminate duplicates Z: 23 18.214 2.065 0.498 0.589 0.909 0.636 CB 1.269 23 residues pruned to eliminate duplicates Z: 48 38.288 2.084 0.802 0.721 0.936 0.574 CB 1.301 48 residues pruned to eliminate duplicates Z: 41 26.395 2.061 0.503 0.639 0.900 0.600 CB 1.314 63 residues pruned to eliminate duplicates Z: 12 9.731 1.945 0.323 0.508 1.000 0.545 CB 1.131 12 residues pruned to eliminate duplicates Z: 89 42.966 2.039 0.603 0.698 0.909 0.568 CB 1.287 89 residues pruned to eliminate duplicates Z: 42 31.851 2.072 0.626 0.730 0.902 0.707 CB 1.330 42 residues pruned to eliminate duplicates Z: 47 35.418 2.070 0.902 0.709 0.870 0.478 CB 1.261 47 residues pruned to eliminate duplicates Z: 18 14.052 1.954 0.661 0.610 0.765 0.529 CB 1.236 18 residues pruned to eliminate duplicates Z: 35 27.175 2.090 0.527 0.753 0.882 0.794 CB 1.321 35 residues pruned to eliminate duplicates Z: 75 40.930 2.044 0.674 0.687 0.892 0.459 CB 1.313 75 residues pruned to eliminate duplicates Z: 88 46.662 2.059 0.632 0.700 0.920 0.690 CB 1.349 88 residues pruned to eliminate duplicates Z: 23 19.099 2.075 0.717 0.632 0.818 0.636 CB 1.234 23 residues pruned to eliminate duplicates Z: 20 26.538 2.177 0.784 0.715 0.947 0.737 CB 1.361 20 residues pruned to eliminate duplicates Z: 24 20.659 2.090 0.708 0.603 0.870 0.478 CB 1.259 24 residues pruned to eliminate duplicates Z: 51 36.534 2.036 0.813 0.726 0.900 0.460 CB 1.269 51 residues pruned to eliminate duplicates Z: 42 35.462 2.108 0.748 0.714 0.902 0.732 CB 1.372 42 residues pruned to eliminate duplicates Z: 44 34.412 2.042 0.609 0.695 0.930 0.698 CB 1.436 44 residues pruned to eliminate duplicates Z: 38 33.721 2.129 0.648 0.696 0.919 0.649 CA 1.438 38 residues pruned to eliminate duplicates Z: 64 38.394 2.036 0.751 0.683 0.873 0.603 CB 1.315 45 residues pruned to eliminate duplicates Z: 20 18.706 2.029 0.114 0.943 1.000 0.947 CA 1.316 20 residues pruned to eliminate duplicates Z: 21 26.190 2.061 0.467 0.944 1.000 0.900 CA 1.341 20 residues pruned to eliminate duplicates Z: 22 28.980 2.048 0.598 0.938 1.000 0.905 CB 1.344 22 residues pruned to eliminate duplicates Z: 21 34.551 2.112 0.807 0.926 1.000 0.700 CB 1.420 21 residues pruned to eliminate duplicates Z: 22 28.414 2.082 0.587 0.917 1.000 0.810 CB 1.325 22 residues pruned to eliminate duplicates Z: 27 21.874 2.007 0.669 0.699 0.846 0.692 CB 1.263 27 residues pruned to eliminate duplicates Z: 19 24.510 2.111 0.567 0.769 0.944 0.833 CB 1.457 19 residues pruned to eliminate duplicates Z: 19 27.957 2.131 0.819 0.768 0.944 0.611 CB 1.419 19 residues pruned to eliminate duplicates Z: 21 26.399 2.089 0.689 0.797 0.950 0.650 CB 1.358 21 residues pruned to eliminate duplicates Z: 21 28.461 2.112 0.758 0.836 0.950 0.700 CB 1.351 21 residues pruned to eliminate duplicates Z: 43 31.714 2.034 0.685 0.645 0.881 0.643 CB 1.415 26 residues pruned to eliminate duplicates Z: 21 32.844 2.112 0.878 0.925 0.950 0.750 CB 1.367 21 residues pruned to eliminate duplicates Z: 22 31.694 2.096 0.784 0.889 0.952 0.857 CB 1.398 22 residues pruned to eliminate duplicates Z: 21 29.966 2.083 0.921 0.846 0.900 0.550 CB 1.382 21 residues pruned to eliminate duplicates Z: 21 31.900 2.095 1.144 0.855 0.900 0.600 CB 1.302 21 residues pruned to eliminate duplicates Z: 22 31.837 2.057 0.942 0.853 0.952 0.571 CB 1.349 22 residues pruned to eliminate duplicates Z: 24 33.807 2.027 0.973 0.818 0.957 0.565 CB 1.399 24 residues pruned to eliminate duplicates Z: 23 34.859 2.042 0.968 0.852 1.000 0.409 CB 1.367 23 residues pruned to eliminate duplicates Z: 29 30.824 1.975 0.879 0.761 0.929 0.536 CB 1.341 29 residues pruned to eliminate duplicates Z: 46 31.510 1.949 0.882 0.675 0.844 0.489 CB 1.291 46 residues pruned to eliminate duplicates Z: 29 27.407 1.962 0.868 0.732 0.857 0.500 CB 1.338 29 residues pruned to eliminate duplicates Z: 26 29.892 1.990 0.866 0.809 0.960 0.720 CB 1.281 26 residues pruned to eliminate duplicates Z: 22 18.066 2.007 0.669 0.561 0.905 0.571 CB 1.227 22 residues pruned to eliminate duplicates Z: 24 16.460 1.938 0.555 0.550 0.957 0.696 CB 1.134 13 residues pruned to eliminate duplicates Z: 6 10.961 1.829 1.036 0.848 1.000 0.600 CA 0.976 6 residues pruned to eliminate duplicates Z: 22 17.458 1.990 0.870 0.568 0.810 0.524 CB 1.184 22 residues pruned to eliminate duplicates Z: 36 21.502 2.034 0.455 0.533 0.943 0.657 CA 1.261 36 residues pruned to eliminate duplicates Z: 66 45.493 2.039 0.895 0.689 0.923 0.677 CB 1.331 45 residues pruned to eliminate duplicates Z: 18 22.686 2.122 0.917 0.753 0.824 0.588 CB 1.311 18 residues pruned to eliminate duplicates Z: 33 32.734 2.140 0.871 0.622 0.938 0.594 CA 1.374 33 residues pruned to eliminate duplicates Z: 37 33.783 2.072 0.886 0.666 0.972 0.583 CB 1.271 37 residues pruned to eliminate duplicates Z: 43 29.782 2.034 0.708 0.621 0.905 0.571 CB 1.305 43 residues pruned to eliminate duplicates Z: 37 30.780 2.058 0.950 0.589 0.889 0.639 CB 1.320 37 residues pruned to eliminate duplicates Z: 37 29.785 2.000 0.931 0.603 0.944 0.694 CA 1.233 37 residues pruned to eliminate duplicates Z: 35 29.665 2.081 0.863 0.600 0.882 0.676 CA 1.352 35 residues pruned to eliminate duplicates Z: 23 29.693 2.215 0.862 0.677 0.909 0.682 CA 1.435 23 residues pruned to eliminate duplicates Z: 21 22.146 2.061 0.752 0.627 0.900 0.550 CB 1.352 21 residues pruned to eliminate duplicates Z: 60 47.921 2.071 0.945 0.731 0.932 0.661 CB 1.350 60 residues pruned to eliminate duplicates Z: 22 23.595 2.001 0.957 0.638 0.905 0.619 CB 1.277 22 residues pruned to eliminate duplicates Z: 44 29.591 2.052 0.826 0.638 0.837 0.465 CB 1.263 44 residues pruned to eliminate duplicates Z: 59 45.279 2.070 0.992 0.746 0.879 0.517 CB 1.316 59 residues pruned to eliminate duplicates Z: 36 38.122 2.114 1.012 0.684 0.943 0.600 CA 1.357 36 residues pruned to eliminate duplicates Z: 33 30.783 2.088 0.789 0.678 0.906 0.594 CB 1.365 33 residues pruned to eliminate duplicates Z: 23 27.924 2.226 0.613 0.649 1.000 0.727 CA 1.443 23 residues pruned to eliminate duplicates Z: 33 26.843 1.983 0.770 0.671 0.938 0.688 CB 1.232 33 residues pruned to eliminate duplicates Z: 37 27.559 2.037 0.608 0.655 0.917 0.667 CA 1.325 37 residues pruned to eliminate duplicates Z: 45 25.640 1.974 0.665 0.593 0.864 0.545 CB 1.246 45 residues pruned to eliminate duplicates Z: 25 23.096 2.025 0.650 0.600 1.000 0.792 CB 1.282 25 residues pruned to eliminate duplicates Z: 25 22.022 1.991 0.830 0.618 0.875 0.625 CB 1.261 25 residues pruned to eliminate duplicates Z: 17 16.216 2.002 0.995 0.619 0.875 0.500 CA 1.037 17 residues pruned to eliminate duplicates Z: 19 16.638 1.933 0.816 0.719 0.889 0.444 CB 1.031 19 residues pruned to eliminate duplicates Z: 12 14.438 2.148 0.508 0.868 0.909 0.636 CA 1.081 12 residues pruned to eliminate duplicates Z: 31 21.433 2.020 0.568 0.641 0.867 0.633 CB 1.250 31 residues pruned to eliminate duplicates Z: 16 18.694 1.976 0.595 0.730 0.933 0.533 CB 1.335 16 residues pruned to eliminate duplicates Z: 16 13.954 1.967 0.438 0.672 0.800 0.467 CB 1.359 16 residues pruned to eliminate duplicates Z: 42 29.851 2.027 0.590 0.623 0.927 0.561 CB 1.390 42 residues pruned to eliminate duplicates Z: 20 16.265 1.938 0.654 0.618 0.842 0.421 CB 1.237 20 residues pruned to eliminate duplicates Z: 8 4.091 1.671 0.034 0.458 0.714 0.429 CB 1.308 8 residues pruned to eliminate duplicates Z: 22 19.308 1.989 0.530 0.511 0.905 0.524 CB 1.514 22 residues pruned to eliminate duplicates Z: 8 2.935 1.534 -0.004 0.320 0.714 0.286 CB 1.239 8 residues pruned to eliminate duplicates Z: 17 11.092 1.856 0.204 0.547 1.000 0.562 CA 1.184 17 residues pruned to eliminate duplicates Z: 54 30.022 1.885 0.486 0.711 0.962 0.623 CB 1.263 54 residues pruned to eliminate duplicates Z: 7 6.391 1.508 0.405 0.792 1.000 0.500 CB 0.954 7 residues pruned to eliminate duplicates Z: 35 15.120 1.743 0.399 0.609 0.882 0.471 CB 1.087 35 residues pruned to eliminate duplicates Z: 10 8.131 1.513 0.520 0.725 1.000 0.556 CB 0.962 10 residues pruned to eliminate duplicates Z: 11 6.853 1.865 0.272 0.469 0.900 0.300 CA 1.047 11 residues pruned to eliminate duplicates Z: 25 14.920 1.818 0.404 0.618 0.917 0.458 CB 1.164 25 residues pruned to eliminate duplicates Z: 8 4.131 1.537 0.616 0.247 0.857 0.429 CA 0.982 8 residues pruned to eliminate duplicates Z: 31 14.243 1.800 0.361 0.571 0.900 0.433 CB 1.101 31 residues pruned to eliminate duplicates Z: 23 13.580 1.847 0.256 0.615 0.909 0.318 CB 1.231 23 residues pruned to eliminate duplicates Z: 21 11.165 1.875 0.195 0.587 0.800 0.450 CB 1.282 21 residues pruned to eliminate duplicates Z: 22 15.921 1.865 0.415 0.650 0.952 0.333 CB 1.202 22 residues pruned to eliminate duplicates Z: 21 15.382 1.847 0.501 0.684 1.000 0.350 CB 1.048 21 residues pruned to eliminate duplicates Z: 25 17.381 1.893 0.377 0.601 0.958 0.417 CB 1.289 25 residues pruned to eliminate duplicates Z: 19 12.383 1.924 0.255 0.710 0.889 0.500 CB 1.124 19 residues pruned to eliminate duplicates Z: 52 26.639 1.890 0.476 0.675 0.941 0.608 CB 1.210 52 residues pruned to eliminate duplicates Z: 52 28.950 1.954 0.684 0.603 0.882 0.490 CB 1.265 52 residues pruned to eliminate duplicates Z: 37 19.831 1.872 0.527 0.611 0.833 0.444 CB 1.249 37 residues pruned to eliminate duplicates Z: 51 29.236 1.916 0.537 0.681 0.960 0.480 CB 1.239 51 residues pruned to eliminate duplicates Z: 14 15.190 1.979 0.420 0.842 0.923 0.231 CB 1.210 14 residues pruned to eliminate duplicates Z: 17 16.103 1.969 0.334 0.793 0.875 0.750 CB 1.355 17 residues pruned to eliminate duplicates Z: 50 31.065 1.938 0.521 0.691 0.959 0.592 CB 1.318 50 residues pruned to eliminate duplicates Z: 47 23.267 1.846 0.512 0.587 0.935 0.500 CB 1.209 47 residues pruned to eliminate duplicates Z: 24 18.364 1.880 0.516 0.622 0.957 0.783 CB 1.252 24 residues pruned to eliminate duplicates Z: 40 22.403 1.869 0.465 0.684 0.949 0.641 CB 1.166 40 residues pruned to eliminate duplicates Z: 50 33.049 1.938 0.585 0.699 0.980 0.653 CB 1.308 50 residues pruned to eliminate duplicates Z: 27 15.731 1.769 0.448 0.592 0.962 0.615 CB 1.147 27 residues pruned to eliminate duplicates Z: 25 15.651 1.838 0.367 0.587 1.000 0.458 CB 1.170 25 residues pruned to eliminate duplicates Z: 26 26.966 1.987 0.538 0.759 1.000 0.560 CB 1.402 26 residues pruned to eliminate duplicates Z: 25 29.205 1.999 0.522 0.815 1.000 0.833 CB 1.490 25 residues pruned to eliminate duplicates Z: 26 27.991 1.960 0.627 0.762 0.960 0.720 CB 1.449 26 residues pruned to eliminate duplicates Z: 29 25.525 1.918 0.562 0.728 0.964 0.571 CB 1.359 29 residues pruned to eliminate duplicates Z: 26 25.510 2.000 0.548 0.776 0.920 0.640 CB 1.404 26 residues pruned to eliminate duplicates Z: 25 28.425 1.989 0.546 0.800 1.000 0.708 CB 1.452 25 residues pruned to eliminate duplicates Z: 26 30.308 2.000 0.735 0.776 1.000 0.600 CB 1.369 26 residues pruned to eliminate duplicates Z: 12 26.740 2.102 0.815 0.928 1.000 0.818 CA 1.480 12 residues pruned to eliminate duplicates Z: 24 28.591 1.988 0.641 0.778 0.957 0.609 CB 1.495 24 residues pruned to eliminate duplicates Z: 26 29.521 1.959 0.646 0.770 1.000 0.760 CB 1.441 26 residues pruned to eliminate duplicates Z: 27 27.307 1.936 0.687 0.751 0.962 0.654 CB 1.363 27 residues pruned to eliminate duplicates Z: 27 25.778 1.944 0.568 0.732 1.000 0.808 CB 1.346 27 residues pruned to eliminate duplicates Z: 28 25.805 1.922 0.559 0.730 1.000 0.704 CB 1.347 28 residues pruned to eliminate duplicates Z: 29 27.689 1.903 0.641 0.736 1.000 0.643 CB 1.356 29 residues pruned to eliminate duplicates Z: 27 27.174 1.932 0.726 0.744 0.923 0.577 CB 1.392 27 residues pruned to eliminate duplicates Z: 52 22.840 1.809 0.513 0.632 0.882 0.471 CB 1.170 52 residues pruned to eliminate duplicates Z: 28 23.928 1.927 0.480 0.737 0.963 0.630 CB 1.355 28 residues pruned to eliminate duplicates Z: 27 25.944 1.945 0.519 0.746 1.000 0.692 CB 1.383 27 residues pruned to eliminate duplicates Z: 18 18.654 1.807 0.649 0.625 0.941 0.647 CB 1.433 18 residues pruned to eliminate duplicates Z: 13 20.195 1.893 0.607 0.757 1.000 0.750 CA 1.525 13 residues pruned to eliminate duplicates Z: 13 19.571 1.851 0.618 0.761 1.000 0.750 CB 1.496 13 residues pruned to eliminate duplicates Z: 14 16.234 1.822 0.554 0.684 0.923 0.538 CB 1.454 14 residues pruned to eliminate duplicates Z: 53 29.185 1.857 0.568 0.684 0.923 0.615 CB 1.272 53 residues pruned to eliminate duplicates Z: 27 28.129 1.921 0.706 0.762 0.962 0.654 CB 1.388 27 residues pruned to eliminate duplicates Z: 28 23.238 1.886 0.511 0.726 0.963 0.519 CB 1.330 28 residues pruned to eliminate duplicates Z: 25 27.629 1.951 0.750 0.801 0.917 0.583 CB 1.385 25 residues pruned to eliminate duplicates Z: 14 4.065 1.603 0.412 0.311 0.846 0.462 CB 0.726 6 residues pruned to eliminate duplicates 6 1.948 1.624 0.562 0.351 0.800 0.200 CB 0.504 ? 540 residues left after pruning, divided into chains as follows: A: 12 B: 17 C: 12 D: 12 E: 24 F: 38 G: 25 H: 46 I: 65 J: 12 K: 18 L: 127 M: 119 N: 13 CC for partial structure against native data = 38.63 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.372, Connect. = 0.708 for dens.mod. cycle 1 = 0.300, Contrast = 0.425, Connect. = 0.731 for dens.mod. cycle 2 = 0.300, Contrast = 0.512, Connect. = 0.762 for dens.mod. cycle 3 = 0.300, Contrast = 0.521, Connect. = 0.764 for dens.mod. cycle 4 = 0.300, Contrast = 0.532, Connect. = 0.765 for dens.mod. cycle 5 = 0.300, Contrast = 0.538, Connect. = 0.766 for dens.mod. cycle 6 = 0.300, Contrast = 0.544, Connect. = 0.768 for dens.mod. cycle 7 = 0.300, Contrast = 0.548, Connect. = 0.769 for dens.mod. cycle 8 = 0.300, Contrast = 0.552, Connect. = 0.769 for dens.mod. cycle 9 = 0.300, Contrast = 0.554, Connect. = 0.770 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2998 peaks > 0.5 sigma used to seed fragment search Space for about 670 unique residues taking solvent into account 702 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 31.037 2.071 0.818 0.880 0.952 0.762 CB 1.369 B: 22 30.320 2.047 0.717 0.923 1.000 0.810 CB 1.323 22 residues pruned to eliminate duplicates C: 20 28.570 2.070 0.637 0.931 1.000 0.842 CA 1.353 D: 10 13.530 1.902 0.447 0.877 1.000 0.778 CA 1.191 E: 10 22.103 2.274 0.782 0.874 0.889 0.889 CB 1.490 F: 11 18.646 2.169 0.391 0.901 1.000 0.900 CB 1.395 G: 21 30.070 2.079 0.629 0.909 1.000 0.800 CB 1.410 21 residues pruned to eliminate duplicates H: 23 33.651 2.109 0.686 0.891 1.000 0.773 CB 1.450 19 residues pruned to eliminate duplicates I: 17 23.700 2.188 0.482 0.922 0.875 0.438 CA 1.469 J: 8 12.092 2.195 0.061 0.887 1.000 0.857 CA 1.415 8 residues pruned to eliminate duplicates K: 8 11.691 2.093 0.093 0.901 1.000 0.714 CA 1.378 8 residues pruned to eliminate duplicates L: 10 14.392 2.143 0.373 0.861 0.889 0.889 CB 1.347 10 residues pruned to eliminate duplicates M: 20 27.794 2.056 0.449 0.926 1.000 0.789 CB 1.502 19 residues pruned to eliminate duplicates N: 11 12.515 1.893 0.196 0.824 0.900 0.800 CA 1.468 O: 20 28.662 2.106 0.570 0.913 1.000 0.947 CB 1.408 21 residues pruned to eliminate duplicates P: 11 31.527 2.226 1.091 0.886 1.000 0.700 CB 1.545 11 residues pruned to eliminate duplicates Q: 9 15.305 1.965 0.540 0.865 1.000 0.875 CA 1.309 9 residues pruned to eliminate duplicates R: 9 14.068 1.914 0.456 0.840 0.875 0.875 CB 1.522 11 residues pruned to eliminate duplicates S: 15 15.231 2.021 0.169 0.889 1.000 0.786 CB 1.240 T: 15 15.326 2.058 0.255 0.882 0.857 0.786 CB 1.339 15 residues pruned to eliminate duplicates U: 20 26.421 2.147 0.450 0.880 1.000 0.789 CB 1.411 V: 25 25.065 2.100 0.324 0.869 0.958 0.792 CA 1.402 20 residues pruned to eliminate duplicates W: 10 11.117 2.105 -0.016 0.837 0.889 0.778 CB 1.505 10 residues pruned to eliminate duplicates X: 19 28.894 2.108 0.661 0.899 1.000 0.778 CB 1.391 25 residues pruned to eliminate duplicates Y: 23 38.568 2.126 0.907 0.906 1.000 0.682 CB 1.442 23 residues pruned to eliminate duplicates Z: 13 22.354 1.934 0.648 0.923 1.000 1.000 CB 1.423 Z: 22 27.459 2.138 0.634 0.898 0.952 0.429 CB 1.289 19 residues pruned to eliminate duplicates Z: 20 17.613 1.958 0.283 0.838 0.842 0.632 CA 1.428 20 residues pruned to eliminate duplicates Z: 11 22.559 1.906 0.822 0.892 1.000 0.800 CB 1.475 Z: 12 14.760 2.119 0.183 0.829 0.909 0.727 CB 1.469 11 residues pruned to eliminate duplicates Z: 11 21.772 2.124 0.578 0.918 1.000 1.000 CB 1.449 Z: 13 16.727 2.040 0.628 0.911 1.000 0.917 CA 1.031 Z: 12 12.121 1.787 0.238 0.834 0.909 0.727 CA 1.362 9 residues pruned to eliminate duplicates Z: 17 19.833 2.015 0.459 0.883 1.000 0.562 CB 1.219 11 residues pruned to eliminate duplicates Z: 12 17.918 1.983 0.474 0.896 1.000 0.636 CB 1.324 11 residues pruned to eliminate duplicates Z: 11 21.579 1.956 0.711 0.915 1.000 1.000 CB 1.442 11 residues pruned to eliminate duplicates Z: 9 17.132 1.969 0.556 0.906 1.000 0.875 CA 1.407 9 residues pruned to eliminate duplicates Z: 22 25.701 2.073 0.534 0.904 0.952 0.810 CA 1.319 22 residues pruned to eliminate duplicates Z: 15 18.861 1.986 0.675 0.851 0.929 0.714 CB 1.208 10 residues pruned to eliminate duplicates Z: 15 14.574 1.948 0.490 0.825 0.857 0.500 CB 1.182 15 residues pruned to eliminate duplicates Z: 10 11.070 2.185 0.252 0.858 1.000 1.000 CA 0.993 10 residues pruned to eliminate duplicates Z: 22 31.255 2.108 0.571 0.937 1.000 0.810 CA 1.434 23 residues pruned to eliminate duplicates Z: 11 20.682 2.047 0.491 0.909 1.000 1.000 CB 1.521 10 residues pruned to eliminate duplicates Z: 18 20.359 1.867 0.400 0.894 1.000 0.647 CB 1.356 15 residues pruned to eliminate duplicates Z: 12 12.908 1.796 0.331 0.784 0.909 0.545 CA 1.395 12 residues pruned to eliminate duplicates Z: 7 10.741 2.189 0.250 0.826 0.833 0.500 CA 1.451 Z: 16 20.392 1.983 0.523 0.881 1.000 0.800 CB 1.263 Z: 11 15.074 1.891 0.572 0.788 0.900 0.800 CA 1.384 12 residues pruned to eliminate duplicates Z: 18 25.351 2.178 0.588 0.933 0.882 0.353 CB 1.406 18 residues pruned to eliminate duplicates Z: 16 14.924 1.967 0.498 0.880 1.000 0.667 CB 0.948 15 residues pruned to eliminate duplicates Z: 27 27.220 2.093 0.426 0.894 0.885 0.577 CA 1.451 18 residues pruned to eliminate duplicates Z: 11 20.455 2.093 0.500 0.887 1.000 0.700 CB 1.485 11 residues pruned to eliminate duplicates Z: 25 31.575 2.090 0.554 0.881 1.000 0.583 CA 1.436 22 residues pruned to eliminate duplicates Z: 21 35.442 2.066 0.936 0.934 1.000 0.650 CB 1.381 22 residues pruned to eliminate duplicates Z: 13 21.406 1.931 0.599 0.885 1.000 0.583 CA 1.445 Z: 21 35.219 2.124 0.893 0.939 1.000 0.750 CB 1.360 21 residues pruned to eliminate duplicates Z: 13 20.824 2.107 0.807 0.908 0.917 0.917 CA 1.223 13 residues pruned to eliminate duplicates Z: 9 10.365 1.941 0.464 0.688 0.875 0.500 CB 1.240 8 residues pruned to eliminate duplicates Z: 10 21.009 2.267 0.687 0.896 0.889 0.889 CB 1.476 10 residues pruned to eliminate duplicates Z: 11 16.275 1.891 0.254 0.869 1.000 0.800 CA 1.585 11 residues pruned to eliminate duplicates Z: 19 35.290 2.203 0.737 0.880 1.000 0.667 CB 1.574 21 residues pruned to eliminate duplicates Z: 16 12.224 1.893 0.006 0.855 0.933 0.800 CB 1.310 16 residues pruned to eliminate duplicates Z: 12 25.959 2.062 0.848 0.929 1.000 0.818 CB 1.438 12 residues pruned to eliminate duplicates Z: 18 23.034 2.135 0.518 0.891 0.882 0.647 CA 1.404 18 residues pruned to eliminate duplicates Z: 12 14.160 2.080 0.166 0.900 1.000 0.545 CB 1.258 12 residues pruned to eliminate duplicates Z: 8 12.374 2.157 0.103 0.869 1.000 0.857 CB 1.437 8 residues pruned to eliminate duplicates Z: 20 23.761 2.075 0.390 0.853 1.000 0.684 CA 1.397 20 residues pruned to eliminate duplicates Z: 28 24.741 2.051 0.724 0.654 0.963 0.481 CB 1.212 Z: 20 27.582 2.145 0.659 0.862 0.947 0.579 CB 1.379 20 residues pruned to eliminate duplicates Z: 12 21.582 1.832 0.961 0.813 1.000 0.818 CA 1.379 11 residues pruned to eliminate duplicates Z: 17 21.017 1.949 0.509 0.871 1.000 0.562 CB 1.304 18 residues pruned to eliminate duplicates Z: 20 13.103 1.809 0.104 0.741 1.000 0.684 CB 1.214 18 residues pruned to eliminate duplicates Z: 15 16.071 1.990 0.209 0.832 1.000 0.786 CB 1.340 15 residues pruned to eliminate duplicates Z: 14 19.026 1.869 0.452 0.911 1.000 0.923 CA 1.378 14 residues pruned to eliminate duplicates Z: 12 17.586 2.037 0.294 0.889 1.000 0.818 CB 1.448 12 residues pruned to eliminate duplicates Z: 23 38.769 2.128 0.959 0.921 0.955 0.818 CB 1.462 23 residues pruned to eliminate duplicates Z: 22 13.833 1.812 0.669 0.516 0.905 0.571 CB 1.086 20 residues pruned to eliminate duplicates Z: 23 28.914 2.077 0.505 0.924 1.000 0.864 CA 1.385 23 residues pruned to eliminate duplicates Z: 23 31.590 2.058 0.610 0.939 1.000 0.909 CA 1.413 23 residues pruned to eliminate duplicates Z: 14 23.598 1.918 0.930 0.898 1.000 0.692 CB 1.265 14 residues pruned to eliminate duplicates Z: 11 17.155 1.796 0.420 0.924 1.000 0.700 CA 1.494 Z: 9 11.248 1.988 0.330 0.874 0.875 0.750 CA 1.252 9 residues pruned to eliminate duplicates Z: 12 13.100 2.177 0.565 0.858 0.727 0.545 CA 1.174 12 residues pruned to eliminate duplicates Z: 9 11.146 1.851 0.403 0.849 1.000 0.625 CA 1.125 9 residues pruned to eliminate duplicates Z: 18 14.889 1.882 0.401 0.837 0.882 0.588 CB 1.161 18 residues pruned to eliminate duplicates Z: 23 25.733 2.048 0.382 0.929 1.000 0.955 CA 1.356 23 residues pruned to eliminate duplicates Z: 25 24.703 2.144 0.292 0.861 0.958 0.792 CA 1.396 25 residues pruned to eliminate duplicates Z: 12 11.681 2.107 -0.194 0.942 1.000 0.909 CB 1.438 12 residues pruned to eliminate duplicates Z: 14 17.851 1.804 1.167 0.913 0.846 0.769 CB 1.059 Z: 8 8.859 1.699 0.043 0.848 1.000 0.714 O 1.402 Z: 22 33.359 2.066 0.766 0.903 1.000 0.810 CB 1.422 22 residues pruned to eliminate duplicates Z: 23 23.469 2.058 0.252 0.900 1.000 0.773 CA 1.387 23 residues pruned to eliminate duplicates Z: 18 14.355 1.898 0.382 0.770 0.882 0.471 CB 1.185 18 residues pruned to eliminate duplicates Z: 25 23.343 2.027 0.426 0.902 0.917 0.625 CA 1.283 25 residues pruned to eliminate duplicates Z: 13 23.027 2.153 0.710 0.881 0.917 0.667 CA 1.426 13 residues pruned to eliminate duplicates Z: 12 18.698 2.134 0.397 0.918 1.000 0.636 CB 1.333 12 residues pruned to eliminate duplicates Z: 25 25.024 2.047 0.758 0.572 0.917 0.458 CB 1.444 8 residues pruned to eliminate duplicates Z: 8 11.871 1.915 0.632 0.752 1.000 0.714 CA 1.147 8 residues pruned to eliminate duplicates Z: 14 21.106 1.899 0.691 0.914 1.000 0.692 CA 1.290 13 residues pruned to eliminate duplicates Z: 26 22.452 2.113 0.172 0.902 0.960 0.720 CA 1.347 26 residues pruned to eliminate duplicates Z: 17 20.650 1.921 0.477 0.906 1.000 0.688 CB 1.295 17 residues pruned to eliminate duplicates Z: 7 7.719 1.983 -0.101 0.804 1.000 0.500 CA 1.356 7 residues pruned to eliminate duplicates Z: 20 23.580 2.146 0.835 0.496 0.895 0.526 CA 1.541 10 residues pruned to eliminate duplicates Z: 23 34.659 2.075 0.727 0.908 1.000 0.727 CB 1.465 23 residues pruned to eliminate duplicates Z: 24 24.633 2.082 0.258 0.910 1.000 0.870 CA 1.391 24 residues pruned to eliminate duplicates Z: 22 30.669 2.087 0.682 0.917 0.952 0.667 CB 1.413 22 residues pruned to eliminate duplicates Z: 22 28.687 2.157 0.454 0.879 1.000 0.762 CB 1.448 22 residues pruned to eliminate duplicates Z: 8 6.555 1.847 0.109 0.840 1.000 1.000 CB 0.902 Z: 24 31.730 2.152 0.502 0.917 1.000 0.609 CA 1.445 24 residues pruned to eliminate duplicates Z: 11 17.092 1.841 0.536 0.857 1.000 0.600 CA 1.408 11 residues pruned to eliminate duplicates Z: 13 21.336 1.912 1.224 0.902 0.917 0.583 CB 1.127 14 residues pruned to eliminate duplicates Z: 11 31.082 2.054 1.130 0.939 1.000 0.600 CA 1.561 11 residues pruned to eliminate duplicates Z: 6 4.298 1.602 0.467 0.788 0.800 0.600 CB 0.794 Z: 38 22.836 1.824 0.404 0.601 0.973 0.649 CA 1.368 24 residues pruned to eliminate duplicates Z: 12 27.274 2.024 0.882 0.906 1.000 0.636 CA 1.536 13 residues pruned to eliminate duplicates Z: 21 33.234 2.084 0.870 0.926 1.000 0.750 CB 1.337 21 residues pruned to eliminate duplicates Z: 16 18.642 1.983 0.659 0.860 1.000 0.933 CB 1.076 16 residues pruned to eliminate duplicates Z: 14 27.043 2.110 0.937 0.938 1.000 0.538 CB 1.276 14 residues pruned to eliminate duplicates Z: 12 22.069 2.176 0.767 0.885 1.000 0.636 CA 1.250 12 residues pruned to eliminate duplicates Z: 22 29.034 1.978 0.845 0.914 1.000 0.857 CB 1.228 19 residues pruned to eliminate duplicates Z: 19 16.131 2.030 0.516 0.435 1.000 0.500 CA 1.323 19 residues pruned to eliminate duplicates Z: 14 27.169 2.013 0.983 0.914 1.000 0.692 CB 1.335 14 residues pruned to eliminate duplicates Z: 26 24.342 2.001 0.764 0.701 0.920 0.600 CB 1.248 14 residues pruned to eliminate duplicates Z: 6 6.390 1.668 0.343 0.682 1.000 0.600 CA 1.078 6 residues pruned to eliminate duplicates Z: 30 19.639 1.944 0.484 0.616 0.897 0.655 CB 1.264 30 residues pruned to eliminate duplicates Z: 8 5.091 1.631 0.266 0.882 1.000 0.857 CB 0.675 8 residues pruned to eliminate duplicates Z: 20 26.173 2.152 0.474 0.908 1.000 0.947 CB 1.345 20 residues pruned to eliminate duplicates Z: 24 13.814 1.798 0.388 0.502 0.913 0.783 CB 1.261 24 residues pruned to eliminate duplicates Z: 10 6.080 1.645 0.200 0.366 1.000 0.778 CB 1.186 Z: 13 21.215 1.927 0.647 0.919 1.000 0.667 CA 1.360 12 residues pruned to eliminate duplicates Z: 25 30.231 2.059 0.518 0.929 0.958 0.917 CB 1.442 25 residues pruned to eliminate duplicates Z: 26 23.535 2.037 0.335 0.902 1.000 0.880 CA 1.234 26 residues pruned to eliminate duplicates Z: 13 23.388 1.869 0.834 0.904 1.000 0.750 N 1.402 13 residues pruned to eliminate duplicates Z: 12 20.315 2.055 0.512 0.915 1.000 1.000 CA 1.393 12 residues pruned to eliminate duplicates Z: 27 26.938 1.962 0.590 0.768 0.962 0.654 CB 1.389 14 residues pruned to eliminate duplicates Z: 20 32.043 2.090 0.867 0.910 1.000 0.842 CB 1.336 20 residues pruned to eliminate duplicates Z: 19 34.144 2.203 0.729 0.887 1.000 0.722 CB 1.522 19 residues pruned to eliminate duplicates Z: 24 34.539 2.026 1.002 0.900 0.913 0.565 CB 1.389 24 residues pruned to eliminate duplicates Z: 19 26.411 2.073 0.615 0.896 0.944 0.889 CA 1.410 19 residues pruned to eliminate duplicates Z: 26 29.557 2.078 0.463 0.900 0.960 0.720 CB 1.447 26 residues pruned to eliminate duplicates Z: 25 30.166 2.081 0.626 0.890 0.917 0.625 CB 1.428 25 residues pruned to eliminate duplicates Z: 10 18.857 1.841 0.588 0.910 1.000 0.778 CB 1.525 10 residues pruned to eliminate duplicates Z: 12 14.993 1.982 0.336 0.902 1.000 0.818 CB 1.218 13 residues pruned to eliminate duplicates Z: 12 19.770 1.902 0.680 0.868 1.000 0.545 CA 1.364 12 residues pruned to eliminate duplicates Z: 23 33.804 2.101 0.906 0.920 0.909 0.682 CB 1.394 23 residues pruned to eliminate duplicates Z: 11 18.770 1.866 0.553 0.880 1.000 0.900 CA 1.484 11 residues pruned to eliminate duplicates Z: 17 17.988 1.989 0.402 0.858 1.000 0.750 CB 1.187 17 residues pruned to eliminate duplicates Z: 7 10.152 2.097 0.345 0.769 0.833 0.500 CA 1.389 7 residues pruned to eliminate duplicates Z: 14 21.009 1.940 0.593 0.917 1.000 0.923 CA 1.330 14 residues pruned to eliminate duplicates Z: 26 26.548 2.119 0.414 0.911 0.920 0.640 CA 1.366 26 residues pruned to eliminate duplicates Z: 10 12.686 1.699 0.487 0.901 1.000 0.889 CB 1.194 10 residues pruned to eliminate duplicates Z: 13 5.889 1.545 0.598 0.268 0.833 0.500 CB 1.076 Z: 6 7.018 1.639 0.543 0.776 0.800 0.600 CA 1.216 6 residues pruned to eliminate duplicates Z: 25 16.901 1.754 0.454 0.565 0.917 0.750 CA 1.385 25 residues pruned to eliminate duplicates Z: 6 7.456 1.804 0.271 0.717 0.800 0.800 CB 1.494 6 residues pruned to eliminate duplicates Z: 13 18.865 1.960 0.856 0.854 1.000 0.583 CB 1.105 13 residues pruned to eliminate duplicates Z: 24 24.188 2.110 0.273 0.848 1.000 0.870 CA 1.392 24 residues pruned to eliminate duplicates Z: 12 21.475 2.011 0.778 0.922 1.000 0.455 CB 1.273 12 residues pruned to eliminate duplicates Z: 12 25.883 2.032 0.807 0.922 1.000 0.909 CA 1.494 12 residues pruned to eliminate duplicates Z: 23 36.491 2.133 1.025 0.906 0.909 0.545 CB 1.409 23 residues pruned to eliminate duplicates Z: 8 11.837 2.100 0.305 0.869 0.857 0.714 CA 1.391 8 residues pruned to eliminate duplicates Z: 25 23.528 2.090 0.253 0.810 1.000 0.750 CB 1.399 25 residues pruned to eliminate duplicates Z: 12 21.046 2.040 1.009 0.778 1.000 0.636 CB 1.212 12 residues pruned to eliminate duplicates Z: 19 21.781 2.098 0.260 0.868 1.000 0.778 CA 1.420 19 residues pruned to eliminate duplicates Z: 23 24.053 2.139 0.242 0.859 0.955 0.682 CB 1.488 23 residues pruned to eliminate duplicates Z: 14 16.661 1.909 0.334 0.917 1.000 0.923 CA 1.281 14 residues pruned to eliminate duplicates Z: 57 38.586 2.025 0.503 0.707 0.964 0.661 CA 1.456 45 residues pruned to eliminate duplicates Z: 22 26.522 2.101 0.354 0.918 1.000 0.952 CB 1.435 22 residues pruned to eliminate duplicates Z: 25 31.116 2.149 0.472 0.919 0.958 0.375 CB 1.477 25 residues pruned to eliminate duplicates Z: 10 13.835 1.967 0.207 0.779 1.000 0.556 CB 1.519 10 residues pruned to eliminate duplicates Z: 14 9.487 1.843 0.457 0.459 0.846 0.385 CA 1.208 10 residues pruned to eliminate duplicates Z: 23 41.047 2.112 1.021 0.938 1.000 0.500 CB 1.425 23 residues pruned to eliminate duplicates Z: 8 8.905 1.835 0.054 0.876 1.000 0.857 CB 1.264 Z: 22 21.918 1.828 0.927 0.820 0.952 0.571 CB 1.080 22 residues pruned to eliminate duplicates Z: 13 21.016 2.110 0.585 0.931 1.000 0.583 CB 1.268 13 residues pruned to eliminate duplicates Z: 8 14.038 1.844 0.742 0.828 0.857 0.857 CB 1.451 8 residues pruned to eliminate duplicates Z: 15 19.357 2.078 0.399 0.874 1.000 0.714 CA 1.295 15 residues pruned to eliminate duplicates Z: 88 45.487 2.031 0.576 0.658 0.943 0.621 CB 1.395 79 residues pruned to eliminate duplicates Z: 8 6.015 1.718 0.656 0.350 0.857 0.571 CA 1.097 Z: 18 15.000 1.876 0.629 0.550 0.941 0.412 CB 1.204 Z: 14 17.689 1.846 0.726 0.822 0.923 0.692 CB 1.261 14 residues pruned to eliminate duplicates Z: 11 20.659 2.202 0.593 0.866 0.900 0.900 CB 1.515 11 residues pruned to eliminate duplicates Z: 13 27.032 2.115 0.964 0.930 1.000 0.833 CB 1.313 13 residues pruned to eliminate duplicates Z: 9 13.840 1.789 0.599 0.827 1.000 0.625 CA 1.289 9 residues pruned to eliminate duplicates Z: 14 16.722 2.035 0.670 0.824 0.923 0.692 CB 1.117 14 residues pruned to eliminate duplicates Z: 13 19.237 1.891 0.794 0.934 1.000 0.750 CB 1.142 12 residues pruned to eliminate duplicates Z: 19 27.102 2.132 0.506 0.898 1.000 0.667 CA 1.423 19 residues pruned to eliminate duplicates Z: 7 11.665 2.163 0.110 0.871 1.000 0.667 CA 1.447 7 residues pruned to eliminate duplicates Z: 13 18.853 1.858 0.492 0.909 1.000 0.833 CA 1.393 13 residues pruned to eliminate duplicates Z: 11 15.569 1.783 0.606 0.888 0.900 0.600 CB 1.376 10 residues pruned to eliminate duplicates Z: 12 10.491 1.832 0.545 0.746 0.727 0.364 CB 1.232 Z: 10 13.352 1.614 0.487 0.871 1.000 0.778 CA 1.352 8 residues pruned to eliminate duplicates Z: 11 11.511 1.802 0.453 0.878 1.000 0.900 CB 1.009 11 residues pruned to eliminate duplicates Z: 12 21.723 1.870 1.092 0.823 1.000 0.818 CA 1.265 18 residues pruned to eliminate duplicates Z: 18 23.424 2.044 0.418 0.866 0.941 0.647 CA 1.524 18 residues pruned to eliminate duplicates Z: 14 16.975 1.918 0.299 0.883 1.000 0.692 CA 1.367 14 residues pruned to eliminate duplicates Z: 21 22.361 2.030 0.428 0.886 1.000 0.850 CB 1.244 21 residues pruned to eliminate duplicates Z: 11 16.476 1.792 0.749 0.887 0.900 0.700 CB 1.333 11 residues pruned to eliminate duplicates Z: 7 7.693 1.963 0.149 0.894 1.000 0.833 CB 0.999 7 residues pruned to eliminate duplicates Z: 16 16.195 2.009 0.277 0.899 0.933 0.800 CB 1.248 16 residues pruned to eliminate duplicates Z: 18 21.573 2.123 0.365 0.900 0.941 0.706 CA 1.370 18 residues pruned to eliminate duplicates Z: 11 13.639 1.865 0.767 0.903 0.900 0.800 CB 1.036 11 residues pruned to eliminate duplicates Z: 6 10.169 1.872 0.494 0.860 1.000 0.600 CB 1.196 6 residues pruned to eliminate duplicates Z: 17 23.103 1.919 0.665 0.908 1.000 0.688 CB 1.283 17 residues pruned to eliminate duplicates Z: 10 9.963 1.937 0.064 0.899 1.000 0.778 CB 1.151 12 residues pruned to eliminate duplicates Z: 16 22.171 2.003 0.514 0.917 1.000 0.800 CB 1.332 16 residues pruned to eliminate duplicates Z: 9 15.481 2.193 0.461 0.883 1.000 0.500 CB 1.235 9 residues pruned to eliminate duplicates Z: 12 16.999 2.024 0.328 0.927 1.000 0.818 CA 1.336 12 residues pruned to eliminate duplicates Z: 13 20.606 1.926 0.604 0.931 1.000 1.000 CB 1.345 13 residues pruned to eliminate duplicates Z: 8 12.246 1.717 0.382 0.904 1.000 1.000 CB 1.390 8 residues pruned to eliminate duplicates Z: 7 15.661 1.938 0.748 0.885 1.000 0.833 CB 1.363 7 residues pruned to eliminate duplicates Z: 23 20.798 1.995 0.651 0.661 0.955 0.545 CB 1.215 24 residues pruned to eliminate duplicates Z: 21 36.593 2.162 0.980 0.939 0.900 0.400 CB 1.476 21 residues pruned to eliminate duplicates Z: 23 38.759 2.164 0.926 0.932 1.000 0.773 CB 1.385 23 residues pruned to eliminate duplicates Z: 19 38.290 2.219 1.026 0.910 1.000 0.611 CB 1.424 19 residues pruned to eliminate duplicates Z: 12 9.318 2.154 -0.035 0.867 0.909 0.818 CA 1.087 12 residues pruned to eliminate duplicates Z: 17 20.219 1.884 0.594 0.909 0.938 0.812 CB 1.275 17 residues pruned to eliminate duplicates Z: 15 14.905 2.032 0.522 0.443 0.786 0.286 CA 1.739 15 residues pruned to eliminate duplicates Z: 25 29.235 2.130 0.425 0.856 0.958 0.708 CA 1.513 25 residues pruned to eliminate duplicates Z: 11 8.674 1.694 0.184 0.797 1.000 0.500 CB 1.054 5 residues pruned to eliminate duplicates Z: 14 6.485 1.650 0.410 0.357 0.846 0.538 CB 1.066 Z: 14 19.715 2.039 0.663 0.858 1.000 0.846 CB 1.187 14 residues pruned to eliminate duplicates Z: 11 21.775 1.980 0.737 0.862 1.000 0.600 CA 1.470 11 residues pruned to eliminate duplicates Z: 12 20.651 1.804 0.745 0.897 1.000 0.727 CA 1.416 12 residues pruned to eliminate duplicates Z: 25 17.426 2.016 0.710 0.440 0.792 0.458 CA 1.387 22 residues pruned to eliminate duplicates Z: 12 24.359 1.991 0.860 0.898 1.000 0.455 CB 1.419 13 residues pruned to eliminate duplicates Z: 17 21.991 1.939 0.522 0.900 1.000 0.812 CB 1.331 17 residues pruned to eliminate duplicates Z: 8 11.716 1.766 0.740 0.682 1.000 0.714 CA 1.220 8 residues pruned to eliminate duplicates Z: 13 5.166 1.747 0.195 0.332 0.750 0.500 CB 1.144 8 residues pruned to eliminate duplicates Z: 8 8.728 1.761 0.548 0.751 0.857 0.857 CB 1.129 8 residues pruned to eliminate duplicates Z: 57 41.953 2.037 0.644 0.690 0.964 0.571 CB 1.459 55 residues pruned to eliminate duplicates Z: 11 19.541 1.804 0.620 0.907 1.000 0.900 CA 1.503 11 residues pruned to eliminate duplicates Z: 8 15.194 2.074 0.495 0.802 1.000 0.714 CB 1.423 8 residues pruned to eliminate duplicates Z: 19 23.848 2.128 0.490 0.891 0.944 0.722 CB 1.350 19 residues pruned to eliminate duplicates Z: 9 9.696 1.798 0.455 0.736 0.875 0.500 CA 1.212 9 residues pruned to eliminate duplicates Z: 11 17.593 1.803 0.481 0.918 1.000 0.800 CA 1.469 11 residues pruned to eliminate duplicates Z: 11 14.025 1.767 0.414 0.881 1.000 0.500 CB 1.285 11 residues pruned to eliminate duplicates Z: 27 26.246 2.020 0.503 0.517 1.000 0.500 CA 1.668 27 residues pruned to eliminate duplicates Z: 13 20.928 1.917 1.160 0.899 0.917 0.500 CB 1.138 13 residues pruned to eliminate duplicates Z: 29 24.246 2.058 0.714 0.629 0.929 0.607 CB 1.239 29 residues pruned to eliminate duplicates Z: 35 17.911 1.926 0.410 0.494 0.765 0.471 CA 1.488 35 residues pruned to eliminate duplicates Z: 19 19.996 2.031 0.675 0.492 0.944 0.333 CA 1.479 19 residues pruned to eliminate duplicates Z: 35 20.850 1.935 0.676 0.596 0.941 0.500 CB 1.069 35 residues pruned to eliminate duplicates Z: 11 15.200 1.757 0.485 0.900 1.000 0.700 CB 1.315 11 residues pruned to eliminate duplicates Z: 17 11.534 1.891 0.126 0.837 0.875 0.625 CB 1.157 17 residues pruned to eliminate duplicates Z: 12 9.592 1.639 0.046 0.868 1.000 0.727 CA 1.234 12 residues pruned to eliminate duplicates Z: 18 20.352 1.865 0.472 0.922 0.941 0.588 CB 1.343 18 residues pruned to eliminate duplicates Z: 8 9.212 1.647 0.176 0.908 1.000 0.857 CB 1.277 9 residues pruned to eliminate duplicates Z: 7 9.338 2.011 0.507 0.797 0.833 0.667 CA 1.163 7 residues pruned to eliminate duplicates Z: 10 10.509 1.616 0.263 0.908 1.000 0.778 CB 1.219 10 residues pruned to eliminate duplicates Z: 8 6.023 1.801 -0.010 0.866 0.857 0.714 CB 1.091 8 residues pruned to eliminate duplicates Z: 11 23.264 1.908 0.845 0.930 1.000 0.900 CA 1.460 11 residues pruned to eliminate duplicates Z: 13 16.312 1.895 0.462 0.921 1.000 0.917 CB 1.197 13 residues pruned to eliminate duplicates Z: 16 18.498 1.963 0.595 0.827 1.000 0.667 CB 1.150 16 residues pruned to eliminate duplicates Z: 23 27.971 1.999 0.879 0.836 0.909 0.545 CB 1.307 23 residues pruned to eliminate duplicates Z: 17 16.253 1.939 0.372 0.851 0.938 0.562 CB 1.206 17 residues pruned to eliminate duplicates Z: 17 17.851 1.966 0.354 0.885 1.000 0.875 CB 1.211 17 residues pruned to eliminate duplicates Z: 11 20.929 1.849 0.727 0.841 1.000 0.900 CA 1.545 11 residues pruned to eliminate duplicates Z: 10 10.242 1.668 0.862 0.674 0.778 0.222 CB 1.204 10 residues pruned to eliminate duplicates Z: 23 42.528 2.131 1.069 0.949 1.000 0.500 CB 1.419 23 residues pruned to eliminate duplicates Z: 24 31.136 2.170 0.603 0.910 0.957 0.652 CB 1.383 24 residues pruned to eliminate duplicates Z: 19 12.325 1.811 0.695 0.493 0.833 0.333 CB 1.143 19 residues pruned to eliminate duplicates Z: 8 6.452 1.405 0.409 0.860 0.857 0.857 O 1.057 Z: 20 35.859 2.177 0.926 0.947 1.000 0.789 CB 1.355 20 residues pruned to eliminate duplicates Z: 11 17.304 1.795 0.553 0.870 1.000 0.600 CB 1.432 11 residues pruned to eliminate duplicates Z: 10 8.654 1.684 0.157 0.825 1.000 0.667 CB 1.117 10 residues pruned to eliminate duplicates Z: 6 9.323 2.226 0.029 0.805 1.000 1.000 CA 1.395 6 residues pruned to eliminate duplicates Z: 44 36.166 2.043 0.746 0.655 0.930 0.326 CB 1.438 44 residues pruned to eliminate duplicates Z: 6 9.891 1.792 0.623 0.794 0.800 0.600 CA 1.470 6 residues pruned to eliminate duplicates Z: 11 18.312 2.192 0.502 0.903 1.000 0.900 CA 1.254 11 residues pruned to eliminate duplicates Z: 23 29.500 2.100 0.545 0.917 1.000 0.864 CB 1.368 23 residues pruned to eliminate duplicates Z: 11 14.947 1.744 0.692 0.864 1.000 0.500 CB 1.174 11 residues pruned to eliminate duplicates Z: 23 23.722 2.116 0.299 0.872 0.955 0.727 CA 1.405 23 residues pruned to eliminate duplicates Z: 47 35.300 2.033 0.539 0.731 0.935 0.609 CB 1.445 47 residues pruned to eliminate duplicates Z: 19 11.292 1.827 0.573 0.484 0.778 0.444 CB 1.210 19 residues pruned to eliminate duplicates Z: 11 12.268 1.767 0.247 0.891 1.000 0.500 CB 1.266 11 residues pruned to eliminate duplicates Z: 14 21.845 1.891 0.654 0.894 1.000 0.385 CB 1.390 14 residues pruned to eliminate duplicates Z: 13 18.231 1.888 0.859 0.876 0.917 0.750 CB 1.189 13 residues pruned to eliminate duplicates Z: 21 36.250 2.103 0.946 0.940 1.000 0.850 CB 1.375 21 residues pruned to eliminate duplicates Z: 21 24.345 2.037 0.275 0.918 1.000 0.900 CB 1.478 21 residues pruned to eliminate duplicates Z: 12 22.398 2.098 0.687 0.926 1.000 0.818 CB 1.337 12 residues pruned to eliminate duplicates Z: 6 9.352 1.717 0.868 0.869 1.000 1.000 CB 0.952 Z: 6 5.238 1.539 0.261 0.621 1.000 0.800 CB 1.077 Z: 30 19.521 1.940 0.844 0.605 0.862 0.483 CB 1.063 30 residues pruned to eliminate duplicates Z: 12 19.414 1.862 0.954 0.780 0.909 0.818 CB 1.383 13 residues pruned to eliminate duplicates Z: 12 24.694 2.123 0.604 0.926 1.000 0.909 CB 1.534 12 residues pruned to eliminate duplicates Z: 38 30.597 2.073 0.537 0.684 0.946 0.541 CB 1.409 38 residues pruned to eliminate duplicates Z: 13 19.305 2.052 0.562 0.866 0.917 0.750 CA 1.389 13 residues pruned to eliminate duplicates Z: 43 29.927 2.017 0.420 0.709 0.976 0.690 CB 1.367 44 residues pruned to eliminate duplicates Z: 11 14.558 1.757 0.416 0.884 1.000 0.900 CB 1.337 11 residues pruned to eliminate duplicates Z: 6 5.861 1.583 0.581 0.661 0.800 0.800 N 1.127 Z: 11 13.063 1.853 0.856 0.765 0.900 0.400 CB 1.055 11 residues pruned to eliminate duplicates Z: 21 34.611 2.050 1.098 0.941 1.000 0.550 CB 1.249 21 residues pruned to eliminate duplicates Z: 11 14.323 1.873 0.541 0.749 1.000 0.600 CB 1.257 12 residues pruned to eliminate duplicates Z: 12 7.913 1.687 -0.002 0.800 0.909 0.636 CB 1.199 12 residues pruned to eliminate duplicates Z: 11 15.924 1.751 0.539 0.900 1.000 0.800 CB 1.334 11 residues pruned to eliminate duplicates Z: 10 14.811 1.863 0.517 0.867 1.000 0.667 CB 1.278 10 residues pruned to eliminate duplicates Z: 9 6.730 1.684 0.213 0.476 0.875 0.625 CA 1.364 9 residues pruned to eliminate duplicates Z: 7 5.342 2.033 0.023 0.550 1.000 0.667 CB 0.999 Z: 13 24.201 2.052 0.662 0.909 1.000 0.833 CA 1.454 13 residues pruned to eliminate duplicates Z: 11 20.863 2.161 0.710 0.905 0.900 0.400 CB 1.411 11 residues pruned to eliminate duplicates Z: 14 7.984 1.667 0.383 0.438 1.000 0.692 CB 1.024 13 residues pruned to eliminate duplicates Z: 10 6.481 1.897 0.247 0.343 0.778 0.444 CA 1.392 10 residues pruned to eliminate duplicates Z: 21 32.964 2.130 0.761 0.939 0.950 0.700 CB 1.438 21 residues pruned to eliminate duplicates Z: 9 9.730 1.632 0.550 0.837 1.000 0.875 CB 1.017 9 residues pruned to eliminate duplicates Z: 8 3.349 1.300 0.525 0.508 1.000 0.714 CB 0.633 Z: 12 21.734 1.794 0.855 0.884 1.000 0.818 CA 1.423 12 residues pruned to eliminate duplicates Z: 44 28.019 1.994 0.412 0.670 0.930 0.558 CB 1.394 43 residues pruned to eliminate duplicates Z: 26 25.171 2.092 0.540 0.900 0.880 0.520 CA 1.269 26 residues pruned to eliminate duplicates Z: 21 33.935 2.062 1.034 0.945 1.000 0.250 CB 1.252 21 residues pruned to eliminate duplicates Z: 27 18.644 1.758 0.464 0.536 0.962 0.654 CA 1.426 27 residues pruned to eliminate duplicates Z: 42 24.983 1.999 0.330 0.705 0.951 0.561 CB 1.280 42 residues pruned to eliminate duplicates Z: 10 10.797 1.581 0.418 0.824 0.889 0.556 CB 1.365 10 residues pruned to eliminate duplicates Z: 19 18.015 2.099 0.600 0.574 0.833 0.389 CA 1.414 19 residues pruned to eliminate duplicates Z: 12 9.311 1.779 0.353 0.714 0.909 0.636 CB 1.057 12 residues pruned to eliminate duplicates Z: 8 8.456 1.849 0.317 0.846 1.000 0.714 CB 0.975 8 residues pruned to eliminate duplicates Z: 17 13.118 1.841 0.236 0.845 0.938 0.875 CB 1.143 17 residues pruned to eliminate duplicates Z: 22 37.269 2.122 0.908 0.900 0.952 0.714 CB 1.506 22 residues pruned to eliminate duplicates Z: 11 10.362 1.778 0.513 0.565 1.000 1.000 CB 1.144 11 residues pruned to eliminate duplicates Z: 11 9.730 1.445 0.320 0.789 1.000 0.600 CB 1.251 11 residues pruned to eliminate duplicates Z: 10 10.485 1.713 0.467 0.895 1.000 0.889 CA 0.997 10 residues pruned to eliminate duplicates Z: 52 36.240 2.003 0.922 0.648 0.882 0.510 CB 1.301 53 residues pruned to eliminate duplicates Z: 20 17.250 1.876 0.686 0.696 0.842 0.526 CB 1.242 20 residues pruned to eliminate duplicates Z: 14 22.602 2.119 0.578 0.900 1.000 0.692 CA 1.339 15 residues pruned to eliminate duplicates Z: 11 23.284 2.210 0.752 0.921 0.900 0.800 CB 1.486 11 residues pruned to eliminate duplicates Z: 7 7.406 1.611 0.208 0.820 1.000 0.667 CB 1.178 8 residues pruned to eliminate duplicates Z: 14 17.975 1.879 0.531 0.855 1.000 0.692 CB 1.279 14 residues pruned to eliminate duplicates Z: 28 21.799 1.897 0.398 0.753 1.000 0.704 CB 1.263 28 residues pruned to eliminate duplicates Z: 11 14.216 1.962 0.394 0.868 0.900 0.900 CA 1.335 11 residues pruned to eliminate duplicates Z: 44 23.049 1.904 0.606 0.596 0.930 0.395 CB 1.127 46 residues pruned to eliminate duplicates Z: 23 39.555 2.090 1.094 0.889 1.000 0.545 CB 1.387 23 residues pruned to eliminate duplicates Z: 13 8.155 1.848 0.422 0.458 0.833 0.500 CA 1.123 13 residues pruned to eliminate duplicates Z: 6 4.518 1.746 0.343 0.872 0.800 0.800 CB 0.785 Z: 74 36.628 1.980 0.737 0.647 0.918 0.452 CB 1.184 74 residues pruned to eliminate duplicates Z: 23 30.693 2.162 0.606 0.878 0.955 0.636 CB 1.433 23 residues pruned to eliminate duplicates Z: 21 37.646 2.096 0.841 0.927 1.000 0.750 CB 1.529 21 residues pruned to eliminate duplicates Z: 22 33.799 1.997 0.895 0.939 1.000 0.667 CB 1.354 22 residues pruned to eliminate duplicates Z: 23 25.044 2.173 0.307 0.905 1.000 0.773 CA 1.338 23 residues pruned to eliminate duplicates Z: 26 20.013 1.838 0.473 0.550 1.000 0.800 CA 1.407 26 residues pruned to eliminate duplicates Z: 25 26.576 2.154 0.416 0.913 0.875 0.417 CB 1.439 25 residues pruned to eliminate duplicates Z: 8 6.263 1.672 0.153 0.614 0.857 0.714 CB 1.286 Z: 12 14.254 1.802 0.540 0.827 1.000 0.727 CA 1.167 11 residues pruned to eliminate duplicates Z: 7 12.719 2.176 0.255 0.831 1.000 0.667 CB 1.429 7 residues pruned to eliminate duplicates Z: 21 34.026 2.055 0.922 0.908 1.000 0.750 CB 1.369 20 residues pruned to eliminate duplicates Z: 7 2.467 1.585 0.160 0.246 0.833 0.500 CB 0.881 Z: 10 10.339 1.784 0.153 0.850 1.000 0.889 CB 1.242 10 residues pruned to eliminate duplicates Z: 6 5.007 1.801 -0.050 0.817 1.000 0.600 CB 0.993 6 residues pruned to eliminate duplicates Z: 23 26.182 2.067 0.619 0.863 0.955 0.545 CB 1.282 23 residues pruned to eliminate duplicates Z: 10 17.913 1.911 0.599 0.899 1.000 0.556 CB 1.397 11 residues pruned to eliminate duplicates Z: 17 18.682 2.014 0.432 0.867 1.000 0.688 CB 1.184 17 residues pruned to eliminate duplicates Z: 10 9.369 1.759 0.660 0.521 0.778 0.333 CA 1.347 9 residues pruned to eliminate duplicates Z: 12 20.142 1.892 0.961 0.760 1.000 0.818 CB 1.299 12 residues pruned to eliminate duplicates Z: 12 20.310 1.950 0.714 0.914 1.000 0.727 CA 1.296 12 residues pruned to eliminate duplicates Z: 6 5.315 1.844 -0.123 0.827 1.000 0.800 CB 1.107 12 residues pruned to eliminate duplicates Z: 6 6.248 1.792 0.204 0.726 0.800 0.600 CB 1.320 6 residues pruned to eliminate duplicates Z: 6 6.222 1.605 0.153 0.718 1.000 0.800 CB 1.235 6 residues pruned to eliminate duplicates Z: 19 16.530 2.133 0.416 0.494 0.889 0.444 CA 1.461 19 residues pruned to eliminate duplicates Z: 6 5.806 1.694 0.328 0.740 0.800 0.400 CB 1.163 6 residues pruned to eliminate duplicates Z: 25 23.638 2.133 0.220 0.888 0.958 0.708 CA 1.394 25 residues pruned to eliminate duplicates Z: 15 22.077 2.047 0.554 0.901 1.000 0.500 CB 1.323 15 residues pruned to eliminate duplicates Z: 8 5.645 1.766 0.316 0.431 1.000 0.571 CA 0.986 Z: 40 22.714 1.932 0.638 0.623 0.821 0.462 CB 1.247 37 residues pruned to eliminate duplicates Z: 8 9.250 1.797 0.734 0.605 0.857 0.571 CB 1.185 8 residues pruned to eliminate duplicates Z: 16 21.032 1.950 0.670 0.859 1.000 0.600 CB 1.227 16 residues pruned to eliminate duplicates Z: 16 10.337 1.821 0.657 0.421 0.733 0.467 CB 1.310 16 residues pruned to eliminate duplicates Z: 10 14.485 2.044 0.663 0.617 1.000 0.667 CA 1.271 10 residues pruned to eliminate duplicates Z: 12 21.019 1.823 0.831 0.876 1.000 0.909 CA 1.380 12 residues pruned to eliminate duplicates Z: 10 15.698 1.899 0.694 0.715 1.000 0.444 CB 1.339 11 residues pruned to eliminate duplicates Z: 25 19.630 1.901 0.742 0.483 0.958 0.583 CA 1.285 25 residues pruned to eliminate duplicates Z: 8 3.681 1.594 0.003 0.473 0.857 0.571 CB 1.042 8 residues pruned to eliminate duplicates Z: 11 13.133 1.785 0.253 0.909 1.000 1.000 CB 1.318 11 residues pruned to eliminate duplicates Z: 8 5.187 1.464 0.156 0.726 0.857 0.714 CB 1.102 Z: 25 20.731 2.038 0.294 0.864 0.958 0.792 CA 1.227 25 residues pruned to eliminate duplicates Z: 14 13.575 1.864 0.610 0.804 0.846 0.692 CB 1.137 14 residues pruned to eliminate duplicates Z: 11 19.139 1.867 0.696 0.895 1.000 0.900 CA 1.371 11 residues pruned to eliminate duplicates Z: 11 13.848 1.785 0.321 0.918 1.000 0.700 CB 1.310 11 residues pruned to eliminate duplicates Z: 6 5.876 1.793 0.365 0.834 0.800 0.600 CB 1.006 6 residues pruned to eliminate duplicates Z: 6 6.031 1.604 0.351 0.709 1.000 0.600 CA 1.030 7 residues pruned to eliminate duplicates Z: 9 6.429 1.675 0.265 0.342 1.000 0.500 CB 1.274 10 residues pruned to eliminate duplicates Z: 77 46.288 2.063 0.642 0.648 0.921 0.487 CB 1.483 77 residues pruned to eliminate duplicates Z: 9 16.071 1.823 0.477 0.881 1.000 0.500 CB 1.528 9 residues pruned to eliminate duplicates Z: 8 4.806 1.640 -0.184 0.902 1.000 0.714 CB 0.968 8 residues pruned to eliminate duplicates Z: 10 10.217 1.710 0.535 0.849 0.889 0.556 CB 1.082 10 residues pruned to eliminate duplicates Z: 8 11.554 1.659 0.336 0.850 1.000 0.714 CB 1.459 8 residues pruned to eliminate duplicates Z: 22 36.231 2.122 0.826 0.943 1.000 0.857 CB 1.413 22 residues pruned to eliminate duplicates Z: 23 39.467 2.131 0.869 0.924 1.000 0.773 CB 1.484 23 residues pruned to eliminate duplicates Z: 19 23.336 2.103 0.842 0.509 0.889 0.556 CA 1.583 19 residues pruned to eliminate duplicates Z: 24 30.039 2.055 0.641 0.896 0.957 0.696 CA 1.390 24 residues pruned to eliminate duplicates Z: 13 13.473 2.026 0.371 0.895 1.000 0.917 CA 1.004 13 residues pruned to eliminate duplicates Z: 9 10.066 1.608 0.558 0.798 0.875 0.500 CB 1.250 9 residues pruned to eliminate duplicates Z: 6 5.560 1.719 0.181 0.817 1.000 0.800 CA 0.930 6 residues pruned to eliminate duplicates Z: 12 23.068 2.036 0.635 0.899 1.000 0.909 CB 1.493 12 residues pruned to eliminate duplicates Z: 14 20.707 1.827 0.840 0.934 1.000 0.769 CB 1.192 14 residues pruned to eliminate duplicates Z: 9 10.110 1.783 0.181 0.874 1.000 0.750 CA 1.235 9 residues pruned to eliminate duplicates Z: 22 17.971 2.033 0.442 0.482 0.905 0.429 CB 1.504 22 residues pruned to eliminate duplicates Z: 12 13.200 1.832 0.538 0.773 0.909 0.727 CB 1.221 12 residues pruned to eliminate duplicates Z: 8 4.755 1.694 0.198 0.306 0.857 0.571 N 1.282 8 residues pruned to eliminate duplicates Z: 11 8.441 1.656 0.281 0.818 1.000 0.700 CB 0.955 11 residues pruned to eliminate duplicates Z: 11 11.066 1.432 0.640 0.853 0.900 0.700 CB 1.223 10 residues pruned to eliminate duplicates Z: 8 2.574 1.530 0.050 0.447 0.714 0.571 CB 0.895 4 residues pruned to eliminate duplicates Z: 23 14.934 1.766 0.339 0.563 0.909 0.591 CA 1.394 31 residues pruned to eliminate duplicates Z: 10 12.984 1.584 0.529 0.872 1.000 0.778 CB 1.302 9 residues pruned to eliminate duplicates Z: 12 23.659 2.047 0.866 0.936 1.000 0.818 CB 1.300 12 residues pruned to eliminate duplicates Z: 19 16.961 1.767 0.565 0.638 0.944 0.667 CB 1.344 19 residues pruned to eliminate duplicates Z: 13 17.810 1.898 0.757 0.890 0.917 0.750 CB 1.210 13 residues pruned to eliminate duplicates Z: 10 22.235 2.283 0.577 0.921 1.000 0.889 CB 1.448 10 residues pruned to eliminate duplicates Z: 26 25.566 1.936 0.616 0.799 0.960 0.840 CB 1.311 39 residues pruned to eliminate duplicates Z: 12 15.845 1.859 0.495 0.799 1.000 1.000 CA 1.323 12 residues pruned to eliminate duplicates Z: 10 3.251 1.574 0.050 0.459 0.667 0.556 CB 1.026 8 residues pruned to eliminate duplicates Z: 16 19.562 1.905 0.597 0.615 1.000 0.400 CB 1.489 16 residues pruned to eliminate duplicates Z: 9 15.349 1.891 0.697 0.733 1.000 0.500 CB 1.372 9 residues pruned to eliminate duplicates Z: 10 24.532 2.193 0.850 0.933 1.000 0.667 CB 1.406 10 residues pruned to eliminate duplicates Z: 24 29.551 2.153 0.722 0.897 0.913 0.609 CB 1.303 24 residues pruned to eliminate duplicates Z: 17 15.259 1.953 0.385 0.828 1.000 0.562 CB 1.062 17 residues pruned to eliminate duplicates Z: 21 11.693 1.806 0.460 0.536 0.850 0.750 CB 1.127 21 residues pruned to eliminate duplicates Z: 11 15.207 1.870 0.794 0.771 0.900 0.700 CB 1.254 11 residues pruned to eliminate duplicates Z: 13 14.137 1.954 0.354 0.852 0.917 0.750 CB 1.245 13 residues pruned to eliminate duplicates Z: 15 5.011 1.618 0.288 0.471 0.857 0.571 CB 0.773 15 residues pruned to eliminate duplicates Z: 15 22.760 1.957 0.872 0.926 1.000 0.929 CB 1.164 15 residues pruned to eliminate duplicates Z: 10 9.291 1.746 0.455 0.895 1.000 0.444 CB 0.874 10 residues pruned to eliminate duplicates Z: 15 12.200 1.755 0.253 0.732 0.929 0.643 CB 1.296 15 residues pruned to eliminate duplicates Z: 8 11.821 1.857 0.419 0.852 1.000 0.571 CB 1.254 8 residues pruned to eliminate duplicates Z: 23 23.308 2.096 0.657 0.873 0.864 0.455 CB 1.207 23 residues pruned to eliminate duplicates Z: 9 9.205 1.728 0.305 0.751 0.875 0.875 CA 1.318 9 residues pruned to eliminate duplicates Z: 26 19.001 1.993 0.640 0.667 0.880 0.400 CB 1.132 26 residues pruned to eliminate duplicates Z: 6 7.006 1.519 0.714 0.663 1.000 0.800 N 1.035 9 residues pruned to eliminate duplicates Z: 14 21.954 2.106 0.621 0.832 1.000 0.923 CA 1.338 14 residues pruned to eliminate duplicates Z: 7 6.616 1.677 0.481 0.894 1.000 1.000 CB 0.780 7 residues pruned to eliminate duplicates 7 1.963 1.596 0.200 0.446 0.500 0.333 CB 0.885 ? Z: 9 14.027 2.007 0.608 0.792 0.750 0.375 CB 1.585 9 residues pruned to eliminate duplicates Z: 9 9.285 1.822 0.272 0.792 1.000 0.625 CB 1.097 9 residues pruned to eliminate duplicates Z: 13 11.525 2.137 0.293 0.849 0.917 0.833 CA 0.974 13 residues pruned to eliminate duplicates Z: 12 7.912 1.805 -0.034 0.665 0.818 0.818 CA 1.435 12 residues pruned to eliminate duplicates Z: 43 26.443 1.976 0.305 0.716 0.976 0.714 CB 1.333 43 residues pruned to eliminate duplicates Z: 25 33.258 2.157 0.670 0.922 0.917 0.417 CB 1.446 25 residues pruned to eliminate duplicates Z: 11 23.115 1.885 0.889 0.918 1.000 0.700 CA 1.448 11 residues pruned to eliminate duplicates Z: 33 27.046 2.023 0.628 0.648 0.906 0.656 CB 1.396 33 residues pruned to eliminate duplicates Z: 13 19.855 1.923 0.927 0.922 0.917 0.583 CB 1.186 Z: 11 10.665 1.805 0.218 0.883 1.000 0.800 CA 1.110 11 residues pruned to eliminate duplicates Z: 13 17.914 1.987 0.480 0.826 1.000 0.833 CA 1.326 13 residues pruned to eliminate duplicates Z: 16 20.772 1.994 0.543 0.908 1.000 0.733 CB 1.238 16 residues pruned to eliminate duplicates Z: 6 7.540 1.653 0.219 0.855 1.000 0.800 O 1.235 6 residues pruned to eliminate duplicates Z: 23 15.106 1.773 0.663 0.547 0.909 0.591 CB 1.147 23 residues pruned to eliminate duplicates Z: 8 12.414 1.933 0.470 0.627 1.000 0.857 CB 1.465 8 residues pruned to eliminate duplicates Z: 33 18.918 1.853 0.368 0.598 0.906 0.594 CB 1.326 33 residues pruned to eliminate duplicates Z: 8 6.881 1.717 0.316 0.823 0.857 0.571 CB 1.015 8 residues pruned to eliminate duplicates Z: 11 22.849 2.003 0.857 0.786 1.000 0.700 CA 1.511 11 residues pruned to eliminate duplicates Z: 6 4.246 1.614 0.403 0.724 1.000 0.600 CA 0.685 6 residues pruned to eliminate duplicates Z: 12 14.704 1.923 0.835 0.816 0.727 0.545 CA 1.313 12 residues pruned to eliminate duplicates Z: 9 3.833 1.714 -0.146 0.512 0.875 0.625 CB 1.046 9 residues pruned to eliminate duplicates Z: 7 3.227 1.814 0.025 0.302 0.667 0.500 CB 1.324 7 residues pruned to eliminate duplicates Z: 8 2.893 1.527 0.308 0.293 0.857 0.571 CB 0.805 8 residues pruned to eliminate duplicates Z: 8 5.391 1.715 0.474 0.409 0.714 0.429 CB 1.241 8 residues pruned to eliminate duplicates Z: 16 12.775 2.038 0.451 0.552 0.800 0.733 CB 1.326 16 residues pruned to eliminate duplicates Z: 45 27.604 1.978 0.610 0.588 0.977 0.636 CB 1.229 45 residues pruned to eliminate duplicates Z: 10 16.754 1.985 0.590 0.807 0.889 0.556 CB 1.523 10 residues pruned to eliminate duplicates Z: 9 6.434 1.849 0.181 0.444 0.875 0.500 CB 1.260 9 residues pruned to eliminate duplicates Z: 12 15.170 1.844 0.584 0.801 1.000 0.727 CA 1.204 12 residues pruned to eliminate duplicates Z: 9 15.613 1.916 0.514 0.761 1.000 0.625 N 1.509 9 residues pruned to eliminate duplicates Z: 34 26.593 1.970 0.551 0.768 0.939 0.727 CB 1.272 34 residues pruned to eliminate duplicates Z: 8 6.741 1.733 0.258 0.364 1.000 0.714 CB 1.352 8 residues pruned to eliminate duplicates Z: 24 26.188 2.111 0.561 0.594 0.957 0.565 CA 1.584 27 residues pruned to eliminate duplicates Z: 14 11.822 1.882 0.422 0.821 0.846 0.615 CA 1.096 14 residues pruned to eliminate duplicates Z: 13 20.697 2.065 1.069 0.915 0.917 0.750 CB 1.078 13 residues pruned to eliminate duplicates Z: 7 4.340 1.494 0.693 0.474 0.833 0.500 CB 0.863 Z: 21 14.472 1.912 0.471 0.523 0.800 0.500 CB 1.405 21 residues pruned to eliminate duplicates Z: 7 14.982 1.963 0.585 0.791 1.000 0.667 CB 1.523 7 residues pruned to eliminate duplicates Z: 26 28.023 2.038 0.512 0.899 1.000 0.680 CB 1.300 26 residues pruned to eliminate duplicates Z: 17 19.457 1.996 0.442 0.881 1.000 0.750 CB 1.224 17 residues pruned to eliminate duplicates Z: 6 2.527 1.338 0.341 0.416 0.800 0.600 CB 0.860 5 residues pruned to eliminate duplicates Z: 23 31.228 2.131 0.728 0.887 0.955 0.636 CB 1.366 23 residues pruned to eliminate duplicates Z: 10 9.845 1.858 0.284 0.890 1.000 0.778 CB 0.990 10 residues pruned to eliminate duplicates Z: 21 31.963 2.109 0.749 0.886 0.950 0.750 CB 1.471 21 residues pruned to eliminate duplicates Z: 13 9.954 1.843 0.509 0.590 0.917 0.583 CA 1.034 13 residues pruned to eliminate duplicates Z: 9 6.611 1.767 -0.107 0.835 1.000 0.625 CB 1.110 9 residues pruned to eliminate duplicates Z: 19 19.021 2.084 0.520 0.512 0.889 0.611 CB 1.573 19 residues pruned to eliminate duplicates Z: 23 21.163 1.926 0.710 0.600 0.864 0.409 CA 1.442 23 residues pruned to eliminate duplicates Z: 6 4.748 1.503 0.338 0.833 0.600 0.600 CA 1.320 7 residues pruned to eliminate duplicates Z: 6 5.670 1.609 0.365 0.828 1.000 0.600 CB 0.869 Z: 6 6.455 1.781 0.440 0.807 0.800 0.600 CB 1.076 6 residues pruned to eliminate duplicates Z: 8 9.064 2.004 0.029 0.872 1.000 0.429 CB 1.211 8 residues pruned to eliminate duplicates Z: 14 21.210 1.945 0.682 0.859 1.000 0.538 CB 1.324 14 residues pruned to eliminate duplicates Z: 10 11.751 1.885 0.302 0.849 1.000 0.889 CA 1.183 10 residues pruned to eliminate duplicates Z: 20 16.973 1.809 0.363 0.610 0.947 0.632 CA 1.501 20 residues pruned to eliminate duplicates Z: 23 20.447 2.080 0.281 0.844 0.909 0.818 CB 1.340 23 residues pruned to eliminate duplicates Z: 21 17.675 1.956 0.341 0.719 1.000 0.750 CA 1.236 21 residues pruned to eliminate duplicates Z: 8 3.076 1.454 0.276 0.383 0.714 0.286 CB 0.994 Z: 13 17.806 1.943 0.480 0.852 1.000 0.500 CA 1.321 13 residues pruned to eliminate duplicates Z: 9 2.724 1.558 0.008 0.232 0.750 0.375 O 1.117 Z: 11 16.964 1.919 0.618 0.841 1.000 0.700 CA 1.289 11 residues pruned to eliminate duplicates Z: 15 19.266 1.901 0.599 0.899 1.000 0.857 CB 1.211 15 residues pruned to eliminate duplicates Z: 11 16.295 1.736 0.909 0.818 0.900 0.300 CB 1.311 11 residues pruned to eliminate duplicates Z: 24 29.351 2.135 0.401 0.900 1.000 0.783 CA 1.462 24 residues pruned to eliminate duplicates Z: 23 22.128 1.982 0.325 0.920 1.000 1.000 CA 1.265 23 residues pruned to eliminate duplicates Z: 7 6.300 1.678 0.679 0.830 0.833 0.333 CB 0.823 7 residues pruned to eliminate duplicates Z: 6 2.528 1.270 0.207 0.383 0.800 0.400 CB 1.045 Z: 16 18.102 1.928 0.383 0.827 1.000 0.733 CB 1.321 16 residues pruned to eliminate duplicates Z: 9 15.758 1.909 0.871 0.813 1.000 0.125 CA 1.188 9 residues pruned to eliminate duplicates Z: 12 21.266 1.948 0.808 0.936 1.000 0.545 CB 1.267 13 residues pruned to eliminate duplicates Z: 8 2.889 1.627 -0.171 0.360 0.714 0.571 CB 1.317 8 residues pruned to eliminate duplicates Z: 26 16.015 2.025 0.387 0.433 0.840 0.400 CA 1.455 26 residues pruned to eliminate duplicates Z: 23 34.624 2.079 1.093 0.891 0.909 0.364 CB 1.341 23 residues pruned to eliminate duplicates Z: 24 30.095 2.105 0.504 0.903 1.000 0.913 CB 1.413 24 residues pruned to eliminate duplicates Z: 9 6.839 1.511 0.325 0.724 0.875 0.625 CB 1.129 9 residues pruned to eliminate duplicates 6 1.612 1.530 -0.252 0.100 1.000 0.600 CB 1.050 ? Z: 6 8.791 1.743 0.709 0.861 1.000 0.600 CA 0.970 6 residues pruned to eliminate duplicates Z: 14 21.273 2.040 0.489 0.902 1.000 0.769 CB 1.385 14 residues pruned to eliminate duplicates Z: 21 13.433 1.880 0.522 0.418 0.850 0.550 CB 1.346 21 residues pruned to eliminate duplicates Z: 13 15.885 1.980 0.398 0.906 1.000 0.917 CA 1.178 13 residues pruned to eliminate duplicates Z: 21 38.321 2.098 1.096 0.936 1.000 0.600 CB 1.357 21 residues pruned to eliminate duplicates Z: 6 3.222 1.438 0.309 0.297 0.800 0.400 CA 1.200 Z: 6 3.157 1.628 0.239 0.468 1.000 0.600 CB 0.723 Z: 11 13.322 1.829 0.188 0.885 1.000 1.000 CA 1.399 11 residues pruned to eliminate duplicates Z: 21 35.056 2.092 1.092 0.940 0.950 0.750 CB 1.309 21 residues pruned to eliminate duplicates Z: 8 8.711 1.710 0.337 0.826 1.000 0.571 CB 1.086 8 residues pruned to eliminate duplicates Z: 9 8.292 1.702 0.270 0.641 1.000 0.375 CB 1.189 9 residues pruned to eliminate duplicates Z: 11 15.836 1.870 0.480 0.868 0.900 0.800 CB 1.469 11 residues pruned to eliminate duplicates Z: 24 16.311 1.876 0.504 0.485 0.783 0.565 CB 1.563 24 residues pruned to eliminate duplicates Z: 7 3.773 1.438 -0.039 0.426 1.000 0.667 N 1.205 Z: 10 12.686 1.804 0.256 0.810 1.000 0.667 CA 1.424 10 residues pruned to eliminate duplicates Z: 8 8.169 1.464 0.429 0.848 1.000 0.714 CB 1.095 9 residues pruned to eliminate duplicates Z: 7 2.238 1.218 0.432 0.372 0.833 0.500 CA 0.720 Z: 9 4.794 1.403 0.608 0.474 0.750 0.500 CB 1.029 Z: 8 4.474 1.558 -0.100 0.602 0.857 0.714 CB 1.277 8 residues pruned to eliminate duplicates Z: 20 31.009 2.053 0.784 0.921 1.000 0.842 CA 1.367 20 residues pruned to eliminate duplicates Z: 14 8.102 1.742 0.366 0.431 0.923 0.769 CA 1.099 13 residues pruned to eliminate duplicates Z: 6 5.050 1.637 0.281 0.490 1.000 0.800 CB 1.088 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 26 29.932 1.954 0.819 0.807 1.000 0.680 CB 1.289 38 residues pruned to eliminate duplicates Z: 13 20.592 1.962 0.791 0.847 1.000 0.833 CB 1.256 Z: 12 20.347 1.985 0.767 0.893 1.000 0.545 CB 1.255 12 residues pruned to eliminate duplicates Z: 15 16.346 1.848 0.772 0.702 0.929 0.500 CB 1.195 15 residues pruned to eliminate duplicates Z: 26 28.565 1.948 0.739 0.801 1.000 0.680 CB 1.296 26 residues pruned to eliminate duplicates Z: 13 22.047 1.959 0.830 0.844 1.000 0.917 CB 1.321 13 residues pruned to eliminate duplicates Z: 13 23.802 1.954 1.130 0.890 0.917 0.833 CB 1.295 14 residues pruned to eliminate duplicates Z: 13 24.502 1.948 1.227 0.914 0.917 0.667 CB 1.257 13 residues pruned to eliminate duplicates Z: 13 20.673 2.015 1.037 0.753 1.000 0.500 CB 1.160 13 residues pruned to eliminate duplicates Z: 14 19.439 1.789 1.188 0.693 1.000 0.538 CB 1.154 14 residues pruned to eliminate duplicates Z: 18 15.441 1.959 0.703 0.565 0.882 0.294 CB 1.195 18 residues pruned to eliminate duplicates Z: 17 13.792 2.048 0.551 0.568 0.812 0.500 CB 1.251 17 residues pruned to eliminate duplicates Z: 14 8.140 1.975 0.335 0.499 0.923 0.385 CB 0.929 14 residues pruned to eliminate duplicates Z: 14 17.421 1.910 0.905 0.638 1.000 0.385 CB 1.168 13 residues pruned to eliminate duplicates Z: 12 18.063 1.889 0.823 0.746 1.000 0.727 CB 1.269 12 residues pruned to eliminate duplicates Z: 17 17.176 2.068 0.645 0.562 0.875 0.562 CB 1.359 18 residues pruned to eliminate duplicates Z: 11 19.711 1.996 1.075 0.733 0.900 0.600 CB 1.356 11 residues pruned to eliminate duplicates Z: 18 16.838 1.971 0.649 0.627 0.882 0.471 CB 1.264 18 residues pruned to eliminate duplicates Z: 18 17.321 1.930 0.740 0.573 0.941 0.588 CB 1.239 18 residues pruned to eliminate duplicates Z: 12 18.074 1.898 0.854 0.808 1.000 0.636 CB 1.184 12 residues pruned to eliminate duplicates Z: 18 17.070 1.943 0.732 0.637 0.882 0.647 CB 1.226 18 residues pruned to eliminate duplicates Z: 19 15.972 1.868 0.716 0.542 0.889 0.611 CB 1.268 19 residues pruned to eliminate duplicates Z: 11 22.022 2.032 1.155 0.774 0.900 0.700 CB 1.387 11 residues pruned to eliminate duplicates Z: 11 22.115 2.023 0.940 0.750 1.000 0.600 CA 1.425 11 residues pruned to eliminate duplicates Z: 12 10.351 1.544 0.604 0.587 0.909 0.364 CB 1.276 11 residues pruned to eliminate duplicates Z: 12 9.109 1.759 0.149 0.612 0.909 0.455 CB 1.343 11 residues pruned to eliminate duplicates Z: 10 16.272 1.762 0.657 0.794 1.000 0.667 CB 1.436 11 residues pruned to eliminate duplicates Z: 9 13.598 1.746 0.371 0.893 1.000 0.625 CB 1.441 9 residues pruned to eliminate duplicates Z: 11 7.899 1.521 0.408 0.545 1.000 0.400 O 1.117 11 residues pruned to eliminate duplicates Z: 14 8.558 1.578 0.439 0.592 0.923 0.462 CB 1.037 14 residues pruned to eliminate duplicates Z: 12 12.150 1.649 0.672 0.685 0.909 0.545 CB 1.233 12 residues pruned to eliminate duplicates Z: 12 12.293 1.673 0.700 0.723 0.909 0.545 CB 1.171 12 residues pruned to eliminate duplicates Z: 12 11.054 1.654 0.575 0.695 0.909 0.545 CB 1.177 12 residues pruned to eliminate duplicates Z: 13 9.141 1.575 0.537 0.647 0.917 0.417 CB 1.037 13 residues pruned to eliminate duplicates Z: 13 10.307 1.773 0.449 0.432 1.000 0.500 CB 1.242 14 residues pruned to eliminate duplicates Z: 6 5.208 1.544 0.538 0.473 1.000 0.800 CA 1.008 6 residues pruned to eliminate duplicates Z: 13 9.341 1.774 0.485 0.402 0.917 0.500 CB 1.238 13 residues pruned to eliminate duplicates Z: 14 7.756 1.655 0.361 0.416 0.923 0.692 CB 1.130 15 residues pruned to eliminate duplicates Z: 8 9.528 1.686 0.673 0.526 1.000 0.714 CB 1.244 8 residues pruned to eliminate duplicates Z: 6 6.260 1.531 0.304 0.811 1.000 0.400 CA 1.069 Z: 10 12.627 2.064 0.492 0.645 0.889 0.333 CA 1.343 10 residues pruned to eliminate duplicates Z: 24 20.679 2.063 0.550 0.541 0.870 0.478 CA 1.490 24 residues pruned to eliminate duplicates Z: 21 19.559 2.117 0.509 0.512 0.900 0.500 CB 1.503 22 residues pruned to eliminate duplicates Z: 8 10.988 1.981 0.551 0.784 1.000 0.571 CA 1.053 8 residues pruned to eliminate duplicates Z: 19 20.372 2.111 0.638 0.511 0.889 0.556 CB 1.545 19 residues pruned to eliminate duplicates Z: 18 22.862 2.133 0.592 0.541 1.000 0.412 CA 1.569 18 residues pruned to eliminate duplicates Z: 25 23.721 2.049 0.710 0.517 0.875 0.458 CB 1.553 25 residues pruned to eliminate duplicates Z: 25 22.820 2.014 0.665 0.487 0.917 0.458 CA 1.535 25 residues pruned to eliminate duplicates Z: 23 21.173 2.075 0.755 0.457 0.864 0.318 CB 1.499 23 residues pruned to eliminate duplicates Z: 10 4.879 1.828 0.350 0.491 0.556 0.222 CA 1.197 10 residues pruned to eliminate duplicates Z: 26 22.661 2.047 0.632 0.512 0.840 0.440 CB 1.595 25 residues pruned to eliminate duplicates Z: 13 23.398 1.936 0.736 0.934 1.000 1.000 CB 1.402 13 residues pruned to eliminate duplicates Z: 12 21.429 2.041 0.560 0.924 1.000 0.909 CB 1.425 12 residues pruned to eliminate duplicates Z: 12 24.445 1.978 0.726 0.911 1.000 0.909 CB 1.529 12 residues pruned to eliminate duplicates Z: 11 23.111 2.109 0.608 0.921 1.000 1.000 CB 1.516 11 residues pruned to eliminate duplicates Z: 13 19.493 1.931 0.501 0.927 1.000 0.833 CB 1.360 13 residues pruned to eliminate duplicates Z: 12 20.752 2.018 0.458 0.923 1.000 0.909 CA 1.494 12 residues pruned to eliminate duplicates Z: 11 22.943 2.067 0.650 0.897 1.000 0.700 CB 1.523 11 residues pruned to eliminate duplicates Z: 13 13.616 1.960 0.402 0.745 0.833 0.667 CA 1.379 13 residues pruned to eliminate duplicates Z: 11 19.158 2.075 0.577 0.776 0.900 0.800 CA 1.612 11 residues pruned to eliminate duplicates Z: 38 24.748 1.851 0.403 0.612 1.000 0.811 CA 1.409 38 residues pruned to eliminate duplicates Z: 11 18.483 2.033 0.514 0.794 1.000 0.800 CA 1.467 11 residues pruned to eliminate duplicates Z: 27 16.319 1.784 0.424 0.489 0.923 0.654 CA 1.379 27 residues pruned to eliminate duplicates Z: 37 24.781 1.885 0.427 0.572 0.972 0.806 CA 1.474 37 residues pruned to eliminate duplicates Z: 26 17.462 1.791 0.379 0.497 0.960 0.680 CA 1.478 26 residues pruned to eliminate duplicates Z: 28 18.228 1.771 0.364 0.524 1.000 0.778 CA 1.418 26 residues pruned to eliminate duplicates Z: 6 3.599 1.459 0.499 0.446 0.800 0.400 CA 0.973 6 residues pruned to eliminate duplicates Z: 26 19.905 1.861 0.390 0.583 1.000 0.760 CA 1.421 28 residues pruned to eliminate duplicates Z: 13 15.094 1.757 0.626 0.739 0.917 0.667 CB 1.343 13 residues pruned to eliminate duplicates Z: 17 18.456 1.840 0.563 0.653 0.938 0.938 CA 1.485 17 residues pruned to eliminate duplicates Z: 19 18.002 1.870 0.516 0.648 0.889 0.722 CA 1.467 19 residues pruned to eliminate duplicates Z: 26 17.351 1.833 0.344 0.515 0.960 0.600 CA 1.445 26 residues pruned to eliminate duplicates Z: 20 15.875 1.823 0.386 0.618 0.947 0.684 CA 1.360 20 residues pruned to eliminate duplicates Z: 26 18.119 1.837 0.374 0.550 0.960 0.720 CA 1.424 26 residues pruned to eliminate duplicates Z: 29 22.028 1.882 0.369 0.623 0.964 0.679 CA 1.492 29 residues pruned to eliminate duplicates Z: 26 17.049 1.830 0.377 0.515 0.920 0.680 CA 1.448 26 residues pruned to eliminate duplicates Z: 19 13.835 1.811 0.313 0.564 0.944 0.556 CA 1.366 19 residues pruned to eliminate duplicates Z: 26 16.811 1.835 0.356 0.499 0.960 0.480 CA 1.408 26 residues pruned to eliminate duplicates Z: 12 6.592 1.667 0.237 0.340 0.909 0.455 N 1.264 12 residues pruned to eliminate duplicates Z: 13 14.897 1.734 0.530 0.824 1.000 0.917 CA 1.225 13 residues pruned to eliminate duplicates Z: 9 6.629 1.778 0.367 0.340 1.000 0.875 CA 1.148 9 residues pruned to eliminate duplicates Z: 16 6.501 1.643 0.174 0.264 0.867 0.400 N 1.313 16 residues pruned to eliminate duplicates Z: 8 7.130 1.839 0.182 0.380 1.000 0.429 N 1.409 8 residues pruned to eliminate duplicates Z: 11 6.224 1.670 0.099 0.424 0.900 0.700 CA 1.289 11 residues pruned to eliminate duplicates Z: 16 7.080 1.633 0.053 0.433 0.867 0.467 CB 1.315 9 residues pruned to eliminate duplicates Z: 6 4.019 1.709 0.404 0.291 0.800 0.400 CA 1.183 6 residues pruned to eliminate duplicates Z: 26 15.001 1.884 0.342 0.474 0.960 0.560 CB 1.269 26 residues pruned to eliminate duplicates Z: 6 5.348 1.416 0.517 0.811 1.000 1.000 CB 0.849 6 residues pruned to eliminate duplicates Z: 23 16.969 1.975 0.381 0.549 0.955 0.727 CB 1.325 24 residues pruned to eliminate duplicates Z: 11 19.922 1.993 0.513 0.764 1.000 0.600 CB 1.652 11 residues pruned to eliminate duplicates Z: 12 16.493 1.829 0.741 0.638 0.909 0.636 CA 1.509 12 residues pruned to eliminate duplicates Z: 14 11.891 1.893 0.262 0.597 0.923 0.692 CB 1.363 14 residues pruned to eliminate duplicates Z: 13 12.669 1.936 0.228 0.648 1.000 0.667 CB 1.341 13 residues pruned to eliminate duplicates Z: 14 15.054 1.905 0.414 0.610 1.000 0.538 CB 1.396 14 residues pruned to eliminate duplicates Z: 26 15.188 1.876 0.576 0.461 0.880 0.640 CB 1.214 26 residues pruned to eliminate duplicates Z: 14 14.481 1.909 0.525 0.612 1.000 0.538 CB 1.240 14 residues pruned to eliminate duplicates Z: 15 14.617 1.858 0.543 0.576 0.929 0.429 CB 1.363 14 residues pruned to eliminate duplicates Z: 8 20.223 1.839 1.004 0.867 1.000 0.429 CB 1.518 8 residues pruned to eliminate duplicates Z: 10 19.334 1.969 0.540 0.856 1.000 0.444 CB 1.567 10 residues pruned to eliminate duplicates Z: 21 19.135 1.998 0.727 0.637 0.900 0.600 CB 1.212 15 residues pruned to eliminate duplicates Z: 18 22.415 2.037 0.633 0.780 1.000 0.529 CB 1.277 18 residues pruned to eliminate duplicates Z: 23 15.387 1.956 0.526 0.561 0.955 0.636 CB 1.085 21 residues pruned to eliminate duplicates Z: 15 19.696 1.999 0.890 0.840 0.929 0.571 CB 1.120 15 residues pruned to eliminate duplicates Z: 17 21.709 2.092 0.698 0.731 0.938 0.250 CB 1.324 17 residues pruned to eliminate duplicates Z: 14 28.299 2.091 1.006 0.884 1.000 0.615 CB 1.352 22 residues pruned to eliminate duplicates Z: 14 18.690 2.025 0.825 0.892 0.846 0.231 CB 1.191 14 residues pruned to eliminate duplicates Z: 17 13.894 2.105 0.599 0.736 0.750 0.375 CB 1.113 17 residues pruned to eliminate duplicates Z: 41 20.314 1.920 0.600 0.542 0.900 0.525 CB 1.115 41 residues pruned to eliminate duplicates Z: 26 18.678 1.851 0.678 0.619 0.880 0.560 CB 1.221 26 residues pruned to eliminate duplicates Z: 18 18.952 1.992 1.022 0.668 0.824 0.176 CB 1.186 18 residues pruned to eliminate duplicates Z: 43 19.252 1.861 0.597 0.475 0.857 0.381 CB 1.196 36 residues pruned to eliminate duplicates Z: 15 24.278 1.960 1.103 0.844 1.000 0.214 CB 1.171 15 residues pruned to eliminate duplicates Z: 38 19.617 1.880 0.639 0.594 0.892 0.378 CB 1.072 38 residues pruned to eliminate duplicates Z: 29 23.222 2.013 0.763 0.621 0.893 0.429 CB 1.236 29 residues pruned to eliminate duplicates Z: 41 24.562 1.884 0.707 0.591 0.925 0.400 CB 1.196 41 residues pruned to eliminate duplicates Z: 17 21.452 2.082 0.843 0.732 0.938 0.375 CB 1.210 17 residues pruned to eliminate duplicates Z: 35 23.888 1.953 0.768 0.566 0.912 0.294 CB 1.221 35 residues pruned to eliminate duplicates Z: 31 24.706 2.012 0.759 0.620 0.933 0.500 CB 1.220 36 residues pruned to eliminate duplicates Z: 6 3.988 1.311 0.671 0.400 1.000 0.600 CA 0.905 6 residues pruned to eliminate duplicates Z: 32 20.287 1.962 0.751 0.546 0.871 0.452 CB 1.164 32 residues pruned to eliminate duplicates Z: 36 25.373 1.986 0.757 0.585 0.914 0.514 CB 1.239 36 residues pruned to eliminate duplicates Z: 12 8.925 1.647 0.385 0.678 1.000 0.909 CB 1.001 12 residues pruned to eliminate duplicates Z: 14 9.627 1.732 0.361 0.615 0.923 0.692 CB 1.100 14 residues pruned to eliminate duplicates Z: 39 22.857 1.905 0.613 0.612 0.921 0.553 CB 1.178 40 residues pruned to eliminate duplicates Z: 11 8.151 1.727 0.375 0.725 0.800 0.200 CA 1.108 11 residues pruned to eliminate duplicates Z: 37 22.716 1.908 0.685 0.641 0.917 0.444 CB 1.126 37 residues pruned to eliminate duplicates Z: 43 23.173 1.946 0.526 0.572 0.905 0.476 CB 1.241 43 residues pruned to eliminate duplicates Z: 28 17.483 1.795 0.670 0.646 0.815 0.519 CB 1.202 28 residues pruned to eliminate duplicates Z: 35 22.322 1.930 0.606 0.686 0.912 0.382 CB 1.142 35 residues pruned to eliminate duplicates Z: 44 22.161 1.921 0.534 0.594 0.953 0.442 CB 1.098 44 residues pruned to eliminate duplicates Z: 13 7.710 1.770 0.347 0.439 0.833 0.417 CB 1.193 13 residues pruned to eliminate duplicates Z: 13 6.963 1.647 0.357 0.375 0.917 0.333 CB 1.120 13 residues pruned to eliminate duplicates Z: 42 24.859 1.940 0.692 0.607 0.927 0.512 CB 1.153 42 residues pruned to eliminate duplicates Z: 34 18.494 1.825 0.523 0.531 0.879 0.485 CB 1.278 34 residues pruned to eliminate duplicates Z: 10 6.586 1.740 0.377 0.290 1.000 0.667 CB 1.160 10 residues pruned to eliminate duplicates Z: 10 6.105 1.750 0.304 0.370 0.889 0.444 CB 1.153 10 residues pruned to eliminate duplicates Z: 10 9.195 1.746 0.511 0.460 1.000 0.667 CB 1.209 10 residues pruned to eliminate duplicates Z: 10 8.508 1.767 0.348 0.562 1.000 0.667 CB 1.121 10 residues pruned to eliminate duplicates Z: 10 6.813 1.735 0.342 0.340 0.889 0.667 CB 1.306 10 residues pruned to eliminate duplicates Z: 11 18.614 1.966 0.645 0.666 1.000 0.400 CA 1.560 11 residues pruned to eliminate duplicates Z: 22 21.684 2.047 0.621 0.472 0.905 0.476 CB 1.620 22 residues pruned to eliminate duplicates Z: 21 18.740 2.086 0.557 0.459 0.900 0.400 CA 1.495 21 residues pruned to eliminate duplicates Z: 22 17.004 2.037 0.775 0.449 0.762 0.381 CA 1.418 22 residues pruned to eliminate duplicates Z: 20 20.175 2.159 0.683 0.566 0.789 0.474 CA 1.513 20 residues pruned to eliminate duplicates Z: 18 22.401 2.250 0.645 0.531 0.941 0.412 CA 1.513 18 residues pruned to eliminate duplicates Z: 56 38.437 2.036 0.610 0.688 0.945 0.673 CA 1.408 56 residues pruned to eliminate duplicates Z: 26 19.678 2.038 0.569 0.482 0.880 0.600 CA 1.424 26 residues pruned to eliminate duplicates Z: 19 23.614 2.053 0.753 0.578 0.944 0.667 CA 1.518 19 residues pruned to eliminate duplicates Z: 24 19.486 2.078 0.497 0.538 0.826 0.391 CA 1.524 16 residues pruned to eliminate duplicates Z: 9 7.579 1.912 0.105 0.767 1.000 0.875 CB 1.001 9 residues pruned to eliminate duplicates Z: 49 34.583 2.040 0.561 0.700 0.938 0.625 CB 1.393 49 residues pruned to eliminate duplicates Z: 78 42.721 2.037 0.564 0.638 0.922 0.584 CA 1.456 78 residues pruned to eliminate duplicates Z: 47 35.129 2.058 0.516 0.701 0.978 0.609 CB 1.413 47 residues pruned to eliminate duplicates Z: 48 37.587 2.067 0.564 0.706 0.957 0.596 CA 1.468 48 residues pruned to eliminate duplicates Z: 47 34.738 2.046 0.511 0.688 0.978 0.739 CB 1.426 47 residues pruned to eliminate duplicates Z: 44 31.051 2.049 0.564 0.654 0.930 0.674 CA 1.376 44 residues pruned to eliminate duplicates Z: 48 35.944 2.033 0.572 0.677 1.000 0.745 CA 1.394 48 residues pruned to eliminate duplicates Z: 47 31.178 2.065 0.421 0.695 0.935 0.761 CB 1.402 47 residues pruned to eliminate duplicates Z: 71 39.811 2.018 0.580 0.605 0.957 0.543 CB 1.412 71 residues pruned to eliminate duplicates Z: 52 41.528 1.997 0.738 0.668 0.980 0.608 CA 1.463 52 residues pruned to eliminate duplicates Z: 56 42.454 2.023 0.667 0.736 0.945 0.618 CB 1.453 56 residues pruned to eliminate duplicates Z: 24 17.520 1.900 0.559 0.497 0.913 0.696 CA 1.356 24 residues pruned to eliminate duplicates Z: 55 44.411 2.039 0.661 0.740 0.963 0.704 CA 1.494 55 residues pruned to eliminate duplicates Z: 37 27.281 2.014 0.553 0.632 0.889 0.722 CB 1.445 37 residues pruned to eliminate duplicates Z: 48 34.688 2.034 0.626 0.700 0.936 0.596 CB 1.362 48 residues pruned to eliminate duplicates Z: 36 22.605 1.963 0.492 0.584 0.914 0.629 CB 1.316 36 residues pruned to eliminate duplicates Z: 47 36.605 2.039 0.632 0.703 0.978 0.717 CB 1.379 47 residues pruned to eliminate duplicates Z: 45 31.886 2.085 0.407 0.732 0.932 0.705 CB 1.428 45 residues pruned to eliminate duplicates Z: 64 40.765 2.076 0.628 0.606 0.905 0.635 CA 1.518 64 residues pruned to eliminate duplicates Z: 49 30.892 2.016 0.456 0.677 0.938 0.729 CA 1.377 49 residues pruned to eliminate duplicates Z: 47 34.723 2.071 0.527 0.710 0.935 0.652 CB 1.431 47 residues pruned to eliminate duplicates Z: 48 36.185 2.046 0.648 0.697 0.936 0.723 CA 1.397 48 residues pruned to eliminate duplicates Z: 56 38.056 2.021 0.611 0.684 0.927 0.564 CA 1.436 56 residues pruned to eliminate duplicates Z: 47 32.048 2.034 0.453 0.686 0.957 0.674 CB 1.409 47 residues pruned to eliminate duplicates Z: 58 39.770 1.996 0.638 0.694 0.965 0.684 CA 1.399 58 residues pruned to eliminate duplicates Z: 79 40.606 2.018 0.561 0.608 0.923 0.603 CA 1.427 79 residues pruned to eliminate duplicates Z: 45 36.122 2.082 0.464 0.753 0.977 0.750 CA 1.459 45 residues pruned to eliminate duplicates Z: 29 33.362 2.139 0.562 0.795 1.000 0.536 CA 1.457 29 residues pruned to eliminate duplicates Z: 53 37.027 1.930 0.685 0.658 0.981 0.615 CA 1.391 53 residues pruned to eliminate duplicates Z: 19 24.450 2.090 0.585 0.721 1.000 0.611 CA 1.424 19 residues pruned to eliminate duplicates Z: 55 33.249 2.087 0.591 0.555 0.852 0.519 CB 1.517 55 residues pruned to eliminate duplicates Z: 50 35.626 2.022 0.607 0.675 0.959 0.592 CB 1.389 50 residues pruned to eliminate duplicates Z: 20 26.145 2.069 0.750 0.724 0.947 0.632 CA 1.429 20 residues pruned to eliminate duplicates Z: 30 31.609 2.112 0.607 0.800 0.966 0.586 CB 1.377 30 residues pruned to eliminate duplicates Z: 57 41.874 2.022 0.696 0.719 0.929 0.518 CB 1.441 57 residues pruned to eliminate duplicates Z: 47 35.003 2.066 0.553 0.708 0.935 0.587 CB 1.424 47 residues pruned to eliminate duplicates Z: 49 34.368 2.031 0.504 0.688 0.958 0.542 CB 1.427 49 residues pruned to eliminate duplicates Z: 47 33.905 2.038 0.548 0.690 0.957 0.457 CB 1.392 47 residues pruned to eliminate duplicates Z: 71 40.160 2.067 0.554 0.611 0.900 0.500 CB 1.494 71 residues pruned to eliminate duplicates Z: 40 40.280 2.033 0.762 0.783 0.949 0.564 CA 1.480 40 residues pruned to eliminate duplicates Z: 29 30.703 2.033 0.664 0.766 0.929 0.536 CA 1.459 29 residues pruned to eliminate duplicates Z: 42 36.580 1.997 0.700 0.748 0.927 0.439 CB 1.455 42 residues pruned to eliminate duplicates Z: 57 40.313 2.013 0.695 0.698 0.946 0.464 CB 1.392 57 residues pruned to eliminate duplicates Z: 23 28.222 1.918 0.957 0.770 0.909 0.500 CB 1.389 23 residues pruned to eliminate duplicates Z: 26 26.237 1.908 0.748 0.799 1.000 0.800 CB 1.211 38 residues pruned to eliminate duplicates Z: 27 29.312 1.870 0.946 0.772 0.962 0.731 CB 1.292 27 residues pruned to eliminate duplicates Z: 14 15.471 1.769 0.816 0.732 0.846 0.385 CB 1.281 14 residues pruned to eliminate duplicates Z: 16 18.511 1.711 0.926 0.702 1.000 0.333 CB 1.207 16 residues pruned to eliminate duplicates Z: 16 14.286 1.711 0.602 0.633 0.867 0.533 CB 1.370 16 residues pruned to eliminate duplicates Z: 12 7.256 1.740 0.497 0.414 0.818 0.364 CB 1.123 4 residues pruned to eliminate duplicates Z: 17 12.157 1.719 0.529 0.629 0.938 0.562 CA 1.092 17 residues pruned to eliminate duplicates Z: 23 14.352 1.780 0.460 0.551 0.955 0.545 CB 1.174 22 residues pruned to eliminate duplicates Z: 12 14.162 1.895 0.725 0.764 0.909 0.545 CA 1.137 12 residues pruned to eliminate duplicates Z: 25 12.292 1.673 0.448 0.496 0.958 0.500 CB 1.085 25 residues pruned to eliminate duplicates Z: 20 11.501 1.770 0.427 0.517 0.895 0.474 CB 1.148 20 residues pruned to eliminate duplicates Z: 19 13.884 1.825 0.560 0.545 0.889 0.722 CB 1.238 19 residues pruned to eliminate duplicates Z: 23 11.710 1.739 0.541 0.469 0.864 0.545 CB 1.113 23 residues pruned to eliminate duplicates Z: 19 15.357 1.827 0.594 0.549 1.000 0.500 CA 1.185 27 residues pruned to eliminate duplicates Z: 13 14.549 1.758 0.759 0.716 1.000 0.250 CA 1.117 14 residues pruned to eliminate duplicates Z: 12 15.704 1.865 0.743 0.736 0.909 0.273 CB 1.296 12 residues pruned to eliminate duplicates Z: 20 12.489 1.778 0.479 0.538 0.895 0.526 CA 1.173 20 residues pruned to eliminate duplicates Z: 22 10.046 1.693 0.554 0.553 0.762 0.333 CB 1.039 22 residues pruned to eliminate duplicates Z: 42 25.129 2.015 0.372 0.672 0.927 0.561 CB 1.307 42 residues pruned to eliminate duplicates Z: 101 44.735 2.023 0.504 0.672 0.920 0.680 CB 1.363 101 residues pruned to eliminate duplicates Z: 42 30.041 1.998 0.471 0.743 0.976 0.585 CB 1.316 49 residues pruned to eliminate duplicates Z: 10 8.090 1.789 0.134 0.865 0.889 0.778 CA 1.096 9 residues pruned to eliminate duplicates Z: 8 10.668 1.870 0.227 0.864 1.000 0.857 CB 1.289 8 residues pruned to eliminate duplicates Z: 42 30.736 2.026 0.522 0.690 0.927 0.585 CB 1.412 42 residues pruned to eliminate duplicates Z: 17 15.704 1.859 0.340 0.664 1.000 0.625 CB 1.354 17 residues pruned to eliminate duplicates Z: 40 30.828 2.041 0.345 0.726 1.000 0.718 CB 1.466 40 residues pruned to eliminate duplicates Z: 41 31.320 2.038 0.424 0.703 0.975 0.650 CB 1.455 41 residues pruned to eliminate duplicates Z: 43 29.895 2.033 0.395 0.683 0.976 0.690 CB 1.408 43 residues pruned to eliminate duplicates Z: 43 25.832 2.009 0.301 0.652 0.976 0.619 CB 1.356 43 residues pruned to eliminate duplicates Z: 37 28.392 2.030 0.403 0.705 0.972 0.528 CB 1.418 37 residues pruned to eliminate duplicates Z: 21 12.105 1.767 0.186 0.541 0.900 0.600 CA 1.379 21 residues pruned to eliminate duplicates Z: 75 40.474 2.036 0.474 0.709 0.932 0.608 CB 1.391 75 residues pruned to eliminate duplicates Z: 40 26.851 2.041 0.342 0.690 0.923 0.538 CB 1.429 40 residues pruned to eliminate duplicates Z: 43 25.892 2.024 0.346 0.642 0.881 0.405 CB 1.458 43 residues pruned to eliminate duplicates Z: 40 29.661 2.031 0.420 0.691 0.949 0.615 CB 1.458 40 residues pruned to eliminate duplicates Z: 44 30.804 2.014 0.482 0.652 0.953 0.605 CB 1.433 44 residues pruned to eliminate duplicates Z: 42 30.452 2.043 0.372 0.689 0.976 0.707 CB 1.463 42 residues pruned to eliminate duplicates Z: 30 25.296 2.058 0.429 0.690 0.966 0.621 CB 1.391 30 residues pruned to eliminate duplicates Z: 41 28.802 2.044 0.291 0.722 0.975 0.675 CB 1.449 41 residues pruned to eliminate duplicates Z: 43 31.664 2.041 0.405 0.717 0.976 0.714 CB 1.434 43 residues pruned to eliminate duplicates Z: 41 29.152 2.041 0.370 0.660 0.925 0.600 CB 1.535 41 residues pruned to eliminate duplicates Z: 41 33.208 2.048 0.512 0.668 0.975 0.575 CB 1.490 42 residues pruned to eliminate duplicates Z: 24 29.830 2.143 0.573 0.868 0.913 0.565 CA 1.477 24 residues pruned to eliminate duplicates Z: 43 28.532 2.006 0.450 0.660 0.929 0.452 CB 1.405 42 residues pruned to eliminate duplicates Z: 26 27.970 2.046 0.528 0.886 1.000 0.760 CB 1.291 26 residues pruned to eliminate duplicates Z: 39 28.789 2.043 0.341 0.679 0.947 0.605 CB 1.526 39 residues pruned to eliminate duplicates Z: 37 29.222 2.014 0.438 0.678 0.972 0.639 CB 1.468 37 residues pruned to eliminate duplicates Z: 41 28.754 2.026 0.352 0.671 0.950 0.725 CB 1.491 41 residues pruned to eliminate duplicates Z: 33 23.746 2.035 0.360 0.643 0.938 0.750 CB 1.415 33 residues pruned to eliminate duplicates Z: 45 29.461 1.960 0.439 0.670 0.932 0.727 CB 1.444 45 residues pruned to eliminate duplicates Z: 38 30.833 2.046 0.426 0.673 0.973 0.676 CB 1.522 38 residues pruned to eliminate duplicates Z: 30 28.038 2.047 0.491 0.753 0.966 0.552 CB 1.410 30 residues pruned to eliminate duplicates Z: 25 24.731 2.160 0.488 0.763 0.875 0.542 CB 1.422 25 residues pruned to eliminate duplicates Z: 40 31.358 2.040 0.393 0.712 0.974 0.641 CB 1.497 40 residues pruned to eliminate duplicates Z: 43 27.745 2.001 0.405 0.661 0.929 0.595 CB 1.412 43 residues pruned to eliminate duplicates Z: 43 28.665 2.024 0.373 0.674 0.929 0.595 CB 1.460 43 residues pruned to eliminate duplicates Z: 43 27.630 2.028 0.330 0.675 0.952 0.667 CB 1.413 43 residues pruned to eliminate duplicates Z: 45 28.145 1.946 0.360 0.677 0.955 0.568 CB 1.427 45 residues pruned to eliminate duplicates Z: 67 40.512 2.015 0.601 0.703 0.909 0.667 CB 1.413 67 residues pruned to eliminate duplicates Z: 74 40.404 2.022 0.530 0.690 0.918 0.616 CB 1.399 74 residues pruned to eliminate duplicates Z: 62 37.032 2.056 0.413 0.716 0.934 0.656 CB 1.436 62 residues pruned to eliminate duplicates Z: 27 29.560 2.065 0.899 0.766 0.846 0.692 CB 1.380 27 residues pruned to eliminate duplicates Z: 34 28.308 2.069 0.651 0.734 0.909 0.636 CB 1.286 34 residues pruned to eliminate duplicates Z: 43 33.220 2.074 0.621 0.766 0.952 0.595 CB 1.265 43 residues pruned to eliminate duplicates Z: 36 30.530 2.045 0.670 0.726 1.000 0.571 CB 1.233 36 residues pruned to eliminate duplicates Z: 32 30.976 2.016 0.730 0.749 0.968 0.581 CB 1.319 32 residues pruned to eliminate duplicates Z: 71 34.240 1.986 0.574 0.606 0.871 0.457 CB 1.359 71 residues pruned to eliminate duplicates Z: 18 31.803 2.212 0.987 0.820 0.882 0.353 CB 1.507 18 residues pruned to eliminate duplicates Z: 71 44.204 2.026 0.671 0.703 0.957 0.486 CB 1.355 71 residues pruned to eliminate duplicates Z: 30 32.101 2.080 0.783 0.749 0.931 0.414 CB 1.383 30 residues pruned to eliminate duplicates Z: 21 37.808 2.173 0.975 0.880 0.950 0.550 CB 1.502 21 residues pruned to eliminate duplicates Z: 34 28.383 2.025 0.776 0.784 0.879 0.394 CB 1.217 34 residues pruned to eliminate duplicates Z: 43 36.417 2.064 0.775 0.764 0.952 0.524 CB 1.274 43 residues pruned to eliminate duplicates Z: 83 47.046 2.052 0.599 0.715 0.951 0.524 CB 1.371 83 residues pruned to eliminate duplicates Z: 51 44.984 2.088 0.796 0.747 0.940 0.480 CB 1.447 51 residues pruned to eliminate duplicates Z: 67 37.428 2.020 0.604 0.693 0.939 0.561 CB 1.269 67 residues pruned to eliminate duplicates Z: 25 33.271 2.111 1.080 0.809 0.917 0.333 CB 1.290 25 residues pruned to eliminate duplicates Z: 26 36.535 2.111 0.963 0.825 0.960 0.600 CB 1.387 26 residues pruned to eliminate duplicates Z: 45 32.866 2.011 0.795 0.743 0.932 0.409 CB 1.184 45 residues pruned to eliminate duplicates Z: 33 27.742 2.029 0.834 0.697 0.875 0.250 CB 1.258 33 residues pruned to eliminate duplicates Z: 71 40.752 1.964 0.663 0.664 0.943 0.514 CB 1.360 71 residues pruned to eliminate duplicates Z: 37 27.593 1.958 0.871 0.704 0.861 0.361 CB 1.211 37 residues pruned to eliminate duplicates Z: 31 33.056 2.096 0.848 0.779 0.900 0.433 CB 1.353 31 residues pruned to eliminate duplicates Z: 80 44.348 2.050 0.560 0.691 0.937 0.544 CB 1.399 80 residues pruned to eliminate duplicates Z: 31 28.993 2.063 0.796 0.713 0.867 0.400 CB 1.358 31 residues pruned to eliminate duplicates Z: 6 4.130 1.877 0.258 0.432 0.800 0.200 CB 1.049 6 residues pruned to eliminate duplicates Z: 30 25.780 2.081 0.643 0.628 0.931 0.655 CB 1.334 30 residues pruned to eliminate duplicates Z: 53 42.746 2.108 0.739 0.670 0.962 0.558 CB 1.437 53 residues pruned to eliminate duplicates Z: 20 14.110 1.929 0.505 0.561 0.895 0.684 CB 1.175 20 residues pruned to eliminate duplicates Z: 41 37.556 2.080 0.849 0.721 0.925 0.525 CB 1.367 41 residues pruned to eliminate duplicates Z: 45 21.820 1.943 0.424 0.575 0.886 0.477 CB 1.248 45 residues pruned to eliminate duplicates Z: 18 12.409 1.976 0.386 0.564 0.941 0.706 CB 1.097 18 residues pruned to eliminate duplicates Z: 60 27.262 1.938 0.391 0.605 0.932 0.627 CB 1.278 58 residues pruned to eliminate duplicates Z: 11 18.251 2.143 0.486 0.894 1.000 0.900 CB 1.301 11 residues pruned to eliminate duplicates Z: 66 25.779 1.919 0.410 0.525 0.892 0.631 CB 1.292 66 residues pruned to eliminate duplicates Z: 68 40.234 2.019 0.802 0.646 0.925 0.373 CB 1.274 68 residues pruned to eliminate duplicates Z: 51 36.993 2.006 0.924 0.636 0.860 0.280 CB 1.388 51 residues pruned to eliminate duplicates Z: 46 28.758 1.976 0.571 0.563 0.956 0.578 CB 1.361 46 residues pruned to eliminate duplicates Z: 44 28.488 1.990 0.505 0.620 0.930 0.628 CB 1.393 44 residues pruned to eliminate duplicates Z: 85 44.072 2.019 0.653 0.669 0.940 0.583 CB 1.311 92 residues pruned to eliminate duplicates Z: 15 20.234 2.069 0.388 0.731 1.000 0.857 CA 1.529 15 residues pruned to eliminate duplicates Z: 27 21.058 1.946 0.576 0.642 0.923 0.500 CB 1.278 27 residues pruned to eliminate duplicates Z: 36 31.995 2.055 0.649 0.696 0.971 0.771 CB 1.374 36 residues pruned to eliminate duplicates Z: 28 20.458 1.957 0.516 0.650 0.963 0.704 CB 1.198 28 residues pruned to eliminate duplicates Z: 108 46.031 1.993 0.608 0.641 0.925 0.467 CB 1.316 108 residues pruned to eliminate duplicates Z: 62 40.281 2.058 0.729 0.700 0.918 0.492 CB 1.316 62 residues pruned to eliminate duplicates Z: 46 28.043 1.990 0.573 0.677 0.933 0.578 CB 1.216 44 residues pruned to eliminate duplicates Z: 13 26.909 1.984 0.960 0.915 1.000 0.917 CB 1.412 13 residues pruned to eliminate duplicates Z: 44 28.272 1.940 0.614 0.619 0.953 0.698 CB 1.291 44 residues pruned to eliminate duplicates Z: 44 24.976 1.993 0.702 0.608 0.814 0.651 CB 1.245 44 residues pruned to eliminate duplicates Z: 38 24.755 1.936 0.635 0.589 0.919 0.595 CB 1.285 38 residues pruned to eliminate duplicates Z: 29 23.278 1.966 0.685 0.599 0.964 0.571 CB 1.253 29 residues pruned to eliminate duplicates Z: 29 24.322 1.985 0.715 0.629 0.929 0.607 CB 1.287 29 residues pruned to eliminate duplicates Z: 43 27.346 1.950 0.760 0.641 0.905 0.643 CB 1.191 43 residues pruned to eliminate duplicates Z: 21 21.170 2.032 0.816 0.557 0.900 0.650 CB 1.349 21 residues pruned to eliminate duplicates Z: 45 26.014 1.908 0.707 0.606 0.864 0.614 CB 1.261 45 residues pruned to eliminate duplicates Z: 56 32.664 1.960 0.630 0.663 0.927 0.673 CB 1.278 56 residues pruned to eliminate duplicates Z: 10 10.576 1.720 0.608 0.631 1.000 0.444 CB 1.127 10 residues pruned to eliminate duplicates Z: 73 40.608 1.993 0.822 0.671 0.917 0.556 CB 1.228 73 residues pruned to eliminate duplicates Z: 63 40.976 2.032 0.749 0.686 0.919 0.484 CB 1.343 63 residues pruned to eliminate duplicates Z: 44 28.503 1.995 0.668 0.619 0.930 0.698 CB 1.254 44 residues pruned to eliminate duplicates Z: 54 32.173 1.977 0.597 0.663 0.943 0.604 CB 1.276 54 residues pruned to eliminate duplicates Z: 13 8.429 1.694 0.641 0.595 0.917 0.417 CB 0.872 13 residues pruned to eliminate duplicates Z: 30 24.382 1.933 0.844 0.630 0.931 0.655 CB 1.208 30 residues pruned to eliminate duplicates Z: 45 26.598 1.996 0.583 0.594 0.932 0.659 CB 1.245 45 residues pruned to eliminate duplicates Z: 32 22.271 1.984 0.674 0.599 0.935 0.516 CB 1.172 32 residues pruned to eliminate duplicates Z: 45 23.703 1.958 0.566 0.593 0.886 0.614 CB 1.203 45 residues pruned to eliminate duplicates Z: 86 45.421 2.006 0.779 0.666 0.929 0.541 CB 1.274 86 residues pruned to eliminate duplicates Z: 19 15.076 1.904 0.429 0.587 0.944 0.722 CB 1.272 19 residues pruned to eliminate duplicates Z: 14 16.876 1.836 0.322 0.875 1.000 0.846 CA 1.402 14 residues pruned to eliminate duplicates Z: 22 16.084 1.954 0.400 0.645 0.905 0.667 CB 1.238 22 residues pruned to eliminate duplicates Z: 21 17.478 1.959 0.384 0.645 1.000 0.600 CB 1.259 21 residues pruned to eliminate duplicates Z: 23 16.323 1.950 0.529 0.649 0.864 0.455 CB 1.177 23 residues pruned to eliminate duplicates Z: 48 30.022 2.009 0.541 0.655 0.936 0.660 CB 1.308 48 residues pruned to eliminate duplicates Z: 24 16.950 1.889 0.416 0.643 0.957 0.435 CB 1.208 24 residues pruned to eliminate duplicates Z: 21 15.868 2.003 0.471 0.656 0.850 0.650 CB 1.226 21 residues pruned to eliminate duplicates Z: 19 20.092 1.980 0.484 0.744 1.000 0.611 CB 1.296 19 residues pruned to eliminate duplicates Z: 17 21.482 1.939 0.648 0.821 0.938 0.562 CB 1.358 17 residues pruned to eliminate duplicates Z: 16 21.425 2.038 0.483 0.904 1.000 0.600 CB 1.303 16 residues pruned to eliminate duplicates Z: 16 24.345 2.001 0.735 0.911 1.000 0.800 CB 1.283 16 residues pruned to eliminate duplicates Z: 17 26.069 1.951 0.731 0.928 1.000 0.812 CB 1.351 16 residues pruned to eliminate duplicates Z: 20 24.650 2.147 0.633 0.756 0.842 0.579 CB 1.525 20 residues pruned to eliminate duplicates Z: 26 29.141 2.072 0.713 0.740 0.960 0.680 CB 1.379 21 residues pruned to eliminate duplicates Z: 18 32.410 2.186 0.661 0.928 1.000 0.765 CB 1.516 18 residues pruned to eliminate duplicates Z: 22 29.740 2.149 0.728 0.783 0.905 0.810 CB 1.505 22 residues pruned to eliminate duplicates Z: 25 25.216 2.048 0.782 0.708 0.875 0.625 CB 1.334 25 residues pruned to eliminate duplicates Z: 25 22.415 2.036 0.685 0.709 0.875 0.583 CB 1.261 25 residues pruned to eliminate duplicates Z: 21 30.409 2.163 0.754 0.840 0.950 0.800 CB 1.408 21 residues pruned to eliminate duplicates Z: 30 23.470 1.961 0.858 0.583 0.862 0.621 CB 1.281 30 residues pruned to eliminate duplicates Z: 21 32.096 2.159 0.835 0.824 0.950 0.700 CB 1.440 21 residues pruned to eliminate duplicates Z: 22 29.705 2.118 0.751 0.784 0.952 0.762 CB 1.429 22 residues pruned to eliminate duplicates Z: 24 27.353 2.077 0.843 0.708 0.913 0.609 CB 1.351 24 residues pruned to eliminate duplicates Z: 21 32.965 2.115 0.881 0.813 1.000 0.650 CB 1.411 21 residues pruned to eliminate duplicates Z: 28 25.874 1.971 0.787 0.691 0.852 0.704 CB 1.394 28 residues pruned to eliminate duplicates Z: 67 43.216 2.067 0.747 0.681 0.924 0.576 CB 1.350 85 residues pruned to eliminate duplicates Z: 19 37.647 2.176 0.831 0.932 1.000 0.889 CA 1.554 19 residues pruned to eliminate duplicates Z: 28 25.567 2.016 0.869 0.654 0.889 0.519 CB 1.272 28 residues pruned to eliminate duplicates Z: 21 35.089 2.155 0.976 0.830 0.950 0.700 CB 1.459 21 residues pruned to eliminate duplicates Z: 20 34.327 2.210 0.968 0.858 0.947 0.737 CB 1.408 20 residues pruned to eliminate duplicates Z: 25 26.559 2.056 0.820 0.706 0.875 0.500 CB 1.374 25 residues pruned to eliminate duplicates Z: 32 24.926 1.930 0.781 0.613 0.839 0.516 CB 1.395 32 residues pruned to eliminate duplicates Z: 29 23.326 1.999 0.693 0.649 0.821 0.571 CB 1.380 29 residues pruned to eliminate duplicates Z: 28 25.115 1.979 0.821 0.689 0.852 0.407 CB 1.324 28 residues pruned to eliminate duplicates Z: 57 45.121 2.132 0.805 0.729 0.893 0.607 CB 1.427 65 residues pruned to eliminate duplicates Z: 8 6.960 1.745 0.543 0.698 0.857 0.429 CA 0.952 8 residues pruned to eliminate duplicates Z: 12 10.712 1.772 0.750 0.536 0.909 0.636 CB 1.106 12 residues pruned to eliminate duplicates Z: 37 31.370 2.079 0.620 0.661 0.972 0.472 CB 1.375 37 residues pruned to eliminate duplicates Z: 39 28.415 2.053 0.806 0.646 0.868 0.526 CB 1.248 39 residues pruned to eliminate duplicates Z: 45 32.633 2.036 0.856 0.635 0.909 0.432 CB 1.262 37 residues pruned to eliminate duplicates Z: 10 12.645 1.855 0.819 0.617 1.000 0.778 CB 1.119 10 residues pruned to eliminate duplicates Z: 38 33.403 2.081 0.956 0.641 0.919 0.676 CB 1.287 38 residues pruned to eliminate duplicates Z: 21 16.713 1.986 0.681 0.607 0.900 0.550 CB 1.123 21 residues pruned to eliminate duplicates Z: 38 29.202 2.093 0.771 0.630 0.892 0.541 CB 1.285 38 residues pruned to eliminate duplicates Z: 45 32.303 2.040 0.783 0.646 0.932 0.523 CB 1.254 45 residues pruned to eliminate duplicates Z: 11 29.715 2.133 1.120 0.905 1.000 0.900 CB 1.479 11 residues pruned to eliminate duplicates Z: 37 35.728 2.105 0.837 0.681 0.944 0.722 CA 1.381 37 residues pruned to eliminate duplicates Z: 35 28.606 2.091 0.738 0.648 0.853 0.588 CB 1.378 35 residues pruned to eliminate duplicates Z: 58 42.503 2.095 0.904 0.681 0.895 0.421 CB 1.336 58 residues pruned to eliminate duplicates Z: 25 36.098 2.241 0.892 0.750 0.917 0.708 CA 1.516 25 residues pruned to eliminate duplicates Z: 37 34.396 2.089 0.853 0.675 0.917 0.639 CB 1.374 37 residues pruned to eliminate duplicates Z: 69 39.466 2.001 0.783 0.659 0.912 0.544 CB 1.270 69 residues pruned to eliminate duplicates Z: 57 37.105 2.057 0.893 0.607 0.875 0.500 CB 1.314 57 residues pruned to eliminate duplicates Z: 40 33.808 2.089 0.912 0.645 0.897 0.615 CB 1.319 40 residues pruned to eliminate duplicates Z: 43 30.301 1.986 0.984 0.581 0.905 0.643 CB 1.213 43 residues pruned to eliminate duplicates Z: 68 39.788 2.055 0.756 0.653 0.896 0.582 CB 1.305 68 residues pruned to eliminate duplicates Z: 23 22.951 2.048 0.690 0.664 0.955 0.636 CB 1.272 23 residues pruned to eliminate duplicates Z: 25 33.699 2.225 0.754 0.730 1.000 0.792 CA 1.433 25 residues pruned to eliminate duplicates Z: 25 33.973 2.187 0.826 0.743 1.000 0.792 CA 1.397 25 residues pruned to eliminate duplicates Z: 25 32.753 2.218 0.677 0.735 1.000 0.708 CA 1.456 25 residues pruned to eliminate duplicates Z: 13 22.512 2.215 0.741 0.825 0.917 0.667 CA 1.387 13 residues pruned to eliminate duplicates Z: 31 18.709 2.017 0.651 0.561 0.867 0.567 CB 1.115 31 residues pruned to eliminate duplicates Z: 34 26.553 2.064 0.583 0.673 0.909 0.606 CB 1.327 34 residues pruned to eliminate duplicates Z: 45 28.541 2.021 0.640 0.629 0.932 0.545 CB 1.233 45 residues pruned to eliminate duplicates Z: 39 28.987 2.080 0.692 0.614 0.947 0.526 CB 1.266 39 residues pruned to eliminate duplicates Z: 32 30.262 2.121 0.744 0.682 0.935 0.677 CB 1.329 32 residues pruned to eliminate duplicates Z: 15 11.993 2.045 0.839 0.726 0.786 0.357 CB 0.884 15 residues pruned to eliminate duplicates Z: 44 32.596 2.040 0.729 0.657 0.930 0.698 CB 1.310 44 residues pruned to eliminate duplicates Z: 14 19.374 2.056 0.864 0.798 0.846 0.231 CA 1.276 14 residues pruned to eliminate duplicates Z: 37 32.130 2.063 0.772 0.654 0.944 0.639 CB 1.344 37 residues pruned to eliminate duplicates Z: 23 20.080 1.953 0.749 0.576 0.909 0.409 CB 1.282 23 residues pruned to eliminate duplicates Z: 7 7.437 1.794 0.406 0.558 0.833 0.167 CB 1.365 7 residues pruned to eliminate duplicates Z: 9 3.811 1.725 0.297 0.491 0.750 0.375 CB 0.811 9 residues pruned to eliminate duplicates Z: 9 5.166 1.671 0.396 0.497 0.750 0.375 CB 1.047 9 residues pruned to eliminate duplicates Z: 9 7.018 1.685 0.482 0.513 0.875 0.375 CB 1.121 9 residues pruned to eliminate duplicates Z: 9 8.007 1.623 0.529 0.622 1.000 0.750 CB 1.017 9 residues pruned to eliminate duplicates Z: 31 14.815 1.809 0.228 0.656 0.933 0.500 CB 1.129 27 residues pruned to eliminate duplicates Z: 8 8.368 1.476 0.722 0.819 0.857 0.714 CB 1.100 8 residues pruned to eliminate duplicates Z: 31 15.053 1.799 0.324 0.682 0.900 0.567 CB 1.085 31 residues pruned to eliminate duplicates Z: 22 15.929 1.872 0.382 0.669 0.952 0.476 CB 1.206 22 residues pruned to eliminate duplicates Z: 24 13.781 1.861 0.266 0.663 0.870 0.565 CB 1.205 24 residues pruned to eliminate duplicates Z: 28 14.150 1.829 0.367 0.602 0.963 0.481 CB 1.027 28 residues pruned to eliminate duplicates Z: 21 11.222 1.843 0.219 0.672 0.850 0.350 CB 1.121 21 residues pruned to eliminate duplicates Z: 32 12.832 1.818 0.295 0.593 0.839 0.484 CB 1.067 32 residues pruned to eliminate duplicates Z: 22 15.199 1.869 0.471 0.659 0.905 0.476 CB 1.151 22 residues pruned to eliminate duplicates Z: 45 24.917 1.910 0.570 0.630 0.909 0.477 CB 1.219 45 residues pruned to eliminate duplicates Z: 15 15.168 2.083 0.279 0.805 0.929 0.500 CB 1.256 15 residues pruned to eliminate duplicates Z: 75 32.204 1.886 0.561 0.642 0.919 0.432 CB 1.212 72 residues pruned to eliminate duplicates Z: 16 17.127 2.035 0.356 0.861 1.000 0.533 CB 1.178 16 residues pruned to eliminate duplicates Z: 22 13.721 1.843 0.354 0.631 0.952 0.524 CB 1.113 22 residues pruned to eliminate duplicates Z: 52 27.319 1.947 0.546 0.607 0.882 0.412 CB 1.301 52 residues pruned to eliminate duplicates Z: 45 23.519 1.902 0.654 0.673 0.864 0.318 CB 1.113 45 residues pruned to eliminate duplicates Z: 18 12.826 1.992 0.242 0.762 0.941 0.529 CB 1.058 18 residues pruned to eliminate duplicates Z: 18 14.798 1.964 0.390 0.767 0.882 0.588 CB 1.176 18 residues pruned to eliminate duplicates Z: 59 26.643 1.873 0.456 0.673 0.948 0.500 CB 1.154 59 residues pruned to eliminate duplicates Z: 20 13.575 1.865 0.313 0.596 0.947 0.316 CB 1.224 20 residues pruned to eliminate duplicates Z: 21 12.460 1.856 0.282 0.722 0.950 0.550 CB 1.009 21 residues pruned to eliminate duplicates Z: 16 16.646 1.892 0.564 0.716 1.000 0.533 CB 1.195 16 residues pruned to eliminate duplicates Z: 24 19.330 1.878 0.547 0.665 1.000 0.478 CB 1.191 24 residues pruned to eliminate duplicates Z: 51 28.663 1.903 0.499 0.690 0.980 0.600 CB 1.219 51 residues pruned to eliminate duplicates Z: 26 13.721 1.817 0.362 0.606 0.880 0.520 CB 1.139 26 residues pruned to eliminate duplicates Z: 24 20.212 1.915 0.511 0.664 1.000 0.652 CB 1.251 24 residues pruned to eliminate duplicates Z: 28 22.902 1.891 0.491 0.727 0.963 0.667 CB 1.323 28 residues pruned to eliminate duplicates Z: 28 24.619 1.898 0.541 0.713 1.000 0.593 CB 1.336 28 residues pruned to eliminate duplicates Z: 27 25.659 1.957 0.649 0.751 0.923 0.577 CB 1.351 27 residues pruned to eliminate duplicates Z: 29 24.154 1.869 0.552 0.711 0.964 0.607 CB 1.348 29 residues pruned to eliminate duplicates Z: 29 24.950 1.910 0.615 0.723 0.893 0.607 CB 1.400 29 residues pruned to eliminate duplicates Z: 27 20.966 1.859 0.578 0.723 0.923 0.500 CB 1.241 27 residues pruned to eliminate duplicates Z: 25 28.219 1.983 0.605 0.802 0.958 0.708 CB 1.451 25 residues pruned to eliminate duplicates Z: 16 20.339 1.969 0.700 0.762 0.933 0.667 CB 1.332 16 residues pruned to eliminate duplicates Z: 51 28.782 1.899 0.481 0.687 0.960 0.620 CB 1.270 51 residues pruned to eliminate duplicates Z: 26 28.808 1.942 0.692 0.764 1.000 0.640 CB 1.388 26 residues pruned to eliminate duplicates Z: 27 25.272 1.942 0.530 0.748 1.000 0.654 CB 1.336 27 residues pruned to eliminate duplicates Z: 25 24.739 1.977 0.419 0.791 1.000 0.708 CB 1.395 25 residues pruned to eliminate duplicates Z: 27 25.873 1.963 0.545 0.755 1.000 0.654 CB 1.333 27 residues pruned to eliminate duplicates Z: 27 23.831 1.918 0.484 0.743 1.000 0.615 CB 1.321 27 residues pruned to eliminate duplicates Z: 27 26.588 1.971 0.547 0.753 1.000 0.538 CB 1.365 27 residues pruned to eliminate duplicates Z: 25 27.339 2.005 0.474 0.791 0.958 0.792 CB 1.526 25 residues pruned to eliminate duplicates Z: 27 23.032 1.926 0.532 0.726 0.923 0.577 CB 1.352 27 residues pruned to eliminate duplicates Z: 27 25.269 1.961 0.520 0.767 0.962 0.538 CB 1.364 27 residues pruned to eliminate duplicates Z: 25 29.402 2.002 0.690 0.779 0.958 0.750 CB 1.447 25 residues pruned to eliminate duplicates Z: 26 28.642 1.948 0.637 0.766 0.960 0.640 CA 1.478 26 residues pruned to eliminate duplicates Z: 21 12.831 1.687 0.574 0.549 0.850 0.450 CB 1.211 21 residues pruned to eliminate duplicates Z: 26 28.735 1.977 0.747 0.761 0.960 0.680 CB 1.375 27 residues pruned to eliminate duplicates Z: 11 19.057 1.801 0.799 0.892 1.000 0.500 CB 1.337 9 residues pruned to eliminate duplicates Z: 11 14.742 1.797 0.597 0.900 0.900 0.800 CB 1.289 11 residues pruned to eliminate duplicates Z: 25 31.145 1.978 0.716 0.806 0.958 0.667 CB 1.496 25 residues pruned to eliminate duplicates Z: 6 2.011 1.622 0.081 0.100 1.000 0.600 CB 0.855 Z: 6 3.999 1.413 0.674 0.391 1.000 0.800 CB 0.848 Z: 6 2.916 1.383 0.628 0.314 0.800 0.200 CB 0.890 5 residues pruned to eliminate duplicates Z: 6 3.150 1.683 0.410 0.356 0.800 0.400 CB 0.867 4 residues pruned to eliminate duplicates Z: 6 3.146 1.672 0.376 0.333 0.800 0.200 CB 0.917 6 residues pruned to eliminate duplicates 514 residues left after pruning, divided into chains as follows: A: 17 B: 12 C: 12 D: 24 E: 40 F: 25 G: 43 H: 18 I: 129 J: 185 K: 9 CC for partial structure against native data = 37.18 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.396, Connect. = 0.707 for dens.mod. cycle 1 = 0.300, Contrast = 0.449, Connect. = 0.729 for dens.mod. cycle 2 = 0.301, Contrast = 0.535, Connect. = 0.761 for dens.mod. cycle 3 = 0.300, Contrast = 0.541, Connect. = 0.762 for dens.mod. cycle 4 = 0.301, Contrast = 0.550, Connect. = 0.764 for dens.mod. cycle 5 = 0.300, Contrast = 0.554, Connect. = 0.765 for dens.mod. cycle 6 = 0.301, Contrast = 0.560, Connect. = 0.767 for dens.mod. cycle 7 = 0.300, Contrast = 0.563, Connect. = 0.767 for dens.mod. cycle 8 = 0.301, Contrast = 0.566, Connect. = 0.768 for dens.mod. cycle 9 = 0.300, Contrast = 0.568, Connect. = 0.769 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.35 - 3.44 - 3.00 - 2.73 - 2.53 - 2.38 - 2.26 - 2.16 - 2.08 - 2.00 0.663 0.710 0.689 0.677 0.683 0.670 0.629 0.577 0.523 0.487 0.817 0.877 0.870 0.857 0.868 0.844 0.785 0.726 0.661 0.626 N 4065 4113 4091 3976 4152 4110 4056 4144 3907 3925 Estimated mean FOM = 0.632 Pseudo-free CC = 65.09 % Best trace (cycle 1 with CC 39.68%) was saved as ./1z82-2.0-parrot-hancs/1z82-2.0-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.5 - Setup, data input and phasing 3.3 - FFTs and peak-searches 15.2 - Sphere of influence 0.5 - Rest of density modification 0.0 - Alpha-helix search 1226.2 - Tripeptide search 7024.8 - Chain tracing 0.0 - NCS analysis 32.2 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 17:43:03 Total time: 8302.81 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 139.17 Used memory is bytes: 31391016