++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:48:13 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: ./2aml-1.5-parrot-hancs/2aml-1.5-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2aml-1.5-parrot-hancs/2aml-1.5-parrot-hancs.ins Phases from ./2aml-1.5-parrot-hancs/2aml-1.5-parrot-hancs.phi Native data from ./2aml-1.5-parrot-hancs/2aml-1.5-parrot-hancs.hkl Listing output to ./2aml-1.5-parrot-hancs/2aml-1.5-parrot-hancs.lst Phases output to ./2aml-1.5-parrot-hancs/2aml-1.5-parrot-hancs.phs Poly-Ala trace output to ./2aml-1.5-parrot-hancs/2aml-1.5-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 21 21 21 Allowed origin shift code: 4 110667 Reflections read from file ./2aml-1.5-parrot-hancs/2aml-1.5-parrot-hancs.phi 110667 Reflections read from file ./2aml-1.5-parrot-hancs/2aml-1.5-parrot-hancs.hkl 110667 Unique data, highest resolution = 1.500 Angstroms Anisotropic scaling: intensities multiplied by 0.000144h^2 -0.000080k^2 +0.000042l^2 +0.000000kl +0.000000hl +0.000000hk 22 Reflections with d > 1.700 and 0 in range 1.700 > d > 1.500 added Density sharpening factor set to 1.50 Fourier grid = 128 x 256 x 61 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 40 Extra Fourier layers will be generated <|E^2-1|> = 0.726 = 0.300, Contrast = 0.323, Connect. = 0.745 for dens.mod. cycle 1 = 0.300, Contrast = 0.398, Connect. = 0.764 for dens.mod. cycle 2 = 0.300, Contrast = 0.483, Connect. = 0.787 for dens.mod. cycle 3 = 0.300, Contrast = 0.510, Connect. = 0.791 for dens.mod. cycle 4 = 0.300, Contrast = 0.527, Connect. = 0.795 for dens.mod. cycle 5 = 0.300, Contrast = 0.538, Connect. = 0.796 for dens.mod. cycle 6 = 0.300, Contrast = 0.546, Connect. = 0.797 for dens.mod. cycle 7 = 0.300, Contrast = 0.552, Connect. = 0.798 for dens.mod. cycle 8 = 0.300, Contrast = 0.557, Connect. = 0.798 for dens.mod. cycle 9 = 0.300, Contrast = 0.561, Connect. = 0.798 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4953 peaks > 0.5 sigma used to seed fragment search Space for about 755 unique residues taking solvent into account 956 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 21.727 2.150 0.344 0.847 1.000 0.727 CA 1.684 B: 19 36.328 2.218 0.663 0.870 1.000 0.722 CB 1.695 12 residues pruned to eliminate duplicates C: 18 43.920 2.281 0.929 0.934 1.000 0.824 CB 1.688 D: 19 40.169 2.210 0.824 0.878 1.000 0.833 C 1.704 19 residues pruned to eliminate duplicates E: 22 46.427 2.210 1.092 0.954 1.000 1.000 CB 1.507 F: 23 42.587 2.156 0.922 0.951 1.000 0.909 CB 1.510 23 residues pruned to eliminate duplicates G: 19 40.622 2.296 0.870 0.912 0.944 0.778 CB 1.672 H: 11 29.311 2.177 0.769 0.887 1.000 0.800 C 1.734 11 residues pruned to eliminate duplicates I: 53 67.082 2.246 1.062 0.752 0.942 0.750 CB 1.703 J: 24 38.408 2.273 0.471 0.884 0.957 0.913 CB 1.809 K: 38 47.432 2.084 1.083 0.652 1.000 0.784 CB 1.560 L: 18 40.147 2.293 0.784 0.861 0.941 0.765 CB 1.858 19 residues pruned to eliminate duplicates M: 19 35.841 2.259 0.701 0.878 0.944 0.833 CB 1.689 19 residues pruned to eliminate duplicates N: 12 27.012 2.097 1.019 0.915 0.909 0.636 C 1.496 12 residues pruned to eliminate duplicates O: 44 60.722 2.215 1.148 0.647 1.000 0.744 CB 1.696 38 residues pruned to eliminate duplicates P: 19 41.279 2.188 0.854 0.884 1.000 0.833 CA 1.733 19 residues pruned to eliminate duplicates Q: 18 39.148 2.280 0.728 0.931 1.000 0.882 CB 1.684 18 residues pruned to eliminate duplicates R: 22 56.349 2.340 1.317 0.942 1.000 0.905 CB 1.572 2 residues pruned to eliminate duplicates S: 16 44.380 2.438 0.768 0.856 1.000 0.800 CB 1.960 17 residues pruned to eliminate duplicates T: 18 38.099 2.384 0.575 0.871 0.941 0.706 CB 1.907 18 residues pruned to eliminate duplicates U: 44 53.674 2.248 0.798 0.689 0.953 0.767 CB 1.786 18 residues pruned to eliminate duplicates V: 20 38.629 2.231 1.056 0.892 0.895 0.632 CB 1.551 W: 14 17.621 2.100 0.634 0.551 0.846 0.692 CB 1.601 14 residues pruned to eliminate duplicates X: 21 43.073 2.140 1.023 0.884 0.950 0.650 CB 1.692 20 residues pruned to eliminate duplicates Y: 40 69.857 2.257 0.968 0.905 1.000 0.872 CB 1.793 40 residues pruned to eliminate duplicates Z: 20 43.186 2.282 1.021 0.891 1.000 0.737 CB 1.545 21 residues pruned to eliminate duplicates Z: 18 35.093 2.151 0.838 0.893 0.941 0.706 CB 1.642 Z: 11 13.776 1.857 0.434 0.781 0.900 0.500 CA 1.419 Z: 22 53.255 2.354 1.130 0.945 1.000 1.000 CB 1.604 22 residues pruned to eliminate duplicates Z: 22 45.377 2.249 0.919 0.958 1.000 0.952 CB 1.574 22 residues pruned to eliminate duplicates Z: 22 46.764 2.323 1.081 0.935 0.952 0.905 CB 1.545 22 residues pruned to eliminate duplicates Z: 25 30.471 2.272 0.304 0.855 0.958 0.875 CB 1.617 25 residues pruned to eliminate duplicates Z: 20 40.225 2.258 1.008 0.898 0.947 0.684 CB 1.537 20 residues pruned to eliminate duplicates Z: 26 37.338 2.178 0.695 0.826 0.920 0.680 CB 1.658 25 residues pruned to eliminate duplicates Z: 53 59.544 2.307 0.885 0.644 0.942 0.712 CB 1.762 29 residues pruned to eliminate duplicates Z: 18 45.880 2.403 0.762 0.890 1.000 0.765 CB 1.891 18 residues pruned to eliminate duplicates Z: 20 41.016 2.240 0.857 0.896 1.000 0.895 CB 1.621 20 residues pruned to eliminate duplicates Z: 54 54.121 2.208 0.874 0.715 0.962 0.679 CB 1.537 3 residues pruned to eliminate duplicates Z: 18 40.752 2.382 0.686 0.891 0.941 0.765 CB 1.880 18 residues pruned to eliminate duplicates Z: 18 46.382 2.395 0.755 0.893 1.000 0.824 C 1.922 18 residues pruned to eliminate duplicates Z: 16 34.780 2.242 0.718 0.919 0.933 0.800 CB 1.760 16 residues pruned to eliminate duplicates Z: 10 34.725 2.479 0.617 0.910 1.000 1.000 C 2.047 10 residues pruned to eliminate duplicates Z: 31 39.316 2.153 0.860 0.678 0.933 0.667 CB 1.630 31 residues pruned to eliminate duplicates Z: 23 38.020 2.285 0.442 0.876 1.000 0.909 CB 1.787 24 residues pruned to eliminate duplicates Z: 23 50.055 2.175 1.156 0.935 1.000 0.773 CB 1.586 22 residues pruned to eliminate duplicates Z: 18 45.601 2.246 1.102 0.923 1.000 0.824 CB 1.647 18 residues pruned to eliminate duplicates Z: 23 50.074 2.299 1.170 0.917 1.000 0.909 CB 1.511 23 residues pruned to eliminate duplicates Z: 10 27.359 2.278 0.726 0.904 1.000 0.889 CB 1.652 10 residues pruned to eliminate duplicates Z: 37 54.769 2.268 1.003 0.661 1.000 0.694 CB 1.731 37 residues pruned to eliminate duplicates Z: 25 40.752 2.211 1.149 0.858 0.958 0.833 CB 1.346 25 residues pruned to eliminate duplicates Z: 46 55.360 2.242 0.930 0.630 1.000 0.667 CB 1.687 46 residues pruned to eliminate duplicates Z: 19 45.151 2.290 0.896 0.920 1.000 0.833 CB 1.726 18 residues pruned to eliminate duplicates Z: 19 43.499 2.301 0.923 0.899 1.000 0.611 CB 1.656 19 residues pruned to eliminate duplicates Z: 19 38.659 2.200 0.838 0.896 1.000 0.667 CB 1.615 19 residues pruned to eliminate duplicates Z: 18 42.263 2.261 0.817 0.937 1.000 0.882 CB 1.737 18 residues pruned to eliminate duplicates Z: 39 60.065 2.240 0.851 0.888 0.974 0.816 CB 1.739 39 residues pruned to eliminate duplicates Z: 87 65.947 2.244 0.750 0.710 0.930 0.709 CB 1.609 87 residues pruned to eliminate duplicates Z: 19 36.393 2.296 0.700 0.878 0.944 0.722 CB 1.689 19 residues pruned to eliminate duplicates Z: 7 21.734 2.157 0.787 0.797 1.000 0.667 C 1.776 7 residues pruned to eliminate duplicates Z: 10 15.612 1.913 0.620 0.785 1.000 0.778 CA 1.306 Z: 9 23.017 2.027 0.830 0.851 1.000 0.875 CB 1.624 9 residues pruned to eliminate duplicates Z: 18 37.620 2.132 0.706 0.930 1.000 0.941 CA 1.754 Z: 39 55.541 2.195 0.827 0.900 0.974 0.789 CB 1.648 43 residues pruned to eliminate duplicates Z: 8 25.944 2.304 0.681 0.862 1.000 0.714 CA 1.859 10 residues pruned to eliminate duplicates Z: 19 31.677 2.053 0.895 0.831 0.889 0.778 CB 1.622 19 residues pruned to eliminate duplicates Z: 19 43.720 2.238 0.947 0.932 1.000 0.833 CB 1.652 19 residues pruned to eliminate duplicates Z: 18 39.586 2.272 0.748 0.940 1.000 0.941 CB 1.679 18 residues pruned to eliminate duplicates Z: 21 47.578 2.214 1.136 0.890 1.000 0.800 CB 1.618 19 residues pruned to eliminate duplicates Z: 20 37.149 2.117 0.883 0.895 1.000 0.947 CB 1.533 Z: 24 44.179 2.165 1.110 0.926 0.957 0.826 CB 1.478 24 residues pruned to eliminate duplicates Z: 20 40.205 2.253 0.698 0.891 1.000 0.842 C 1.733 20 residues pruned to eliminate duplicates Z: 10 19.575 1.998 0.498 0.905 1.000 1.000 C 1.552 10 residues pruned to eliminate duplicates Z: 25 52.916 2.288 0.909 0.889 0.958 0.667 CB 1.858 18 residues pruned to eliminate duplicates Z: 40 64.426 2.239 0.955 0.868 0.974 0.692 CB 1.768 40 residues pruned to eliminate duplicates Z: 19 44.106 2.314 0.767 0.890 1.000 0.833 C 1.829 19 residues pruned to eliminate duplicates Z: 25 40.154 2.205 0.624 0.872 0.958 0.792 CB 1.741 23 residues pruned to eliminate duplicates Z: 14 34.964 2.012 1.132 0.925 1.000 1.000 CB 1.586 Z: 25 45.929 2.251 0.776 0.854 0.958 0.625 CA 1.807 25 residues pruned to eliminate duplicates Z: 24 45.841 2.125 1.056 0.949 1.000 0.957 CB 1.510 24 residues pruned to eliminate duplicates Z: 11 8.639 1.755 0.150 0.809 0.800 0.700 CB 1.292 11 residues pruned to eliminate duplicates Z: 21 41.377 2.136 1.138 0.910 0.950 0.900 CB 1.512 21 residues pruned to eliminate duplicates Z: 20 34.285 2.236 0.680 0.923 1.000 0.895 CB 1.471 20 residues pruned to eliminate duplicates Z: 34 63.486 2.190 1.052 0.945 1.000 0.848 CB 1.702 34 residues pruned to eliminate duplicates Z: 39 49.337 2.217 0.577 0.872 1.000 0.842 CB 1.669 39 residues pruned to eliminate duplicates Z: 18 31.334 2.132 0.637 0.881 0.941 0.706 CB 1.676 18 residues pruned to eliminate duplicates Z: 9 23.503 2.235 0.742 0.784 1.000 0.875 CA 1.661 8 residues pruned to eliminate duplicates Z: 17 38.517 2.232 1.054 0.915 0.938 0.875 CB 1.584 17 residues pruned to eliminate duplicates Z: 19 37.960 2.199 0.818 0.925 0.944 0.889 CA 1.662 19 residues pruned to eliminate duplicates Z: 11 25.458 2.350 0.449 0.813 0.900 0.800 CA 2.000 11 residues pruned to eliminate duplicates Z: 40 68.044 2.239 0.940 0.910 1.000 0.641 CB 1.779 40 residues pruned to eliminate duplicates Z: 8 15.328 2.130 0.524 0.716 0.857 0.714 C 1.713 8 residues pruned to eliminate duplicates Z: 40 75.233 2.243 1.150 0.907 1.000 0.846 CB 1.777 40 residues pruned to eliminate duplicates Z: 19 46.243 2.192 1.373 0.911 0.944 0.611 CB 1.572 19 residues pruned to eliminate duplicates Z: 40 60.665 2.228 0.875 0.903 0.949 0.769 CB 1.748 40 residues pruned to eliminate duplicates Z: 20 43.175 2.259 1.086 0.902 0.947 0.684 CB 1.583 20 residues pruned to eliminate duplicates Z: 9 23.733 2.252 0.612 0.875 1.000 0.875 CA 1.681 8 residues pruned to eliminate duplicates Z: 19 43.638 2.200 0.948 0.884 1.000 0.667 C 1.734 19 residues pruned to eliminate duplicates Z: 15 30.761 2.230 0.502 0.950 1.000 0.857 CB 1.693 15 residues pruned to eliminate duplicates Z: 20 35.804 2.110 0.707 0.897 0.947 0.789 CA 1.723 20 residues pruned to eliminate duplicates Z: 22 53.835 2.342 1.233 0.932 1.000 0.810 CB 1.569 22 residues pruned to eliminate duplicates Z: 19 42.116 2.288 0.748 0.868 1.000 0.944 C 1.814 19 residues pruned to eliminate duplicates Z: 15 21.643 2.020 0.779 0.518 0.929 0.857 N 1.702 10 residues pruned to eliminate duplicates Z: 46 66.960 2.299 1.225 0.654 0.978 0.733 CB 1.729 54 residues pruned to eliminate duplicates Z: 20 40.074 2.252 1.043 0.902 0.947 0.789 CB 1.505 20 residues pruned to eliminate duplicates Z: 23 55.049 2.300 1.408 0.909 1.000 0.773 CB 1.503 23 residues pruned to eliminate duplicates Z: 23 46.636 2.134 1.168 0.945 1.000 0.773 CB 1.487 23 residues pruned to eliminate duplicates Z: 22 55.822 2.338 1.348 0.938 1.000 0.905 CB 1.543 22 residues pruned to eliminate duplicates Z: 20 39.917 2.265 0.768 0.916 1.000 0.789 CB 1.615 20 residues pruned to eliminate duplicates Z: 7 8.978 1.977 0.528 0.684 0.667 0.667 C 1.537 7 residues pruned to eliminate duplicates Z: 20 35.355 2.264 0.690 0.891 0.947 0.789 CB 1.608 21 residues pruned to eliminate duplicates Z: 24 37.024 2.106 0.615 0.854 0.957 0.870 CA 1.752 24 residues pruned to eliminate duplicates Z: 29 42.478 2.235 0.777 0.735 0.929 0.750 CB 1.763 19 residues pruned to eliminate duplicates Z: 54 68.088 2.265 1.023 0.748 0.981 0.698 CB 1.666 54 residues pruned to eliminate duplicates Z: 15 46.626 2.255 1.184 0.949 1.000 0.786 CB 1.745 16 residues pruned to eliminate duplicates Z: 8 11.752 1.919 0.198 0.838 1.000 0.571 C 1.444 7 residues pruned to eliminate duplicates Z: 17 26.591 2.111 0.426 0.903 0.938 0.938 CB 1.679 17 residues pruned to eliminate duplicates Z: 42 58.165 2.300 0.895 0.717 0.976 0.756 CB 1.755 43 residues pruned to eliminate duplicates Z: 23 41.933 2.156 0.890 0.951 1.000 0.909 CB 1.512 23 residues pruned to eliminate duplicates Z: 35 62.945 2.210 0.982 0.939 1.000 0.794 CB 1.713 35 residues pruned to eliminate duplicates Z: 46 41.434 2.117 1.027 0.585 0.933 0.689 CB 1.422 30 residues pruned to eliminate duplicates Z: 34 62.129 2.204 0.981 0.944 1.000 0.879 CB 1.716 34 residues pruned to eliminate duplicates Z: 17 39.408 2.176 0.798 0.956 1.000 1.000 CB 1.730 17 residues pruned to eliminate duplicates Z: 13 28.409 2.173 0.969 0.698 0.917 0.667 C 1.746 13 residues pruned to eliminate duplicates Z: 19 29.954 2.280 0.510 0.895 0.944 0.889 CB 1.556 19 residues pruned to eliminate duplicates Z: 25 52.086 2.239 0.953 0.868 0.958 0.750 CA 1.855 26 residues pruned to eliminate duplicates Z: 7 14.978 2.100 0.360 0.823 1.000 0.500 CA 1.618 Z: 19 36.612 2.137 0.768 0.894 0.944 0.944 CA 1.734 19 residues pruned to eliminate duplicates Z: 18 38.218 2.239 0.733 0.925 1.000 0.941 CB 1.676 18 residues pruned to eliminate duplicates Z: 40 71.880 2.242 1.070 0.900 1.000 0.718 CB 1.772 40 residues pruned to eliminate duplicates Z: 14 36.623 2.001 1.146 0.925 1.000 0.923 C 1.660 14 residues pruned to eliminate duplicates Z: 13 28.222 1.949 1.177 0.870 0.917 0.833 CB 1.529 13 residues pruned to eliminate duplicates Z: 40 68.400 2.236 1.040 0.904 0.974 0.769 CB 1.755 40 residues pruned to eliminate duplicates Z: 23 45.631 2.150 1.080 0.943 1.000 0.909 CB 1.508 23 residues pruned to eliminate duplicates Z: 41 57.218 2.226 0.704 0.886 0.975 0.850 CB 1.765 41 residues pruned to eliminate duplicates Z: 30 33.590 1.959 0.768 0.884 0.966 0.759 CB 1.347 Z: 41 61.145 2.237 0.799 0.892 0.975 0.800 CB 1.770 41 residues pruned to eliminate duplicates Z: 6 11.955 2.053 0.979 0.763 0.800 0.600 CA 1.302 5 residues pruned to eliminate duplicates Z: 24 41.245 2.178 0.899 0.884 1.000 0.783 CB 1.503 24 residues pruned to eliminate duplicates Z: 12 35.478 2.258 1.118 0.900 0.909 0.909 C 1.758 12 residues pruned to eliminate duplicates Z: 29 32.439 2.198 0.700 0.646 0.857 0.571 CB 1.669 29 residues pruned to eliminate duplicates Z: 18 40.431 2.288 0.635 0.913 1.000 0.824 CA 1.855 18 residues pruned to eliminate duplicates Z: 21 36.944 2.084 1.054 0.829 0.950 0.800 CB 1.529 20 residues pruned to eliminate duplicates Z: 7 10.276 1.881 0.645 0.830 0.833 0.833 CB 1.223 7 residues pruned to eliminate duplicates Z: 10 12.671 1.830 0.489 0.755 0.889 0.667 C 1.389 Z: 27 47.158 2.309 0.924 0.744 0.923 0.769 CB 1.813 28 residues pruned to eliminate duplicates Z: 13 32.982 2.149 0.895 0.949 1.000 1.000 CB 1.614 13 residues pruned to eliminate duplicates Z: 12 22.002 2.012 0.548 0.934 1.000 0.636 C 1.486 12 residues pruned to eliminate duplicates Z: 17 27.718 2.161 0.384 0.951 1.000 1.000 CB 1.597 17 residues pruned to eliminate duplicates Z: 10 17.673 1.861 0.848 0.796 1.000 0.889 CA 1.322 10 residues pruned to eliminate duplicates Z: 109 91.609 2.283 1.005 0.752 0.954 0.750 CB 1.613 103 residues pruned to eliminate duplicates Z: 15 45.240 2.316 1.063 0.898 1.000 0.929 CB 1.810 15 residues pruned to eliminate duplicates Z: 19 42.779 2.331 0.739 0.876 1.000 0.833 C 1.807 19 residues pruned to eliminate duplicates Z: 8 14.341 1.984 0.826 0.479 1.000 0.714 CB 1.528 Z: 17 34.970 2.284 0.693 0.884 0.938 0.812 CB 1.743 17 residues pruned to eliminate duplicates Z: 19 35.259 2.181 0.678 0.927 0.944 0.778 CB 1.684 19 residues pruned to eliminate duplicates Z: 10 22.009 2.029 0.914 0.861 0.889 0.778 CA 1.561 10 residues pruned to eliminate duplicates Z: 10 14.229 2.012 0.763 0.829 0.889 0.778 CB 1.132 10 residues pruned to eliminate duplicates Z: 40 64.650 2.256 0.874 0.895 0.974 0.821 CB 1.802 40 residues pruned to eliminate duplicates Z: 19 41.337 2.223 0.830 0.927 1.000 0.944 CB 1.679 19 residues pruned to eliminate duplicates Z: 37 33.670 2.088 0.679 0.600 0.944 0.667 CB 1.540 37 residues pruned to eliminate duplicates Z: 19 48.716 2.328 1.036 0.899 1.000 0.611 CB 1.732 19 residues pruned to eliminate duplicates Z: 59 45.822 2.107 0.937 0.562 0.914 0.655 CB 1.519 59 residues pruned to eliminate duplicates Z: 14 41.205 2.330 0.841 0.937 1.000 0.923 CB 1.854 14 residues pruned to eliminate duplicates Z: 24 44.383 2.305 0.601 0.886 1.000 0.826 CB 1.809 26 residues pruned to eliminate duplicates Z: 109 92.896 2.260 1.071 0.752 0.954 0.731 CB 1.599 101 residues pruned to eliminate duplicates Z: 19 38.145 2.328 0.664 0.871 0.944 0.722 CB 1.793 19 residues pruned to eliminate duplicates Z: 23 45.261 2.222 1.062 0.946 1.000 0.955 CB 1.457 23 residues pruned to eliminate duplicates Z: 8 22.336 2.206 0.761 0.826 1.000 0.429 CA 1.639 9 residues pruned to eliminate duplicates Z: 22 48.624 2.229 0.945 0.924 1.000 0.810 CB 1.719 22 residues pruned to eliminate duplicates Z: 19 41.185 2.202 0.880 0.947 1.000 0.889 CB 1.621 19 residues pruned to eliminate duplicates Z: 15 24.818 2.056 0.520 0.931 1.000 0.786 CB 1.483 15 residues pruned to eliminate duplicates Z: 19 36.201 2.152 0.840 0.882 0.944 0.722 CB 1.651 19 residues pruned to eliminate duplicates Z: 108 89.168 2.246 1.029 0.751 0.935 0.673 CB 1.617 108 residues pruned to eliminate duplicates Z: 22 31.355 2.045 0.725 0.877 0.952 0.762 CB 1.479 22 residues pruned to eliminate duplicates Z: 22 43.183 2.296 0.879 0.933 1.000 0.952 CB 1.525 22 residues pruned to eliminate duplicates Z: 8 9.290 1.796 0.270 0.800 1.000 0.429 CA 1.183 8 residues pruned to eliminate duplicates Z: 18 40.644 2.296 0.948 0.821 0.941 0.765 C 1.772 18 residues pruned to eliminate duplicates Z: 39 60.369 2.237 0.863 0.915 0.947 0.763 CB 1.753 39 residues pruned to eliminate duplicates Z: 24 39.544 2.298 0.601 0.858 0.913 0.739 CB 1.807 24 residues pruned to eliminate duplicates Z: 19 41.776 2.280 0.884 0.899 1.000 0.611 CB 1.640 19 residues pruned to eliminate duplicates Z: 9 24.583 2.217 0.608 0.846 1.000 0.875 CA 1.810 9 residues pruned to eliminate duplicates Z: 19 35.771 2.281 0.681 0.873 0.944 0.722 CB 1.696 19 residues pruned to eliminate duplicates Z: 8 9.162 1.942 0.267 0.771 0.857 0.571 CB 1.291 8 residues pruned to eliminate duplicates Z: 19 35.842 2.163 0.764 0.939 1.000 1.000 CB 1.539 19 residues pruned to eliminate duplicates Z: 57 53.668 2.230 0.908 0.593 0.911 0.643 CB 1.693 57 residues pruned to eliminate duplicates Z: 18 45.420 2.402 0.793 0.829 1.000 0.706 CB 1.924 18 residues pruned to eliminate duplicates Z: 18 35.393 2.182 0.806 0.855 1.000 0.706 CB 1.607 18 residues pruned to eliminate duplicates Z: 15 25.783 1.872 0.777 0.937 1.000 1.000 CB 1.442 14 residues pruned to eliminate duplicates Z: 18 46.923 2.415 0.766 0.888 1.000 0.941 CB 1.922 18 residues pruned to eliminate duplicates Z: 39 64.186 2.238 0.980 0.885 1.000 0.816 CB 1.697 39 residues pruned to eliminate duplicates Z: 22 50.844 2.357 1.091 0.932 1.000 0.952 CB 1.571 22 residues pruned to eliminate duplicates Z: 10 19.579 1.985 0.618 0.879 0.889 0.778 C 1.658 10 residues pruned to eliminate duplicates Z: 9 12.249 1.838 0.538 0.841 0.875 0.750 C 1.305 9 residues pruned to eliminate duplicates Z: 39 51.459 2.230 0.624 0.876 1.000 0.737 CB 1.675 39 residues pruned to eliminate duplicates Z: 24 42.731 2.130 0.759 0.872 1.000 0.739 CA 1.733 24 residues pruned to eliminate duplicates Z: 35 50.473 2.189 0.701 0.925 1.000 0.941 CB 1.631 35 residues pruned to eliminate duplicates Z: 19 45.569 2.229 1.036 0.934 1.000 0.833 CB 1.651 19 residues pruned to eliminate duplicates Z: 22 42.338 2.230 0.893 0.930 1.000 0.905 CB 1.530 22 residues pruned to eliminate duplicates Z: 41 54.261 2.170 0.672 0.899 0.975 0.875 CB 1.733 41 residues pruned to eliminate duplicates Z: 25 43.224 2.132 0.761 0.852 1.000 0.792 CA 1.739 25 residues pruned to eliminate duplicates Z: 6 6.375 1.601 0.796 0.828 1.000 0.800 CB 0.747 6 residues pruned to eliminate duplicates Z: 6 16.136 2.278 0.709 0.822 1.000 0.800 CB 1.403 5 residues pruned to eliminate duplicates Z: 22 50.910 2.342 1.104 0.933 1.000 0.905 CB 1.573 22 residues pruned to eliminate duplicates Z: 19 31.366 2.057 0.886 0.838 0.944 0.667 CB 1.508 19 residues pruned to eliminate duplicates Z: 14 31.676 2.035 1.095 0.856 1.000 0.769 C 1.519 14 residues pruned to eliminate duplicates Z: 8 18.925 2.100 0.638 0.855 1.000 0.714 CB 1.535 8 residues pruned to eliminate duplicates Z: 19 29.784 2.071 0.745 0.858 0.889 0.611 C 1.610 19 residues pruned to eliminate duplicates Z: 41 69.692 2.241 1.025 0.883 0.975 0.775 CB 1.801 41 residues pruned to eliminate duplicates Z: 48 50.428 2.156 0.953 0.638 0.936 0.702 CB 1.640 42 residues pruned to eliminate duplicates Z: 19 42.720 2.283 0.966 0.868 0.944 0.722 CB 1.736 19 residues pruned to eliminate duplicates Z: 15 24.960 1.849 0.851 0.864 1.000 0.714 CB 1.429 15 residues pruned to eliminate duplicates Z: 45 51.835 2.231 0.921 0.667 0.909 0.682 CB 1.718 49 residues pruned to eliminate duplicates Z: 38 51.057 2.218 0.699 0.862 0.973 0.730 CB 1.681 38 residues pruned to eliminate duplicates Z: 6 14.979 1.900 0.821 0.825 1.000 0.600 CA 1.460 6 residues pruned to eliminate duplicates Z: 17 38.226 2.178 0.792 0.954 1.000 1.000 CB 1.684 17 residues pruned to eliminate duplicates Z: 40 52.062 2.233 0.567 0.885 0.974 0.795 CB 1.764 40 residues pruned to eliminate duplicates Z: 14 30.189 2.017 1.035 0.924 0.923 0.769 C 1.552 14 residues pruned to eliminate duplicates Z: 26 34.552 2.146 0.531 0.872 0.960 0.720 CB 1.597 26 residues pruned to eliminate duplicates Z: 41 48.171 2.176 1.049 0.603 0.925 0.675 CB 1.675 43 residues pruned to eliminate duplicates Z: 21 40.972 2.225 0.751 0.896 1.000 0.700 CB 1.684 21 residues pruned to eliminate duplicates Z: 38 46.013 2.216 0.496 0.882 1.000 0.892 CB 1.651 38 residues pruned to eliminate duplicates Z: 26 40.935 2.177 0.690 0.864 0.960 0.760 CB 1.699 25 residues pruned to eliminate duplicates Z: 19 38.182 2.116 1.043 0.865 1.000 0.889 CB 1.526 20 residues pruned to eliminate duplicates Z: 39 57.476 2.238 0.765 0.886 1.000 0.868 CB 1.703 39 residues pruned to eliminate duplicates Z: 24 40.443 2.291 0.590 0.864 0.957 0.696 CB 1.775 24 residues pruned to eliminate duplicates Z: 23 45.947 2.178 1.112 0.949 0.955 0.864 CB 1.540 23 residues pruned to eliminate duplicates Z: 78 87.096 2.303 1.142 0.752 0.987 0.701 CB 1.628 75 residues pruned to eliminate duplicates Z: 43 62.627 2.270 1.080 0.704 0.952 0.738 CB 1.785 43 residues pruned to eliminate duplicates Z: 40 52.785 2.209 0.682 0.899 0.974 0.795 CB 1.669 40 residues pruned to eliminate duplicates Z: 13 13.882 1.809 0.342 0.906 0.917 0.917 CB 1.280 Z: 43 50.386 2.210 0.908 0.664 0.929 0.738 CB 1.706 41 residues pruned to eliminate duplicates Z: 7 11.623 1.899 0.309 0.774 1.000 0.667 C 1.499 7 residues pruned to eliminate duplicates Z: 18 47.608 2.299 1.109 0.859 1.000 0.412 C 1.752 18 residues pruned to eliminate duplicates Z: 10 42.785 2.450 1.199 0.920 1.000 0.778 C 1.863 10 residues pruned to eliminate duplicates Z: 17 28.915 2.071 0.638 0.889 1.000 0.750 CB 1.533 17 residues pruned to eliminate duplicates Z: 40 51.743 2.186 0.669 0.914 0.974 0.769 CB 1.648 40 residues pruned to eliminate duplicates Z: 40 56.489 2.216 0.833 0.856 0.974 0.795 CB 1.685 40 residues pruned to eliminate duplicates Z: 33 44.093 2.214 0.482 0.924 1.000 0.906 CB 1.669 33 residues pruned to eliminate duplicates Z: 48 59.842 2.202 1.010 0.673 1.000 0.617 CB 1.681 48 residues pruned to eliminate duplicates Z: 8 15.909 2.071 0.603 0.835 0.857 0.857 C 1.582 8 residues pruned to eliminate duplicates Z: 14 32.799 1.998 1.026 0.900 1.000 0.923 CB 1.606 14 residues pruned to eliminate duplicates Z: 15 27.752 2.130 0.706 0.901 0.929 0.857 CB 1.568 15 residues pruned to eliminate duplicates Z: 39 47.528 2.220 0.526 0.892 0.974 0.868 CB 1.679 39 residues pruned to eliminate duplicates Z: 24 34.964 1.988 1.221 0.852 0.870 0.739 CB 1.404 24 residues pruned to eliminate duplicates Z: 19 31.691 2.067 0.471 0.925 1.000 0.889 CA 1.724 19 residues pruned to eliminate duplicates Z: 12 25.134 2.034 0.796 0.911 0.909 0.727 CB 1.617 12 residues pruned to eliminate duplicates Z: 15 32.753 1.922 1.180 0.882 1.000 0.786 CB 1.512 15 residues pruned to eliminate duplicates Z: 8 17.489 2.086 0.529 0.848 1.000 0.429 CA 1.538 8 residues pruned to eliminate duplicates Z: 19 34.845 2.168 0.791 0.891 0.944 0.889 CB 1.611 19 residues pruned to eliminate duplicates Z: 39 65.979 2.218 1.027 0.891 1.000 0.737 CB 1.712 39 residues pruned to eliminate duplicates Z: 8 16.509 2.223 0.231 0.860 1.000 0.714 CA 1.677 8 residues pruned to eliminate duplicates Z: 10 16.013 1.851 0.605 0.797 0.889 0.667 CA 1.559 Z: 39 50.207 2.199 0.571 0.918 0.974 0.842 CB 1.708 39 residues pruned to eliminate duplicates Z: 20 42.979 2.264 0.821 0.880 0.947 0.737 CA 1.829 20 residues pruned to eliminate duplicates Z: 8 11.527 1.849 0.213 0.732 1.000 0.571 CB 1.577 4 residues pruned to eliminate duplicates Z: 25 44.847 2.177 0.649 0.886 1.000 0.833 C 1.839 25 residues pruned to eliminate duplicates Z: 26 38.111 2.148 0.782 0.867 0.880 0.840 CB 1.656 26 residues pruned to eliminate duplicates Z: 41 29.748 1.974 0.706 0.556 0.950 0.700 CB 1.391 25 residues pruned to eliminate duplicates Z: 26 24.235 2.026 0.834 0.473 0.880 0.600 CB 1.524 Z: 21 34.998 2.065 1.136 0.879 0.950 0.700 CB 1.355 20 residues pruned to eliminate duplicates Z: 37 51.343 2.237 1.166 0.647 0.917 0.694 CB 1.679 37 residues pruned to eliminate duplicates Z: 23 40.940 2.150 0.853 0.954 1.000 0.909 CB 1.507 23 residues pruned to eliminate duplicates Z: 40 53.581 2.246 0.566 0.897 1.000 0.897 CB 1.747 40 residues pruned to eliminate duplicates Z: 40 72.774 2.245 1.055 0.910 1.000 0.821 CB 1.792 40 residues pruned to eliminate duplicates Z: 32 53.312 2.212 0.865 0.924 0.968 0.871 CB 1.684 32 residues pruned to eliminate duplicates Z: 9 20.352 1.935 1.033 0.639 1.000 0.875 CB 1.606 7 residues pruned to eliminate duplicates Z: 8 21.536 2.036 1.011 0.883 1.000 0.714 CB 1.437 8 residues pruned to eliminate duplicates Z: 17 36.610 2.293 0.826 0.854 0.938 0.562 CB 1.722 17 residues pruned to eliminate duplicates Z: 12 21.977 2.160 0.639 0.806 0.818 0.545 CB 1.752 12 residues pruned to eliminate duplicates Z: 20 34.160 2.176 0.681 0.869 0.947 0.737 CB 1.651 20 residues pruned to eliminate duplicates Z: 24 41.323 2.295 0.628 0.873 0.957 0.826 CB 1.756 25 residues pruned to eliminate duplicates Z: 9 15.904 2.011 0.807 0.704 1.000 0.750 CB 1.286 10 residues pruned to eliminate duplicates Z: 24 47.967 2.236 0.841 0.936 1.000 0.957 CB 1.692 24 residues pruned to eliminate duplicates Z: 41 68.406 2.209 1.018 0.907 0.975 0.800 CB 1.769 41 residues pruned to eliminate duplicates Z: 25 42.198 2.133 0.779 0.845 1.000 0.667 CB 1.688 24 residues pruned to eliminate duplicates Z: 127 69.960 2.204 0.697 0.651 0.913 0.738 CB 1.587 127 residues pruned to eliminate duplicates Z: 39 53.452 2.208 0.679 0.906 0.974 0.711 CB 1.708 39 residues pruned to eliminate duplicates Z: 9 14.540 1.955 0.516 0.886 0.875 0.750 C 1.430 9 residues pruned to eliminate duplicates Z: 16 24.934 2.125 0.454 0.927 1.000 1.000 CB 1.460 16 residues pruned to eliminate duplicates Z: 14 30.571 1.992 1.114 0.924 0.923 0.923 CA 1.532 14 residues pruned to eliminate duplicates Z: 12 8.256 1.882 0.515 0.427 0.727 0.364 CB 1.296 12 residues pruned to eliminate duplicates Z: 10 22.423 2.143 0.771 0.897 0.889 0.889 CB 1.585 10 residues pruned to eliminate duplicates Z: 31 34.879 1.946 0.817 0.871 0.967 0.733 CB 1.359 30 residues pruned to eliminate duplicates Z: 19 42.713 2.329 0.952 0.894 0.944 0.722 CB 1.682 19 residues pruned to eliminate duplicates Z: 21 39.945 2.081 1.128 0.877 0.900 0.800 CB 1.627 21 residues pruned to eliminate duplicates Z: 41 62.980 2.210 0.909 0.911 0.950 0.825 CB 1.761 41 residues pruned to eliminate duplicates Z: 39 62.488 2.241 0.916 0.884 1.000 0.711 CB 1.707 39 residues pruned to eliminate duplicates Z: 8 12.469 2.092 0.291 0.878 0.857 0.571 CB 1.477 8 residues pruned to eliminate duplicates Z: 16 29.218 2.088 0.562 0.915 1.000 0.933 CB 1.636 16 residues pruned to eliminate duplicates Z: 17 29.213 2.066 0.639 0.889 1.000 0.875 CB 1.553 17 residues pruned to eliminate duplicates Z: 9 13.961 2.034 0.796 0.723 0.750 0.375 CB 1.473 9 residues pruned to eliminate duplicates Z: 28 42.561 2.190 0.772 0.908 0.963 0.815 CB 1.557 28 residues pruned to eliminate duplicates Z: 12 11.247 1.824 0.237 0.799 1.000 0.727 CB 1.157 12 residues pruned to eliminate duplicates Z: 22 52.935 2.221 1.381 0.954 0.952 0.810 CB 1.577 22 residues pruned to eliminate duplicates Z: 8 7.686 1.823 0.043 0.822 1.000 0.571 CB 1.156 8 residues pruned to eliminate duplicates Z: 17 28.246 2.093 0.687 0.858 0.938 0.688 CB 1.571 17 residues pruned to eliminate duplicates Z: 7 8.005 2.018 -0.199 0.871 1.000 0.667 CB 1.475 7 residues pruned to eliminate duplicates Z: 6 22.202 2.411 0.686 0.839 1.000 0.800 C 1.824 6 residues pruned to eliminate duplicates Z: 18 44.568 2.320 0.837 0.899 1.000 0.882 CB 1.813 19 residues pruned to eliminate duplicates Z: 23 40.772 2.136 0.963 0.929 0.955 0.818 CB 1.519 23 residues pruned to eliminate duplicates Z: 19 48.196 2.290 0.943 0.875 1.000 0.722 CB 1.856 19 residues pruned to eliminate duplicates Z: 41 69.186 2.225 1.062 0.872 1.000 0.700 CB 1.737 41 residues pruned to eliminate duplicates Z: 38 43.112 2.174 0.440 0.904 1.000 0.919 CB 1.613 38 residues pruned to eliminate duplicates Z: 20 32.044 2.084 0.906 0.866 0.947 0.737 CB 1.431 20 residues pruned to eliminate duplicates Z: 39 57.181 2.231 0.811 0.883 1.000 0.816 CB 1.660 39 residues pruned to eliminate duplicates Z: 20 40.746 2.157 0.961 0.876 0.947 0.737 CB 1.695 21 residues pruned to eliminate duplicates Z: 24 41.871 2.267 0.701 0.852 0.957 0.739 CB 1.750 24 residues pruned to eliminate duplicates Z: 22 59.806 2.312 1.609 0.948 0.952 0.619 CB 1.568 22 residues pruned to eliminate duplicates Z: 39 60.832 2.246 0.844 0.918 0.974 0.842 CB 1.725 39 residues pruned to eliminate duplicates Z: 25 48.105 2.270 0.836 0.858 0.958 0.750 CA 1.810 25 residues pruned to eliminate duplicates Z: 15 18.232 1.704 0.721 0.813 0.929 0.929 CB 1.363 14 residues pruned to eliminate duplicates Z: 25 39.786 2.274 0.590 0.861 0.958 0.750 CB 1.722 25 residues pruned to eliminate duplicates Z: 18 36.724 2.248 1.072 0.880 1.000 0.824 CB 1.385 18 residues pruned to eliminate duplicates Z: 30 41.598 2.199 0.753 0.698 0.931 0.759 C 1.796 30 residues pruned to eliminate duplicates Z: 19 36.441 2.126 0.869 0.891 1.000 0.667 CB 1.554 19 residues pruned to eliminate duplicates Z: 39 55.182 2.219 0.771 0.893 0.974 0.789 CB 1.680 39 residues pruned to eliminate duplicates Z: 39 63.167 2.218 0.930 0.889 1.000 0.763 CB 1.724 39 residues pruned to eliminate duplicates Z: 14 28.912 1.972 0.852 0.931 1.000 1.000 CB 1.534 14 residues pruned to eliminate duplicates Z: 39 58.933 2.207 0.852 0.897 1.000 0.658 CB 1.673 39 residues pruned to eliminate duplicates Z: 22 37.758 2.210 0.667 0.941 1.000 1.000 CB 1.551 22 residues pruned to eliminate duplicates Z: 17 26.179 2.071 0.753 0.861 0.875 0.875 CB 1.514 17 residues pruned to eliminate duplicates Z: 16 25.768 2.106 0.537 0.860 1.000 0.867 CB 1.511 16 residues pruned to eliminate duplicates Z: 20 43.645 2.117 1.212 0.892 1.000 0.579 CB 1.536 21 residues pruned to eliminate duplicates Z: 19 32.532 2.072 1.010 0.860 0.889 0.611 CB 1.522 19 residues pruned to eliminate duplicates Z: 24 57.970 2.236 1.547 0.939 0.913 0.783 CB 1.616 24 residues pruned to eliminate duplicates Z: 106 81.024 2.265 0.916 0.742 0.914 0.733 CB 1.604 106 residues pruned to eliminate duplicates Z: 20 43.177 2.151 1.021 0.903 1.000 0.842 CB 1.625 20 residues pruned to eliminate duplicates Z: 30 47.467 2.221 0.729 0.916 0.966 0.897 CB 1.679 30 residues pruned to eliminate duplicates Z: 8 19.080 2.209 0.434 0.841 1.000 0.429 CA 1.697 8 residues pruned to eliminate duplicates Z: 41 73.507 2.235 1.153 0.897 0.975 0.775 CB 1.773 41 residues pruned to eliminate duplicates Z: 25 41.871 2.257 0.506 0.895 1.000 0.833 CB 1.802 25 residues pruned to eliminate duplicates Z: 36 57.635 2.266 1.197 0.676 0.971 0.657 CB 1.714 36 residues pruned to eliminate duplicates Z: 18 36.722 2.156 0.811 0.873 0.941 0.765 CB 1.766 18 residues pruned to eliminate duplicates Z: 34 37.993 2.161 0.703 0.662 0.939 0.727 CB 1.646 34 residues pruned to eliminate duplicates Z: 36 48.814 2.154 1.059 0.679 0.971 0.686 CB 1.625 36 residues pruned to eliminate duplicates Z: 101 88.159 2.254 1.005 0.761 0.960 0.760 CB 1.612 99 residues pruned to eliminate duplicates Z: 18 21.253 2.008 0.391 0.879 0.941 0.882 CB 1.421 18 residues pruned to eliminate duplicates Z: 23 61.355 2.266 1.568 0.937 0.955 0.818 CB 1.639 23 residues pruned to eliminate duplicates Z: 41 73.672 2.216 1.179 0.864 1.000 0.600 C 1.769 41 residues pruned to eliminate duplicates Z: 23 41.937 2.169 0.983 0.933 1.000 0.909 CB 1.451 23 residues pruned to eliminate duplicates Z: 22 55.967 2.162 1.611 0.951 1.000 0.952 CB 1.491 22 residues pruned to eliminate duplicates Z: 12 27.947 2.071 1.019 0.885 1.000 0.818 CB 1.455 12 residues pruned to eliminate duplicates Z: 39 64.215 2.213 0.963 0.905 1.000 0.737 CB 1.707 39 residues pruned to eliminate duplicates Z: 47 57.980 2.250 1.045 0.650 0.957 0.717 CB 1.690 47 residues pruned to eliminate duplicates Z: 8 9.597 1.820 0.433 0.781 0.857 0.714 CB 1.267 8 residues pruned to eliminate duplicates Z: 8 24.658 2.177 0.886 0.896 1.000 1.000 CA 1.626 8 residues pruned to eliminate duplicates Z: 40 59.984 2.199 0.962 0.869 0.974 0.718 CB 1.669 40 residues pruned to eliminate duplicates Z: 18 42.170 2.254 1.005 0.913 1.000 0.706 CB 1.602 18 residues pruned to eliminate duplicates Z: 62 40.799 2.034 0.920 0.514 0.951 0.639 CB 1.388 60 residues pruned to eliminate duplicates Z: 41 38.796 2.108 0.942 0.630 0.950 0.675 CB 1.396 41 residues pruned to eliminate duplicates Z: 19 39.768 2.244 0.772 0.855 1.000 0.722 CB 1.740 19 residues pruned to eliminate duplicates Z: 19 45.620 2.249 0.938 0.876 1.000 0.833 C 1.792 19 residues pruned to eliminate duplicates Z: 26 45.297 2.189 0.826 0.877 0.960 0.800 CB 1.715 26 residues pruned to eliminate duplicates Z: 23 53.408 2.155 1.351 0.952 1.000 0.864 CB 1.548 26 residues pruned to eliminate duplicates Z: 18 36.891 2.155 0.958 0.883 0.941 0.706 CB 1.629 18 residues pruned to eliminate duplicates Z: 20 38.419 2.130 0.783 0.880 0.947 0.842 CA 1.776 19 residues pruned to eliminate duplicates Z: 18 44.475 2.292 0.924 0.897 0.941 0.765 CA 1.861 19 residues pruned to eliminate duplicates Z: 22 46.206 2.300 0.944 0.929 1.000 0.905 CB 1.579 22 residues pruned to eliminate duplicates Z: 20 37.091 2.069 0.956 0.892 1.000 0.789 CB 1.510 20 residues pruned to eliminate duplicates Z: 18 41.550 2.319 0.767 0.882 1.000 0.706 C 1.780 18 residues pruned to eliminate duplicates Z: 39 57.571 2.219 0.886 0.911 0.947 0.842 CB 1.669 39 residues pruned to eliminate duplicates Z: 37 48.287 2.116 1.118 0.650 0.972 0.694 CB 1.606 37 residues pruned to eliminate duplicates Z: 42 20.044 1.799 0.695 0.424 0.902 0.585 CB 1.231 17 residues pruned to eliminate duplicates Z: 25 37.212 2.219 0.608 0.847 0.958 0.792 CB 1.649 25 residues pruned to eliminate duplicates Z: 8 6.931 1.821 0.177 0.655 0.857 0.286 CB 1.234 8 residues pruned to eliminate duplicates Z: 9 20.781 2.059 0.640 0.796 1.000 0.875 CA 1.679 9 residues pruned to eliminate duplicates Z: 13 21.698 1.858 0.765 0.869 1.000 0.917 CB 1.395 13 residues pruned to eliminate duplicates Z: 19 48.944 2.206 1.224 0.891 1.000 0.778 CB 1.690 19 residues pruned to eliminate duplicates Z: 152 106.824 2.287 1.042 0.709 0.954 0.675 CB 1.615 155 residues pruned to eliminate duplicates Z: 17 27.381 2.067 0.612 0.902 0.938 0.812 CB 1.563 17 residues pruned to eliminate duplicates Z: 38 45.999 2.128 0.676 0.869 0.946 0.865 CB 1.637 38 residues pruned to eliminate duplicates Z: 38 49.783 2.233 0.616 0.889 0.973 0.811 CB 1.677 38 residues pruned to eliminate duplicates Z: 20 42.923 2.107 1.116 0.902 1.000 0.737 CB 1.576 20 residues pruned to eliminate duplicates Z: 13 19.023 1.890 0.603 0.894 0.917 0.833 CB 1.418 13 residues pruned to eliminate duplicates Z: 41 53.795 2.189 0.752 0.900 0.950 0.750 CB 1.667 41 residues pruned to eliminate duplicates Z: 40 56.199 2.214 0.841 0.870 0.949 0.718 CB 1.698 40 residues pruned to eliminate duplicates Z: 16 29.526 2.082 0.676 0.864 1.000 0.800 CB 1.602 16 residues pruned to eliminate duplicates Z: 20 47.465 2.153 1.237 0.898 1.000 0.842 CB 1.618 20 residues pruned to eliminate duplicates Z: 8 22.090 2.055 0.892 0.891 1.000 1.000 CB 1.543 8 residues pruned to eliminate duplicates Z: 8 18.584 2.131 0.809 0.842 0.857 0.714 C 1.584 8 residues pruned to eliminate duplicates Z: 18 47.636 2.278 0.969 0.910 1.000 0.824 CA 1.826 18 residues pruned to eliminate duplicates Z: 30 34.600 1.937 0.887 0.907 0.931 0.828 CB 1.342 20 residues pruned to eliminate duplicates Z: 44 50.748 2.193 0.931 0.676 0.930 0.744 CB 1.671 44 residues pruned to eliminate duplicates Z: 18 38.608 2.199 0.879 0.834 1.000 0.765 CB 1.698 18 residues pruned to eliminate duplicates Z: 39 55.403 2.195 0.740 0.910 1.000 0.763 CB 1.670 39 residues pruned to eliminate duplicates Z: 20 38.054 2.078 1.145 0.900 0.947 0.684 CB 1.477 20 residues pruned to eliminate duplicates Z: 13 17.259 1.847 0.625 0.903 0.917 0.917 CB 1.290 13 residues pruned to eliminate duplicates Z: 26 44.994 2.192 0.876 0.876 0.920 0.840 CA 1.729 26 residues pruned to eliminate duplicates Z: 18 49.302 2.351 1.153 0.913 0.941 0.647 CB 1.777 18 residues pruned to eliminate duplicates Z: 13 19.708 1.868 0.681 0.733 1.000 0.667 CA 1.470 13 residues pruned to eliminate duplicates Z: 29 18.690 1.937 0.541 0.425 0.857 0.571 CB 1.493 29 residues pruned to eliminate duplicates Z: 25 44.497 2.257 0.744 0.859 1.000 0.750 CB 1.698 25 residues pruned to eliminate duplicates Z: 60 44.759 2.116 0.759 0.548 0.949 0.610 CB 1.574 34 residues pruned to eliminate duplicates Z: 8 22.089 2.039 0.997 0.885 1.000 0.714 CA 1.480 8 residues pruned to eliminate duplicates Z: 22 42.072 2.235 0.750 0.877 0.952 0.857 CB 1.790 22 residues pruned to eliminate duplicates Z: 31 36.587 1.960 0.821 0.890 0.967 0.733 CB 1.394 31 residues pruned to eliminate duplicates Z: 26 17.114 1.833 0.678 0.452 0.920 0.680 CB 1.271 27 residues pruned to eliminate duplicates Z: 20 45.810 2.157 1.193 0.868 1.000 0.737 CB 1.624 20 residues pruned to eliminate duplicates Z: 35 50.978 2.158 1.252 0.660 0.971 0.735 CB 1.598 36 residues pruned to eliminate duplicates Z: 31 32.082 1.927 0.784 0.868 0.933 0.800 CB 1.335 31 residues pruned to eliminate duplicates Z: 24 44.770 2.173 1.007 0.917 0.957 0.870 CB 1.580 24 residues pruned to eliminate duplicates Z: 6 13.949 2.098 0.775 0.868 1.000 0.800 CB 1.225 6 residues pruned to eliminate duplicates Z: 10 21.894 2.131 0.739 0.839 0.889 0.778 CB 1.654 10 residues pruned to eliminate duplicates Z: 38 45.646 2.117 1.203 0.666 0.946 0.730 CB 1.458 38 residues pruned to eliminate duplicates Z: 30 35.476 2.000 0.824 0.885 0.897 0.690 CB 1.454 30 residues pruned to eliminate duplicates Z: 21 33.602 2.161 0.482 0.932 1.000 1.000 CB 1.639 21 residues pruned to eliminate duplicates Z: 41 55.758 2.172 0.818 0.897 0.925 0.750 CB 1.727 41 residues pruned to eliminate duplicates Z: 39 57.918 2.176 0.892 0.918 0.974 0.816 CB 1.653 39 residues pruned to eliminate duplicates Z: 41 55.372 2.161 1.217 0.656 0.975 0.750 CB 1.621 41 residues pruned to eliminate duplicates Z: 19 32.966 2.134 0.811 0.877 0.944 0.722 CB 1.546 19 residues pruned to eliminate duplicates Z: 20 33.619 2.082 0.975 0.864 1.000 0.789 CB 1.375 20 residues pruned to eliminate duplicates Z: 8 11.172 1.869 0.626 0.470 1.000 0.714 CB 1.432 8 residues pruned to eliminate duplicates Z: 14 25.754 1.832 0.927 0.885 1.000 0.923 CB 1.462 14 residues pruned to eliminate duplicates Z: 24 38.480 2.293 0.426 0.904 0.957 0.739 CB 1.827 24 residues pruned to eliminate duplicates Z: 6 16.427 2.175 0.579 0.866 1.000 1.000 CB 1.566 6 residues pruned to eliminate duplicates Z: 15 26.909 1.899 1.025 0.872 0.929 0.857 CB 1.468 15 residues pruned to eliminate duplicates Z: 23 43.387 2.246 0.983 0.934 0.955 0.909 CB 1.517 23 residues pruned to eliminate duplicates Z: 12 29.118 2.103 0.948 0.863 1.000 0.909 CB 1.572 12 residues pruned to eliminate duplicates Z: 40 53.208 2.246 0.598 0.879 0.974 0.795 CB 1.767 40 residues pruned to eliminate duplicates Z: 39 57.956 2.215 0.836 0.876 1.000 0.842 CB 1.680 39 residues pruned to eliminate duplicates Z: 20 47.516 2.159 1.234 0.898 1.000 0.842 CB 1.617 20 residues pruned to eliminate duplicates Z: 12 19.745 2.171 0.865 0.619 0.818 0.364 CB 1.607 12 residues pruned to eliminate duplicates Z: 18 30.916 2.224 0.891 0.602 0.941 0.647 CA 1.720 18 residues pruned to eliminate duplicates Z: 17 29.338 2.100 0.747 0.871 0.938 0.750 CB 1.555 17 residues pruned to eliminate duplicates Z: 37 45.762 2.267 0.812 0.674 0.917 0.806 CB 1.725 37 residues pruned to eliminate duplicates Z: 35 53.731 2.219 0.758 0.903 0.971 0.824 CB 1.735 35 residues pruned to eliminate duplicates Z: 19 46.473 2.251 0.968 0.882 1.000 0.889 C 1.788 19 residues pruned to eliminate duplicates Z: 43 52.654 2.213 0.885 0.677 0.929 0.786 CB 1.783 43 residues pruned to eliminate duplicates Z: 25 47.230 2.153 1.268 0.915 0.958 0.708 CB 1.456 25 residues pruned to eliminate duplicates Z: 32 39.772 2.085 0.824 0.673 0.935 0.677 CB 1.712 32 residues pruned to eliminate duplicates Z: 40 57.444 2.230 0.858 0.857 0.949 0.872 CB 1.724 40 residues pruned to eliminate duplicates Z: 17 33.526 2.105 0.818 0.884 1.000 0.688 CB 1.583 17 residues pruned to eliminate duplicates Z: 45 48.065 2.188 0.841 0.618 0.977 0.727 CB 1.646 45 residues pruned to eliminate duplicates Z: 41 46.928 2.168 0.456 0.919 0.975 0.850 CB 1.700 41 residues pruned to eliminate duplicates Z: 37 36.033 2.107 0.550 0.676 0.944 0.778 CB 1.656 37 residues pruned to eliminate duplicates Z: 14 19.088 1.810 0.720 0.901 0.923 0.846 CB 1.315 14 residues pruned to eliminate duplicates Z: 30 37.036 1.909 1.055 0.881 0.931 0.655 CB 1.364 30 residues pruned to eliminate duplicates Z: 43 58.689 2.248 0.912 0.717 0.976 0.738 CB 1.773 43 residues pruned to eliminate duplicates Z: 16 31.372 2.110 0.850 0.858 1.000 0.733 CB 1.528 16 residues pruned to eliminate duplicates Z: 12 13.992 1.720 0.311 0.918 1.000 0.818 CB 1.319 12 residues pruned to eliminate duplicates Z: 22 35.793 2.079 0.929 0.850 1.000 0.714 CB 1.442 22 residues pruned to eliminate duplicates Z: 101 68.396 2.133 1.010 0.592 0.920 0.720 CB 1.588 103 residues pruned to eliminate duplicates Z: 17 39.838 2.388 0.621 0.864 1.000 0.750 CB 1.886 17 residues pruned to eliminate duplicates Z: 15 15.128 1.788 0.905 0.491 1.000 0.571 CB 1.197 15 residues pruned to eliminate duplicates Z: 35 55.990 2.215 0.853 0.901 0.971 0.706 CB 1.720 35 residues pruned to eliminate duplicates Z: 29 12.960 1.771 0.549 0.402 0.893 0.643 CB 1.109 29 residues pruned to eliminate duplicates Z: 58 37.907 2.052 0.686 0.550 0.877 0.684 CB 1.576 44 residues pruned to eliminate duplicates Z: 13 29.569 2.167 0.927 0.725 1.000 1.000 CA 1.669 13 residues pruned to eliminate duplicates Z: 40 66.369 2.226 0.971 0.908 1.000 0.744 CB 1.721 40 residues pruned to eliminate duplicates Z: 32 38.683 2.103 1.145 0.640 0.968 0.613 CB 1.396 32 residues pruned to eliminate duplicates Z: 17 27.185 2.079 0.472 0.914 1.000 0.875 CB 1.570 17 residues pruned to eliminate duplicates Z: 24 44.546 2.307 0.657 0.873 0.957 0.783 CB 1.850 24 residues pruned to eliminate duplicates Z: 47 51.556 2.149 1.082 0.629 0.935 0.696 CB 1.610 47 residues pruned to eliminate duplicates Z: 20 34.585 2.086 1.075 0.874 0.895 0.684 CB 1.491 20 residues pruned to eliminate duplicates Z: 25 41.027 2.189 0.554 0.880 1.000 0.792 CB 1.785 25 residues pruned to eliminate duplicates Z: 16 46.576 2.439 0.919 0.878 1.000 0.867 CB 1.864 16 residues pruned to eliminate duplicates Z: 8 10.859 1.930 0.696 0.591 0.857 0.857 CA 1.342 8 residues pruned to eliminate duplicates Z: 27 25.380 2.009 0.847 0.452 0.923 0.615 CB 1.526 27 residues pruned to eliminate duplicates Z: 20 32.299 2.049 0.788 0.894 0.947 0.789 CB 1.532 18 residues pruned to eliminate duplicates Z: 19 40.860 2.132 0.900 0.913 1.000 0.722 C 1.682 19 residues pruned to eliminate duplicates Z: 22 58.213 2.330 1.476 0.956 0.952 0.952 CB 1.588 22 residues pruned to eliminate duplicates Z: 24 39.374 2.238 0.570 0.889 1.000 0.783 CB 1.682 24 residues pruned to eliminate duplicates Z: 19 50.115 2.195 1.276 0.911 1.000 0.778 CB 1.676 29 residues pruned to eliminate duplicates Z: 18 34.879 2.233 0.497 0.900 1.000 0.824 CA 1.807 18 residues pruned to eliminate duplicates Z: 19 31.493 2.141 0.785 0.896 0.944 0.833 CB 1.474 19 residues pruned to eliminate duplicates Z: 17 27.903 2.070 0.590 0.871 1.000 0.812 CB 1.545 17 residues pruned to eliminate duplicates Z: 27 14.112 1.866 0.545 0.447 0.846 0.654 CB 1.199 27 residues pruned to eliminate duplicates Z: 12 25.419 1.970 0.880 0.937 1.000 1.000 CB 1.440 12 residues pruned to eliminate duplicates Z: 30 30.681 1.910 0.748 0.857 0.897 0.724 CB 1.403 30 residues pruned to eliminate duplicates Z: 22 44.805 2.281 1.034 0.919 1.000 0.905 CB 1.485 22 residues pruned to eliminate duplicates Z: 37 39.107 1.937 0.789 0.781 1.000 0.778 CB 1.468 31 residues pruned to eliminate duplicates Z: 17 34.210 2.118 0.873 0.881 1.000 0.875 CB 1.561 17 residues pruned to eliminate duplicates Z: 18 20.018 2.079 0.178 0.942 1.000 0.941 CB 1.375 18 residues pruned to eliminate duplicates Z: 34 61.705 2.248 1.014 0.912 1.000 0.818 CB 1.680 34 residues pruned to eliminate duplicates Z: 10 21.526 1.927 1.207 0.866 0.889 0.889 CB 1.389 10 residues pruned to eliminate duplicates Z: 10 17.930 1.899 0.726 0.698 1.000 0.778 CA 1.521 10 residues pruned to eliminate duplicates Z: 11 25.159 2.197 0.534 0.810 1.000 0.700 CB 1.802 11 residues pruned to eliminate duplicates Z: 24 39.734 2.284 0.589 0.853 0.957 0.739 CB 1.764 24 residues pruned to eliminate duplicates Z: 19 40.793 2.126 1.034 0.922 0.944 0.667 C 1.656 19 residues pruned to eliminate duplicates Z: 14 41.798 2.346 0.964 0.940 1.000 1.000 C 1.747 14 residues pruned to eliminate duplicates Z: 46 53.969 2.164 0.972 0.652 0.956 0.667 CB 1.712 46 residues pruned to eliminate duplicates Z: 28 46.090 2.263 0.871 0.728 0.963 0.778 CB 1.771 28 residues pruned to eliminate duplicates Z: 43 35.819 2.167 0.650 0.601 0.857 0.595 CB 1.638 43 residues pruned to eliminate duplicates Z: 37 27.329 2.127 0.559 0.519 0.889 0.472 CB 1.516 40 residues pruned to eliminate duplicates Z: 36 51.102 2.118 1.208 0.663 0.971 0.686 CB 1.635 36 residues pruned to eliminate duplicates Z: 25 29.412 2.011 1.021 0.628 0.958 0.625 CB 1.367 25 residues pruned to eliminate duplicates Z: 43 49.569 2.213 0.760 0.690 0.952 0.810 CB 1.733 43 residues pruned to eliminate duplicates Z: 18 50.946 2.217 1.437 0.924 0.941 0.529 CB 1.706 18 residues pruned to eliminate duplicates Z: 22 42.213 2.220 0.686 0.881 1.000 0.762 CA 1.782 22 residues pruned to eliminate duplicates Z: 19 32.509 2.187 0.743 0.923 0.889 0.722 CB 1.588 19 residues pruned to eliminate duplicates Z: 18 43.594 2.187 1.122 0.882 1.000 0.824 CB 1.648 24 residues pruned to eliminate duplicates Z: 91 52.609 2.089 0.850 0.606 0.878 0.633 CB 1.478 139 residues pruned to eliminate duplicates Z: 35 45.532 2.214 0.491 0.901 0.971 0.912 CB 1.740 35 residues pruned to eliminate duplicates Z: 18 30.526 2.267 0.523 0.833 0.941 0.647 CB 1.709 18 residues pruned to eliminate duplicates Z: 14 26.133 1.827 1.055 0.926 0.923 0.769 CA 1.467 14 residues pruned to eliminate duplicates Z: 6 17.159 2.131 0.713 0.842 1.000 1.000 CB 1.567 6 residues pruned to eliminate duplicates Z: 18 47.413 2.241 1.047 0.929 1.000 0.882 CB 1.755 18 residues pruned to eliminate duplicates Z: 7 12.547 2.012 0.765 0.847 0.833 0.833 CB 1.285 7 residues pruned to eliminate duplicates Z: 17 28.355 2.003 0.889 0.831 0.938 0.625 CB 1.502 17 residues pruned to eliminate duplicates Z: 34 47.570 2.245 0.547 0.927 0.970 0.970 CB 1.724 34 residues pruned to eliminate duplicates Z: 30 34.911 1.927 1.005 0.882 0.862 0.690 CB 1.409 20 residues pruned to eliminate duplicates Z: 9 6.805 1.591 0.507 0.778 0.750 0.500 CB 1.047 Z: 6 18.535 2.049 0.923 0.816 1.000 0.800 CB 1.599 6 residues pruned to eliminate duplicates Z: 9 7.795 1.727 0.244 0.750 0.875 0.750 CA 1.173 9 residues pruned to eliminate duplicates Z: 7 4.594 1.881 0.153 0.625 0.833 0.667 CB 0.922 7 residues pruned to eliminate duplicates Z: 20 35.887 2.234 0.786 0.890 0.947 0.842 CB 1.567 20 residues pruned to eliminate duplicates Z: 10 22.423 2.011 1.453 0.658 0.889 0.778 CA 1.472 10 residues pruned to eliminate duplicates Z: 18 27.931 2.113 0.550 0.869 1.000 0.765 CB 1.511 18 residues pruned to eliminate duplicates Z: 22 33.378 2.045 0.803 0.857 0.952 0.714 CB 1.529 22 residues pruned to eliminate duplicates Z: 33 53.703 2.220 0.793 0.925 1.000 0.844 CB 1.674 33 residues pruned to eliminate duplicates Z: 12 14.073 1.936 0.539 0.634 0.909 0.545 CA 1.381 12 residues pruned to eliminate duplicates Z: 15 18.528 1.765 0.770 0.837 0.857 0.857 CB 1.383 15 residues pruned to eliminate duplicates Z: 23 27.950 2.065 0.802 0.560 0.909 0.682 C 1.662 18 residues pruned to eliminate duplicates Z: 36 16.063 1.847 0.622 0.392 0.886 0.657 CB 1.148 26 residues pruned to eliminate duplicates Z: 19 30.331 2.128 0.812 0.878 0.889 0.833 CB 1.513 19 residues pruned to eliminate duplicates Z: 38 42.721 2.217 0.414 0.876 0.973 0.946 CB 1.674 38 residues pruned to eliminate duplicates Z: 23 43.323 2.207 0.928 0.939 1.000 0.955 CB 1.509 23 residues pruned to eliminate duplicates Z: 14 21.772 2.079 0.798 0.745 1.000 0.692 CB 1.297 14 residues pruned to eliminate duplicates Z: 48 36.510 2.152 0.676 0.626 0.851 0.617 CB 1.540 48 residues pruned to eliminate duplicates Z: 19 32.231 2.178 0.791 0.677 0.944 0.833 C 1.753 23 residues pruned to eliminate duplicates Z: 8 3.108 1.760 0.368 0.355 0.714 0.429 CB 0.799 8 residues pruned to eliminate duplicates Z: 38 27.694 1.890 0.925 0.528 0.919 0.622 CB 1.324 38 residues pruned to eliminate duplicates Z: 30 18.953 1.890 0.574 0.418 0.897 0.690 CB 1.437 30 residues pruned to eliminate duplicates Z: 6 9.347 2.298 -0.239 0.838 1.000 0.800 CB 1.787 6 residues pruned to eliminate duplicates Z: 53 39.092 2.139 0.568 0.570 0.962 0.673 CB 1.570 53 residues pruned to eliminate duplicates Z: 19 29.466 2.093 0.714 0.672 0.944 0.889 CA 1.749 19 residues pruned to eliminate duplicates Z: 20 36.832 2.088 0.959 0.907 1.000 0.947 CB 1.468 20 residues pruned to eliminate duplicates Z: 44 52.969 2.239 0.994 0.677 0.907 0.791 CB 1.695 44 residues pruned to eliminate duplicates Z: 16 16.538 2.043 0.596 0.548 0.800 0.733 CB 1.561 16 residues pruned to eliminate duplicates Z: 12 33.425 2.275 0.960 0.916 0.909 0.818 CB 1.756 12 residues pruned to eliminate duplicates Z: 26 47.676 2.153 0.946 0.837 0.960 0.640 CB 1.773 Z: 8 9.927 1.917 0.294 0.673 1.000 0.857 CB 1.289 8 residues pruned to eliminate duplicates Z: 6 6.704 1.638 0.313 0.878 0.800 0.400 CA 1.264 6 residues pruned to eliminate duplicates Z: 6 4.440 1.859 0.634 0.448 0.600 0.600 CB 1.149 6 residues pruned to eliminate duplicates Z: 27 16.437 1.789 0.617 0.479 0.962 0.731 CB 1.184 27 residues pruned to eliminate duplicates Z: 8 8.376 1.802 0.482 0.811 1.000 0.857 CB 0.904 8 residues pruned to eliminate duplicates Z: 153 103.808 2.262 0.947 0.707 0.961 0.704 CB 1.648 153 residues pruned to eliminate duplicates Z: 54 41.915 2.182 0.904 0.542 0.887 0.547 CB 1.500 54 residues pruned to eliminate duplicates Z: 6 4.891 1.666 -0.068 0.745 1.000 0.600 CB 1.132 6 residues pruned to eliminate duplicates Z: 40 59.021 2.249 0.748 0.893 0.974 0.846 CB 1.771 40 residues pruned to eliminate duplicates Z: 7 11.023 1.646 0.727 0.848 1.000 1.000 CA 1.174 8 residues pruned to eliminate duplicates Z: 9 23.921 2.195 1.155 0.599 1.000 0.875 CA 1.626 9 residues pruned to eliminate duplicates Z: 40 53.176 2.189 0.713 0.897 1.000 0.795 CB 1.626 40 residues pruned to eliminate duplicates Z: 23 51.412 2.271 1.285 0.937 1.000 0.955 CB 1.470 23 residues pruned to eliminate duplicates Z: 46 43.002 2.141 0.877 0.599 0.889 0.689 CB 1.633 46 residues pruned to eliminate duplicates Z: 7 9.043 1.935 0.550 0.630 0.833 0.667 CB 1.308 7 residues pruned to eliminate duplicates Z: 19 32.836 2.115 0.781 0.878 1.000 0.722 CB 1.491 19 residues pruned to eliminate duplicates Z: 24 51.428 2.203 1.352 0.930 0.957 0.870 CB 1.513 24 residues pruned to eliminate duplicates Z: 22 56.838 2.273 1.499 0.956 0.952 0.762 CB 1.575 22 residues pruned to eliminate duplicates Z: 29 36.855 2.156 0.714 0.715 0.893 0.750 CB 1.738 29 residues pruned to eliminate duplicates Z: 30 37.194 1.982 0.748 0.875 1.000 0.759 CB 1.450 30 residues pruned to eliminate duplicates Z: 13 12.682 1.616 0.472 0.870 0.917 0.667 CA 1.225 13 residues pruned to eliminate duplicates Z: 40 69.049 2.242 1.039 0.892 1.000 0.667 CB 1.737 40 residues pruned to eliminate duplicates Z: 26 25.417 1.958 0.843 0.525 0.920 0.720 CB 1.494 28 residues pruned to eliminate duplicates Z: 35 45.701 2.163 0.524 0.933 1.000 1.000 CB 1.660 35 residues pruned to eliminate duplicates Z: 20 36.154 2.086 1.058 0.884 1.000 0.789 CB 1.396 20 residues pruned to eliminate duplicates Z: 18 36.952 2.324 0.630 0.879 1.000 0.706 CB 1.715 18 residues pruned to eliminate duplicates Z: 18 36.274 2.160 1.205 0.909 0.882 0.706 CB 1.486 18 residues pruned to eliminate duplicates Z: 23 47.893 2.196 1.289 0.932 1.000 0.773 CB 1.419 23 residues pruned to eliminate duplicates Z: 15 11.403 1.595 0.829 0.444 0.929 0.643 CB 1.192 15 residues pruned to eliminate duplicates Z: 16 28.468 2.031 0.796 0.859 1.000 0.733 CB 1.482 16 residues pruned to eliminate duplicates Z: 6 4.358 1.677 -0.189 0.783 1.000 0.600 CB 1.117 6 residues pruned to eliminate duplicates Z: 7 8.798 1.967 0.021 0.720 1.000 0.833 CB 1.466 7 residues pruned to eliminate duplicates Z: 27 37.951 2.150 1.098 0.614 1.000 0.615 CB 1.481 27 residues pruned to eliminate duplicates Z: 13 25.196 1.866 0.879 0.887 1.000 0.667 CB 1.496 13 residues pruned to eliminate duplicates Z: 54 53.242 2.279 0.594 0.744 0.943 0.774 CB 1.715 54 residues pruned to eliminate duplicates Z: 8 14.503 2.020 0.326 0.845 1.000 0.714 CA 1.522 8 residues pruned to eliminate duplicates Z: 37 51.640 2.248 0.961 0.670 0.944 0.722 CB 1.766 36 residues pruned to eliminate duplicates Z: 9 9.467 1.633 0.761 0.802 0.875 0.875 CB 1.022 9 residues pruned to eliminate duplicates Z: 25 18.270 1.859 0.665 0.517 0.958 0.833 CB 1.236 25 residues pruned to eliminate duplicates Z: 7 4.402 1.556 0.120 0.814 0.667 0.500 CB 1.176 7 residues pruned to eliminate duplicates Z: 25 45.501 2.189 0.792 0.894 0.958 0.792 CA 1.772 25 residues pruned to eliminate duplicates Z: 20 40.747 2.107 1.171 0.898 1.000 0.842 CB 1.462 20 residues pruned to eliminate duplicates Z: 67 71.655 2.228 1.070 0.781 0.924 0.727 CB 1.615 67 residues pruned to eliminate duplicates Z: 12 14.088 1.707 1.084 0.551 0.818 0.636 C 1.388 12 residues pruned to eliminate duplicates Z: 6 5.501 1.631 0.001 0.837 1.000 0.600 CB 1.127 6 residues pruned to eliminate duplicates Z: 10 16.915 1.957 0.399 0.822 1.000 0.778 CB 1.558 10 residues pruned to eliminate duplicates Z: 19 40.826 2.209 1.158 0.884 0.944 0.778 CB 1.545 19 residues pruned to eliminate duplicates Z: 20 25.116 2.116 0.859 0.545 0.895 0.684 CB 1.566 20 residues pruned to eliminate duplicates Z: 8 12.132 1.963 0.307 0.838 0.857 0.714 CB 1.558 8 residues pruned to eliminate duplicates Z: 22 14.884 2.171 0.502 0.418 0.714 0.476 CB 1.519 22 residues pruned to eliminate duplicates Z: 31 34.255 1.930 0.860 0.878 0.967 0.700 CB 1.307 32 residues pruned to eliminate duplicates Z: 7 10.207 1.927 0.469 0.509 1.000 0.667 CB 1.459 7 residues pruned to eliminate duplicates Z: 18 27.501 2.086 0.504 0.852 1.000 0.882 CB 1.573 18 residues pruned to eliminate duplicates Z: 22 59.789 2.216 1.467 0.966 1.000 0.857 CB 1.628 22 residues pruned to eliminate duplicates Z: 20 29.552 2.038 0.814 0.915 1.000 0.789 CB 1.296 20 residues pruned to eliminate duplicates Z: 25 42.067 2.269 0.485 0.892 1.000 0.833 CA 1.830 25 residues pruned to eliminate duplicates Z: 8 5.003 1.521 0.623 0.399 0.857 0.571 CA 0.995 8 residues pruned to eliminate duplicates Z: 7 22.006 2.282 0.807 0.854 1.000 0.500 CA 1.610 7 residues pruned to eliminate duplicates Z: 8 5.802 1.820 0.201 0.653 0.857 0.571 CB 1.015 8 residues pruned to eliminate duplicates Z: 17 30.266 2.108 0.850 0.765 0.938 0.625 CB 1.636 17 residues pruned to eliminate duplicates Z: 8 21.950 1.953 1.089 0.750 1.000 1.000 CB 1.627 9 residues pruned to eliminate duplicates Z: 45 35.317 1.971 0.829 0.641 0.932 0.727 CB 1.389 45 residues pruned to eliminate duplicates Z: 33 44.851 2.248 0.496 0.935 1.000 1.000 CB 1.643 33 residues pruned to eliminate duplicates Z: 30 29.169 1.880 0.701 0.896 0.931 0.759 CB 1.303 30 residues pruned to eliminate duplicates Z: 6 17.036 2.379 0.258 0.869 1.000 0.800 C 1.860 6 residues pruned to eliminate duplicates Z: 10 18.032 1.913 0.524 0.822 1.000 1.000 CB 1.559 10 residues pruned to eliminate duplicates Z: 25 39.603 2.150 1.147 0.714 0.958 0.667 CB 1.506 25 residues pruned to eliminate duplicates Z: 12 15.806 1.699 0.482 0.916 1.000 0.818 CB 1.337 12 residues pruned to eliminate duplicates Z: 23 48.039 2.123 1.121 0.946 1.000 0.864 CB 1.573 23 residues pruned to eliminate duplicates Z: 74 70.789 2.184 0.976 0.772 0.973 0.781 CB 1.551 76 residues pruned to eliminate duplicates Z: 13 26.066 2.249 0.592 0.731 1.000 0.583 CB 1.707 13 residues pruned to eliminate duplicates Z: 74 85.695 2.201 1.262 0.769 0.973 0.781 CB 1.632 74 residues pruned to eliminate duplicates Z: 23 57.620 2.141 1.550 0.946 1.000 0.818 CB 1.556 23 residues pruned to eliminate duplicates Z: 9 9.977 1.793 0.559 0.596 0.875 0.375 CA 1.316 9 residues pruned to eliminate duplicates Z: 41 34.702 2.067 0.654 0.595 0.900 0.600 CB 1.628 29 residues pruned to eliminate duplicates Z: 9 7.505 1.724 0.547 0.401 0.875 0.625 CB 1.262 9 residues pruned to eliminate duplicates Z: 10 28.767 2.273 1.004 0.816 0.889 0.556 CB 1.799 10 residues pruned to eliminate duplicates Z: 18 14.449 1.808 0.855 0.497 0.824 0.588 CB 1.273 18 residues pruned to eliminate duplicates Z: 21 10.689 1.696 0.552 0.395 0.950 0.650 CB 1.068 21 residues pruned to eliminate duplicates Z: 36 54.877 2.276 0.976 0.701 0.971 0.771 CB 1.768 36 residues pruned to eliminate duplicates Z: 8 7.574 1.770 -0.028 0.891 1.000 1.000 CB 1.197 8 residues pruned to eliminate duplicates Z: 13 7.120 1.798 0.331 0.342 0.750 0.583 CB 1.360 13 residues pruned to eliminate duplicates Z: 26 40.061 2.076 1.242 0.678 0.960 0.560 CB 1.522 26 residues pruned to eliminate duplicates Z: 46 54.355 2.235 1.056 0.639 0.978 0.578 CB 1.583 46 residues pruned to eliminate duplicates Z: 6 11.786 2.124 0.712 0.784 0.800 0.800 CB 1.411 6 residues pruned to eliminate duplicates Z: 9 11.242 1.642 0.644 0.823 1.000 0.875 CB 1.113 9 residues pruned to eliminate duplicates Z: 13 10.035 1.551 0.048 0.918 1.000 0.917 CA 1.256 13 residues pruned to eliminate duplicates Z: 40 53.539 2.215 0.624 0.884 1.000 0.897 CB 1.722 40 residues pruned to eliminate duplicates Z: 31 33.872 2.058 0.835 0.638 0.900 0.700 CB 1.598 31 residues pruned to eliminate duplicates Z: 32 23.366 1.879 0.639 0.625 1.000 0.677 CB 1.212 32 residues pruned to eliminate duplicates Z: 11 18.484 1.902 0.665 0.888 1.000 0.900 CA 1.330 11 residues pruned to eliminate duplicates Z: 7 8.181 1.917 0.002 0.850 0.833 0.667 C 1.546 7 residues pruned to eliminate duplicates Z: 9 8.456 1.650 0.814 0.482 1.000 0.500 CB 1.017 9 residues pruned to eliminate duplicates Z: 17 31.063 2.096 0.635 0.899 1.000 0.688 CA 1.619 17 residues pruned to eliminate duplicates Z: 54 56.877 2.274 0.935 0.613 0.962 0.642 CB 1.657 54 residues pruned to eliminate duplicates Z: 13 16.793 1.888 0.294 0.871 1.000 0.917 CB 1.446 13 residues pruned to eliminate duplicates Z: 20 37.233 2.239 0.863 0.914 1.000 0.895 CB 1.447 20 residues pruned to eliminate duplicates Z: 24 32.950 2.270 0.366 0.878 0.913 0.870 CB 1.761 24 residues pruned to eliminate duplicates Z: 22 36.089 2.135 0.735 0.947 1.000 0.905 CB 1.470 22 residues pruned to eliminate duplicates Z: 22 47.674 2.238 0.832 0.875 1.000 0.905 CA 1.846 22 residues pruned to eliminate duplicates Z: 39 43.458 2.174 0.481 0.882 1.000 0.868 CB 1.584 39 residues pruned to eliminate duplicates Z: 20 41.082 2.294 0.843 0.915 1.000 0.895 CB 1.575 20 residues pruned to eliminate duplicates Z: 91 88.148 2.236 1.086 0.797 0.967 0.778 CB 1.589 91 residues pruned to eliminate duplicates Z: 77 84.876 2.260 1.123 0.763 0.974 0.750 CB 1.650 77 residues pruned to eliminate duplicates Z: 9 11.128 1.794 0.611 0.757 0.750 0.625 CA 1.444 9 residues pruned to eliminate duplicates Z: 17 44.466 2.342 1.028 0.879 0.938 0.812 C 1.811 17 residues pruned to eliminate duplicates Z: 39 59.028 2.192 0.916 0.877 1.000 0.711 CB 1.656 39 residues pruned to eliminate duplicates Z: 17 25.694 2.291 1.016 0.675 0.875 0.875 CB 1.353 17 residues pruned to eliminate duplicates Z: 44 54.109 2.264 1.018 0.631 0.953 0.651 CB 1.675 44 residues pruned to eliminate duplicates Z: 7 17.520 2.026 0.609 0.861 1.000 0.833 CA 1.613 7 residues pruned to eliminate duplicates Z: 17 31.450 2.097 0.842 0.884 0.938 0.812 CB 1.569 17 residues pruned to eliminate duplicates Z: 110 88.934 2.249 1.038 0.751 0.936 0.688 CB 1.587 110 residues pruned to eliminate duplicates Z: 46 58.432 2.267 1.009 0.654 0.978 0.756 CB 1.694 46 residues pruned to eliminate duplicates Z: 34 42.154 2.192 1.149 0.699 0.909 0.727 CB 1.430 34 residues pruned to eliminate duplicates Z: 24 32.464 2.192 0.592 0.823 0.826 0.652 CA 1.775 24 residues pruned to eliminate duplicates Z: 8 13.785 1.998 0.494 0.786 0.857 0.857 CA 1.584 8 residues pruned to eliminate duplicates Z: 29 42.741 2.202 0.853 0.731 0.929 0.786 CB 1.731 29 residues pruned to eliminate duplicates Z: 22 13.330 1.873 0.421 0.392 0.952 0.619 CB 1.286 22 residues pruned to eliminate duplicates Z: 33 38.006 2.214 0.596 0.666 0.969 0.781 CB 1.684 33 residues pruned to eliminate duplicates Z: 41 69.191 2.214 1.099 0.886 0.975 0.800 CB 1.741 41 residues pruned to eliminate duplicates 6 1.980 1.545 0.209 0.429 0.600 0.600 CA 0.850 ? Z: 42 58.672 2.300 0.906 0.702 0.976 0.805 CB 1.782 42 residues pruned to eliminate duplicates Z: 23 54.296 2.148 1.523 0.944 0.955 0.818 CB 1.549 23 residues pruned to eliminate duplicates Z: 11 3.918 1.871 0.353 0.185 0.800 0.400 CB 0.893 4 residues pruned to eliminate duplicates Z: 10 9.798 1.585 0.525 0.918 1.000 0.667 CB 0.953 10 residues pruned to eliminate duplicates Z: 14 24.290 1.806 1.004 0.900 0.923 0.769 CA 1.440 14 residues pruned to eliminate duplicates Z: 17 31.439 2.065 0.807 0.874 1.000 0.750 CB 1.533 17 residues pruned to eliminate duplicates Z: 7 7.782 1.676 0.533 0.546 1.000 0.500 CA 1.182 Z: 18 14.307 1.927 0.594 0.436 0.882 0.647 CB 1.369 18 residues pruned to eliminate duplicates Z: 43 47.745 2.189 0.862 0.679 0.952 0.762 CB 1.610 43 residues pruned to eliminate duplicates Z: 89 93.019 2.286 1.133 0.777 0.966 0.773 CB 1.649 96 residues pruned to eliminate duplicates Z: 17 10.984 1.676 0.553 0.515 0.938 0.562 CB 1.109 17 residues pruned to eliminate duplicates Z: 6 7.231 1.658 0.479 0.491 1.000 0.600 CA 1.330 6 residues pruned to eliminate duplicates Z: 24 33.879 2.185 0.425 0.833 0.957 0.870 CB 1.780 24 residues pruned to eliminate duplicates Z: 12 15.582 1.722 0.405 0.912 1.000 0.909 CB 1.375 12 residues pruned to eliminate duplicates Z: 9 12.212 2.001 1.042 0.488 0.875 0.625 CA 1.222 9 residues pruned to eliminate duplicates Z: 14 31.282 2.116 0.811 0.926 1.000 0.923 CB 1.588 14 residues pruned to eliminate duplicates Z: 26 17.618 1.883 0.698 0.507 0.920 0.760 CB 1.189 26 residues pruned to eliminate duplicates Z: 23 49.088 2.092 1.385 0.931 0.955 0.682 CB 1.535 23 residues pruned to eliminate duplicates Z: 11 16.091 1.801 0.388 0.929 1.000 0.800 CB 1.425 11 residues pruned to eliminate duplicates Z: 13 9.986 1.616 0.240 0.883 0.917 0.667 CB 1.135 13 residues pruned to eliminate duplicates Z: 12 22.066 1.923 0.888 0.626 1.000 0.818 CA 1.627 12 residues pruned to eliminate duplicates Z: 16 26.282 2.029 1.021 0.605 0.933 0.800 CA 1.605 16 residues pruned to eliminate duplicates Z: 64 67.859 2.248 0.902 0.762 0.984 0.794 CB 1.610 64 residues pruned to eliminate duplicates Z: 14 21.387 1.740 0.945 0.883 1.000 0.846 CB 1.267 14 residues pruned to eliminate duplicates Z: 7 12.223 1.892 0.242 0.834 1.000 0.667 CB 1.591 7 residues pruned to eliminate duplicates Z: 8 8.220 2.031 0.171 0.606 0.857 0.714 CB 1.377 8 residues pruned to eliminate duplicates Z: 11 16.691 1.835 0.863 0.638 0.900 0.800 C 1.507 11 residues pruned to eliminate duplicates Z: 70 76.390 2.166 1.078 0.802 1.000 0.768 CB 1.569 70 residues pruned to eliminate duplicates Z: 9 15.602 2.101 0.486 0.810 1.000 0.625 CB 1.349 9 residues pruned to eliminate duplicates Z: 9 12.168 1.679 0.759 0.797 1.000 0.875 CB 1.123 9 residues pruned to eliminate duplicates Z: 22 46.124 2.335 0.889 0.937 1.000 0.952 CB 1.588 22 residues pruned to eliminate duplicates Z: 10 8.968 2.057 0.548 0.276 0.889 0.444 CA 1.361 10 residues pruned to eliminate duplicates Z: 107 88.845 2.185 1.094 0.726 0.953 0.708 CB 1.614 107 residues pruned to eliminate duplicates Z: 52 66.103 2.329 1.140 0.755 0.980 0.804 CB 1.509 51 residues pruned to eliminate duplicates Z: 44 52.416 2.183 0.970 0.617 1.000 0.628 CB 1.665 44 residues pruned to eliminate duplicates Z: 14 27.808 1.933 0.880 0.886 1.000 0.846 C 1.532 14 residues pruned to eliminate duplicates Z: 23 17.870 1.845 0.589 0.494 0.909 0.682 CB 1.437 23 residues pruned to eliminate duplicates Z: 47 28.379 1.918 0.745 0.420 0.913 0.500 CB 1.488 47 residues pruned to eliminate duplicates Z: 26 24.034 2.025 0.800 0.485 0.920 0.640 CB 1.455 26 residues pruned to eliminate duplicates Z: 46 43.194 1.981 0.997 0.629 0.978 0.711 CB 1.475 46 residues pruned to eliminate duplicates Z: 6 4.267 1.434 0.783 0.623 0.800 0.400 CB 0.830 6 residues pruned to eliminate duplicates Z: 19 8.363 1.735 0.414 0.347 0.833 0.556 CB 1.140 19 residues pruned to eliminate duplicates Z: 8 7.679 1.676 0.514 0.551 1.000 0.571 CA 1.088 7 residues pruned to eliminate duplicates Z: 11 11.487 1.555 0.609 0.923 1.000 0.600 CB 1.020 11 residues pruned to eliminate duplicates Z: 39 63.259 2.208 1.059 0.903 0.947 0.763 CB 1.698 39 residues pruned to eliminate duplicates Z: 12 35.724 2.183 1.125 0.936 1.000 1.000 C 1.617 12 residues pruned to eliminate duplicates Z: 10 12.935 1.942 1.129 0.467 0.889 0.667 CB 1.214 10 residues pruned to eliminate duplicates Z: 14 24.236 1.757 1.083 0.885 1.000 0.846 CB 1.326 14 residues pruned to eliminate duplicates Z: 42 58.546 2.288 0.973 0.664 1.000 0.756 CB 1.740 42 residues pruned to eliminate duplicates Z: 9 6.534 1.779 0.536 0.406 0.875 0.500 CB 1.066 9 residues pruned to eliminate duplicates Z: 10 19.725 1.941 0.693 0.804 1.000 0.667 CB 1.535 10 residues pruned to eliminate duplicates Z: 20 36.648 2.179 0.944 0.872 1.000 0.632 CB 1.446 20 residues pruned to eliminate duplicates Z: 44 45.966 2.305 0.783 0.678 0.907 0.674 CB 1.597 44 residues pruned to eliminate duplicates Z: 42 58.398 2.205 1.103 0.792 0.976 0.805 CB 1.561 42 residues pruned to eliminate duplicates Z: 26 25.039 2.014 0.752 0.451 0.960 0.680 CB 1.554 26 residues pruned to eliminate duplicates Z: 37 47.406 2.171 1.043 0.585 0.972 0.583 CB 1.688 37 residues pruned to eliminate duplicates Z: 86 78.123 2.261 0.998 0.713 0.941 0.671 CB 1.642 86 residues pruned to eliminate duplicates Z: 6 8.578 2.065 -0.051 0.829 1.000 0.800 CA 1.474 6 residues pruned to eliminate duplicates Z: 23 42.828 2.113 1.043 0.929 1.000 0.955 CB 1.480 23 residues pruned to eliminate duplicates Z: 52 39.072 2.097 0.680 0.611 0.882 0.588 CB 1.584 41 residues pruned to eliminate duplicates Z: 13 23.371 2.020 0.431 0.871 1.000 0.750 CA 1.703 13 residues pruned to eliminate duplicates Z: 8 14.236 2.009 0.831 0.593 1.000 0.857 CA 1.339 8 residues pruned to eliminate duplicates Z: 20 40.883 2.213 0.966 0.909 1.000 0.842 CB 1.530 20 residues pruned to eliminate duplicates Z: 18 17.407 1.949 0.543 0.486 1.000 0.529 CB 1.424 18 residues pruned to eliminate duplicates Z: 12 5.491 1.678 0.283 0.257 0.818 0.636 CB 1.242 12 residues pruned to eliminate duplicates Z: 27 20.308 1.890 0.595 0.455 0.962 0.654 CB 1.439 27 residues pruned to eliminate duplicates Z: 91 85.856 2.201 1.094 0.766 0.978 0.733 CB 1.586 91 residues pruned to eliminate duplicates Z: 49 59.319 2.243 1.149 0.623 0.979 0.646 CB 1.615 49 residues pruned to eliminate duplicates Z: 35 69.949 2.219 1.203 0.922 1.000 0.882 CB 1.726 35 residues pruned to eliminate duplicates 6 1.735 1.456 0.715 0.295 0.600 0.400 CB 0.651 ? Z: 25 16.725 1.887 0.585 0.454 0.917 0.542 CB 1.305 25 residues pruned to eliminate duplicates Z: 35 40.409 2.025 1.170 0.615 0.941 0.706 CB 1.502 35 residues pruned to eliminate duplicates Z: 77 79.080 2.202 1.091 0.770 0.961 0.750 CB 1.615 77 residues pruned to eliminate duplicates Z: 22 27.466 2.256 0.524 0.759 0.952 0.810 CB 1.454 22 residues pruned to eliminate duplicates Z: 8 13.269 1.928 0.833 0.581 0.857 0.571 CA 1.532 8 residues pruned to eliminate duplicates Z: 7 7.418 1.671 0.695 0.753 1.000 0.667 CB 0.854 7 residues pruned to eliminate duplicates Z: 20 29.521 2.170 0.398 0.892 0.947 0.842 CB 1.693 20 residues pruned to eliminate duplicates Z: 8 8.741 1.723 0.615 0.734 1.000 0.857 CB 0.962 8 residues pruned to eliminate duplicates Z: 8 4.323 1.423 0.357 0.550 0.714 0.571 N 1.128 8 residues pruned to eliminate duplicates Z: 30 38.829 1.988 0.829 0.887 1.000 0.862 CB 1.430 30 residues pruned to eliminate duplicates Z: 12 9.217 1.466 0.473 0.894 1.000 0.636 CB 0.924 12 residues pruned to eliminate duplicates Z: 10 12.466 2.108 0.704 0.564 0.889 0.778 CB 1.223 10 residues pruned to eliminate duplicates Z: 18 24.714 2.092 0.847 0.636 0.882 0.706 CB 1.548 18 residues pruned to eliminate duplicates Z: 49 67.237 2.186 1.144 0.805 0.979 0.771 CB 1.621 49 residues pruned to eliminate duplicates Z: 17 27.450 2.138 1.050 0.673 0.938 0.812 CB 1.424 17 residues pruned to eliminate duplicates Z: 36 45.585 2.088 1.186 0.724 0.943 0.600 CB 1.463 36 residues pruned to eliminate duplicates Z: 14 41.038 2.027 1.415 0.934 1.000 0.846 C 1.621 14 residues pruned to eliminate duplicates Z: 40 40.714 2.076 0.850 0.628 0.897 0.641 CB 1.676 41 residues pruned to eliminate duplicates Z: 9 9.981 1.648 0.370 0.590 1.000 0.750 C 1.433 8 residues pruned to eliminate duplicates Z: 39 30.349 2.085 0.633 0.600 0.947 0.658 CB 1.387 39 residues pruned to eliminate duplicates Z: 7 11.524 1.616 0.835 0.876 1.000 1.000 CB 1.153 7 residues pruned to eliminate duplicates Z: 22 51.218 2.330 1.188 0.952 1.000 1.000 CB 1.510 22 residues pruned to eliminate duplicates Z: 16 16.591 2.077 0.561 0.432 0.933 0.600 CB 1.520 16 residues pruned to eliminate duplicates Z: 20 52.616 2.140 1.374 0.908 1.000 0.842 CB 1.687 20 residues pruned to eliminate duplicates Z: 10 9.948 1.912 0.560 0.613 0.778 0.667 CB 1.284 10 residues pruned to eliminate duplicates Z: 36 46.044 2.117 1.063 0.675 0.971 0.714 CB 1.561 36 residues pruned to eliminate duplicates Z: 8 12.353 1.815 0.791 0.852 1.000 0.714 CB 1.062 8 residues pruned to eliminate duplicates Z: 9 13.347 1.820 1.000 0.518 0.875 0.750 CB 1.455 7 residues pruned to eliminate duplicates Z: 8 12.532 2.101 0.549 0.573 0.857 0.714 CB 1.583 8 residues pruned to eliminate duplicates Z: 12 12.326 1.660 0.292 0.878 1.000 0.727 CB 1.257 12 residues pruned to eliminate duplicates Z: 6 20.390 2.539 0.248 0.896 1.000 1.000 C 2.063 6 residues pruned to eliminate duplicates Z: 27 32.982 2.188 0.700 0.750 0.885 0.654 CB 1.572 27 residues pruned to eliminate duplicates Z: 6 5.481 1.702 0.370 0.635 1.000 0.800 CB 0.926 Z: 38 58.467 2.185 0.900 0.907 1.000 0.730 CB 1.645 38 residues pruned to eliminate duplicates Z: 15 24.721 2.221 0.822 0.699 0.929 0.857 CB 1.466 15 residues pruned to eliminate duplicates Z: 20 44.531 2.189 0.917 0.887 1.000 0.789 CA 1.755 20 residues pruned to eliminate duplicates Z: 7 6.032 1.438 0.636 0.732 0.833 0.667 N 1.019 Z: 12 9.776 1.477 0.476 0.894 1.000 0.727 CB 0.970 11 residues pruned to eliminate duplicates Z: 37 53.462 2.145 1.181 0.764 0.972 0.778 CB 1.549 37 residues pruned to eliminate duplicates Z: 35 33.672 2.293 0.731 0.546 0.853 0.618 CB 1.630 35 residues pruned to eliminate duplicates Z: 10 9.662 1.990 0.532 0.473 0.889 0.889 CB 1.222 10 residues pruned to eliminate duplicates Z: 16 10.574 2.113 0.357 0.281 0.733 0.400 CA 1.662 16 residues pruned to eliminate duplicates Z: 9 11.894 1.987 0.761 0.657 0.875 0.875 CB 1.187 9 residues pruned to eliminate duplicates Z: 13 22.044 2.015 1.009 0.590 0.917 0.667 CB 1.574 14 residues pruned to eliminate duplicates Z: 39 63.633 2.243 0.921 0.896 1.000 0.868 CB 1.715 39 residues pruned to eliminate duplicates Z: 33 43.966 2.175 0.534 0.923 1.000 0.938 CB 1.638 33 residues pruned to eliminate duplicates Z: 9 5.668 1.725 0.246 0.292 0.875 0.375 C 1.345 9 residues pruned to eliminate duplicates Z: 6 3.866 1.582 0.731 0.491 1.000 0.800 CB 0.637 Z: 15 29.290 2.089 1.087 0.873 0.857 0.786 CB 1.525 15 residues pruned to eliminate duplicates Z: 41 39.974 2.155 0.775 0.632 0.900 0.675 CB 1.622 41 residues pruned to eliminate duplicates Z: 13 17.979 1.885 0.841 0.593 0.917 0.667 CB 1.493 13 residues pruned to eliminate duplicates Z: 9 8.633 1.396 0.974 0.862 1.000 0.750 CB 0.814 9 residues pruned to eliminate duplicates Z: 93 85.642 2.230 1.063 0.778 0.967 0.685 CB 1.570 93 residues pruned to eliminate duplicates Z: 19 32.035 2.192 0.969 0.544 1.000 0.611 CB 1.675 19 residues pruned to eliminate duplicates Z: 67 82.017 2.302 1.050 0.780 0.985 0.788 CB 1.697 67 residues pruned to eliminate duplicates Z: 40 38.704 2.158 0.337 0.866 0.974 0.821 CB 1.614 40 residues pruned to eliminate duplicates Z: 23 36.403 2.151 0.829 0.914 1.000 0.864 CB 1.395 23 residues pruned to eliminate duplicates Z: 11 9.144 1.555 0.416 0.899 0.900 0.700 CB 1.043 11 residues pruned to eliminate duplicates Z: 13 24.095 2.231 0.964 0.540 0.917 0.833 CB 1.665 14 residues pruned to eliminate duplicates Z: 7 5.973 1.451 1.066 0.716 1.000 0.667 CB 0.669 5 residues pruned to eliminate duplicates Z: 8 13.883 2.001 0.275 0.783 1.000 0.714 CA 1.603 8 residues pruned to eliminate duplicates Z: 108 79.262 2.166 1.055 0.711 0.925 0.710 CB 1.536 138 residues pruned to eliminate duplicates Z: 25 34.714 2.154 0.877 0.620 0.917 0.792 CB 1.707 25 residues pruned to eliminate duplicates Z: 32 38.348 2.215 0.840 0.652 0.903 0.677 CB 1.625 32 residues pruned to eliminate duplicates Z: 17 19.022 2.035 0.787 0.608 0.875 0.750 CB 1.349 17 residues pruned to eliminate duplicates Z: 22 36.150 2.278 0.688 0.759 0.905 0.571 CB 1.801 22 residues pruned to eliminate duplicates Z: 25 14.692 1.816 0.576 0.365 0.958 0.542 CB 1.264 25 residues pruned to eliminate duplicates Z: 10 11.090 1.787 0.684 0.472 0.889 0.667 C 1.422 10 residues pruned to eliminate duplicates Z: 25 19.460 1.829 0.783 0.510 0.958 0.708 CB 1.259 25 residues pruned to eliminate duplicates Z: 20 37.965 2.209 0.965 0.687 0.947 0.842 CB 1.784 20 residues pruned to eliminate duplicates Z: 40 46.384 2.248 0.891 0.648 0.923 0.744 CB 1.648 40 residues pruned to eliminate duplicates Z: 24 48.911 2.149 1.085 0.912 1.000 0.870 CB 1.612 24 residues pruned to eliminate duplicates Z: 41 52.205 2.202 1.082 0.766 0.950 0.825 CB 1.497 41 residues pruned to eliminate duplicates Z: 76 62.997 2.277 0.645 0.743 0.933 0.800 CB 1.674 76 residues pruned to eliminate duplicates Z: 50 49.541 2.236 0.860 0.566 0.939 0.694 CB 1.701 50 residues pruned to eliminate duplicates Z: 8 5.895 1.627 0.059 0.857 1.000 0.857 CB 0.953 8 residues pruned to eliminate duplicates Z: 16 25.920 2.096 0.878 0.611 0.933 0.800 CA 1.639 16 residues pruned to eliminate duplicates Z: 8 24.072 2.134 0.826 0.904 1.000 0.857 C 1.662 8 residues pruned to eliminate duplicates Z: 7 14.149 1.784 0.686 0.798 1.000 0.500 CB 1.479 7 residues pruned to eliminate duplicates Z: 29 21.310 1.902 0.856 0.414 0.893 0.643 CB 1.399 29 residues pruned to eliminate duplicates Z: 12 7.856 1.444 0.358 0.881 1.000 0.818 CB 0.874 12 residues pruned to eliminate duplicates Z: 6 5.640 1.803 0.639 0.465 0.800 0.600 CA 1.105 6 residues pruned to eliminate duplicates 664 residues left after pruning, divided into chains as follows: A: 56 B: 102 C: 30 D: 37 E: 257 F: 182 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 39.41 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.370, Connect. = 0.729 for dens.mod. cycle 1 = 0.300, Contrast = 0.427, Connect. = 0.756 for dens.mod. cycle 2 = 0.300, Contrast = 0.504, Connect. = 0.785 for dens.mod. cycle 3 = 0.300, Contrast = 0.513, Connect. = 0.787 for dens.mod. cycle 4 = 0.300, Contrast = 0.524, Connect. = 0.789 for dens.mod. cycle 5 = 0.300, Contrast = 0.531, Connect. = 0.791 for dens.mod. cycle 6 = 0.300, Contrast = 0.538, Connect. = 0.792 for dens.mod. cycle 7 = 0.300, Contrast = 0.544, Connect. = 0.793 for dens.mod. cycle 8 = 0.300, Contrast = 0.549, Connect. = 0.794 for dens.mod. cycle 9 = 0.300, Contrast = 0.553, Connect. = 0.794 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5258 peaks > 0.5 sigma used to seed fragment search Space for about 755 unique residues taking solvent into account 1018 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 42.976 2.334 0.739 0.883 1.000 0.737 CB 1.757 B: 18 42.000 2.427 0.540 0.882 1.000 0.941 CA 1.972 C: 18 44.992 2.420 0.674 0.885 1.000 0.824 CA 1.946 18 residues pruned to eliminate duplicates D: 19 34.490 2.215 0.731 0.860 0.944 0.722 CB 1.651 E: 19 37.385 2.359 0.552 0.905 1.000 0.722 CB 1.713 19 residues pruned to eliminate duplicates F: 22 50.243 2.240 1.002 0.948 1.000 0.905 CB 1.688 G: 20 32.884 2.259 0.758 0.864 0.895 0.789 CB 1.557 H: 20 39.178 2.315 0.668 0.924 1.000 0.895 CB 1.635 20 residues pruned to eliminate duplicates I: 19 45.776 2.314 0.896 0.919 0.944 0.833 CB 1.836 19 residues pruned to eliminate duplicates J: 17 33.417 2.209 0.672 0.866 0.938 0.688 CB 1.767 17 residues pruned to eliminate duplicates K: 20 33.158 2.171 0.633 0.902 1.000 0.684 CB 1.531 20 residues pruned to eliminate duplicates L: 19 40.958 2.207 0.767 0.918 1.000 0.889 C 1.745 19 residues pruned to eliminate duplicates M: 13 29.166 2.309 0.619 0.807 0.917 0.667 CB 1.880 N: 20 36.349 2.312 0.497 0.880 1.000 0.842 CB 1.746 14 residues pruned to eliminate duplicates O: 21 41.204 2.197 0.977 0.892 0.950 0.750 CB 1.604 20 residues pruned to eliminate duplicates P: 12 22.833 2.292 0.368 0.836 0.909 0.818 CB 1.808 12 residues pruned to eliminate duplicates Q: 37 51.057 2.184 1.001 0.643 0.972 0.750 CA 1.752 R: 10 26.503 2.164 0.961 0.835 0.889 0.667 CB 1.755 11 residues pruned to eliminate duplicates S: 23 47.013 2.343 0.809 0.953 1.000 1.000 CB 1.627 T: 19 42.940 2.232 0.920 0.932 1.000 0.833 CB 1.650 19 residues pruned to eliminate duplicates U: 12 25.562 2.257 0.422 0.905 1.000 1.000 C 1.709 12 residues pruned to eliminate duplicates V: 38 50.775 2.307 0.415 0.904 0.973 0.946 CB 1.871 W: 13 27.459 2.145 0.832 0.825 0.917 0.750 C 1.661 13 residues pruned to eliminate duplicates X: 45 58.365 2.265 0.910 0.658 1.000 0.705 CB 1.756 37 residues pruned to eliminate duplicates Y: 25 35.668 2.142 0.511 0.860 0.958 0.833 CB 1.726 Z: 18 37.825 2.512 0.439 0.859 0.941 0.706 CB 1.983 18 residues pruned to eliminate duplicates Z: 18 36.380 2.407 0.622 0.877 0.941 0.706 CB 1.744 18 residues pruned to eliminate duplicates Z: 10 11.532 1.995 0.712 0.669 0.667 0.333 C 1.445 Z: 8 22.032 2.192 0.660 0.864 1.000 0.857 CB 1.677 Z: 19 36.065 2.185 0.813 0.810 0.944 0.778 CA 1.733 19 residues pruned to eliminate duplicates Z: 22 49.719 2.264 0.994 0.956 1.000 1.000 CB 1.651 21 residues pruned to eliminate duplicates Z: 10 33.179 2.630 0.567 0.910 0.889 0.778 C 2.141 10 residues pruned to eliminate duplicates Z: 24 54.233 2.202 1.029 0.946 1.000 0.870 CB 1.751 23 residues pruned to eliminate duplicates Z: 16 35.248 2.011 1.011 0.867 1.000 0.800 CA 1.646 Z: 54 64.702 2.397 0.892 0.614 0.943 0.623 CB 1.865 29 residues pruned to eliminate duplicates Z: 41 60.638 2.243 0.807 0.871 0.950 0.675 CB 1.817 Z: 19 36.839 2.427 0.334 0.893 1.000 0.944 C 1.925 19 residues pruned to eliminate duplicates Z: 23 49.305 2.240 1.032 0.937 0.955 0.955 CB 1.684 23 residues pruned to eliminate duplicates Z: 21 38.333 2.267 0.641 0.909 0.950 0.850 CB 1.721 21 residues pruned to eliminate duplicates Z: 10 24.314 2.444 0.734 0.783 0.778 0.667 CB 1.917 Z: 18 38.308 2.270 0.603 0.924 1.000 0.882 CA 1.793 18 residues pruned to eliminate duplicates Z: 12 27.703 2.293 0.446 0.912 1.000 0.818 C 1.784 12 residues pruned to eliminate duplicates Z: 17 39.286 2.356 0.888 0.832 0.938 0.750 C 1.768 17 residues pruned to eliminate duplicates Z: 8 11.492 2.111 -0.055 0.824 1.000 0.714 CB 1.645 8 residues pruned to eliminate duplicates Z: 11 40.188 2.495 1.098 0.862 0.900 0.800 C 1.980 11 residues pruned to eliminate duplicates Z: 11 27.197 2.465 0.355 0.913 1.000 0.800 C 1.823 11 residues pruned to eliminate duplicates Z: 22 58.028 2.413 1.205 0.940 1.000 0.857 CB 1.652 23 residues pruned to eliminate duplicates Z: 21 43.129 2.181 0.855 0.858 1.000 0.650 CB 1.755 Z: 25 37.342 2.228 0.488 0.878 0.958 0.875 CB 1.741 24 residues pruned to eliminate duplicates Z: 25 47.062 2.344 0.637 0.869 0.958 0.750 C 1.908 11 residues pruned to eliminate duplicates Z: 20 39.934 2.321 0.694 0.904 1.000 0.737 CB 1.660 20 residues pruned to eliminate duplicates Z: 18 33.775 2.289 0.790 0.932 0.941 0.824 CB 1.483 18 residues pruned to eliminate duplicates Z: 20 45.519 2.210 0.996 0.888 0.947 0.632 CA 1.800 21 residues pruned to eliminate duplicates Z: 22 47.573 2.408 0.872 0.932 1.000 0.857 CB 1.608 22 residues pruned to eliminate duplicates Z: 7 11.497 2.156 -0.018 0.850 1.000 0.833 C 1.642 7 residues pruned to eliminate duplicates Z: 26 31.029 2.153 0.261 0.865 0.960 0.720 CA 1.744 26 residues pruned to eliminate duplicates Z: 24 47.730 2.305 1.050 0.917 0.957 0.826 CB 1.554 24 residues pruned to eliminate duplicates Z: 12 24.130 2.288 0.382 0.845 0.909 0.909 CA 1.883 12 residues pruned to eliminate duplicates Z: 19 33.763 2.194 0.591 0.912 1.000 0.778 CB 1.614 18 residues pruned to eliminate duplicates Z: 40 60.239 2.309 0.625 0.897 0.974 0.872 CB 1.889 41 residues pruned to eliminate duplicates Z: 21 43.969 2.181 0.875 0.882 1.000 0.850 CA 1.740 21 residues pruned to eliminate duplicates Z: 40 66.497 2.294 0.889 0.877 0.974 0.795 CB 1.832 40 residues pruned to eliminate duplicates Z: 46 54.425 2.298 0.875 0.624 0.911 0.644 CB 1.839 26 residues pruned to eliminate duplicates Z: 15 29.282 2.220 0.384 0.938 1.000 0.929 CB 1.771 15 residues pruned to eliminate duplicates Z: 18 38.780 2.332 0.676 0.932 1.000 0.941 CB 1.680 18 residues pruned to eliminate duplicates Z: 7 14.004 2.416 0.164 0.819 0.833 0.667 CA 1.850 7 residues pruned to eliminate duplicates Z: 39 53.902 2.328 0.463 0.872 1.000 0.868 CB 1.871 38 residues pruned to eliminate duplicates Z: 42 69.330 2.309 0.886 0.844 1.000 0.829 CB 1.850 39 residues pruned to eliminate duplicates Z: 25 33.071 2.198 0.405 0.842 0.958 0.750 CB 1.700 26 residues pruned to eliminate duplicates Z: 37 68.729 2.335 0.859 0.890 1.000 0.750 CB 1.898 37 residues pruned to eliminate duplicates Z: 14 28.227 2.063 0.865 0.884 1.000 0.846 CA 1.470 14 residues pruned to eliminate duplicates Z: 21 30.346 2.245 0.235 0.874 0.950 0.850 CB 1.875 21 residues pruned to eliminate duplicates Z: 20 33.913 2.213 0.675 0.903 0.947 0.789 CB 1.579 19 residues pruned to eliminate duplicates Z: 24 49.228 2.314 0.822 0.928 1.000 0.783 CB 1.705 24 residues pruned to eliminate duplicates Z: 101 92.616 2.334 1.001 0.742 0.920 0.710 CB 1.736 94 residues pruned to eliminate duplicates Z: 18 33.427 2.270 0.701 0.880 0.882 0.706 CB 1.725 18 residues pruned to eliminate duplicates Z: 19 44.677 2.444 0.646 0.896 1.000 1.000 C 1.875 19 residues pruned to eliminate duplicates Z: 39 60.844 2.306 0.639 0.891 1.000 0.842 CA 1.877 39 residues pruned to eliminate duplicates Z: 47 67.997 2.362 0.998 0.668 0.978 0.652 CB 1.859 47 residues pruned to eliminate duplicates Z: 24 48.654 2.240 1.037 0.925 0.957 0.870 CB 1.630 24 residues pruned to eliminate duplicates Z: 34 61.554 2.271 0.825 0.925 1.000 0.697 CB 1.814 34 residues pruned to eliminate duplicates Z: 21 41.303 2.243 0.720 0.908 1.000 0.750 CB 1.700 21 residues pruned to eliminate duplicates Z: 22 57.831 2.438 1.160 0.945 1.000 0.952 CB 1.658 22 residues pruned to eliminate duplicates Z: 9 19.968 2.046 0.855 0.849 1.000 0.875 CB 1.379 Z: 20 45.256 2.255 0.831 0.891 1.000 0.842 CB 1.808 20 residues pruned to eliminate duplicates Z: 46 51.413 2.275 0.825 0.667 0.911 0.689 CB 1.736 46 residues pruned to eliminate duplicates Z: 18 37.919 2.438 0.421 0.892 1.000 0.765 CB 1.907 18 residues pruned to eliminate duplicates Z: 25 50.437 2.308 1.094 0.897 0.958 0.875 CB 1.591 25 residues pruned to eliminate duplicates Z: 22 47.100 2.285 0.873 0.937 1.000 0.905 CB 1.671 22 residues pruned to eliminate duplicates Z: 31 41.166 2.034 0.963 0.845 0.900 0.667 CB 1.555 20 residues pruned to eliminate duplicates Z: 19 37.207 2.141 0.820 0.879 0.944 0.778 CA 1.728 19 residues pruned to eliminate duplicates Z: 7 8.875 1.899 0.324 0.716 1.000 0.500 CB 1.185 7 residues pruned to eliminate duplicates Z: 18 35.711 2.238 0.774 0.894 0.882 0.765 CB 1.773 18 residues pruned to eliminate duplicates Z: 9 11.739 1.864 0.366 0.746 1.000 0.625 CB 1.308 9 residues pruned to eliminate duplicates Z: 33 67.176 2.321 0.968 0.930 0.969 0.812 CB 1.877 33 residues pruned to eliminate duplicates Z: 23 44.965 2.227 0.825 0.932 1.000 0.727 CB 1.647 23 residues pruned to eliminate duplicates Z: 33 68.922 2.322 0.942 0.933 1.000 0.781 CB 1.885 33 residues pruned to eliminate duplicates Z: 18 30.611 2.254 0.344 0.894 0.941 0.882 CA 1.868 18 residues pruned to eliminate duplicates Z: 38 61.959 2.334 0.646 0.895 1.000 0.703 CB 1.901 38 residues pruned to eliminate duplicates Z: 24 35.702 2.176 0.649 0.908 1.000 0.913 CB 1.475 23 residues pruned to eliminate duplicates Z: 12 31.497 2.523 0.737 0.887 0.818 0.636 CB 1.909 12 residues pruned to eliminate duplicates Z: 109 99.926 2.376 0.942 0.747 0.944 0.676 CB 1.770 109 residues pruned to eliminate duplicates Z: 43 57.696 2.347 0.777 0.702 0.952 0.762 CB 1.864 46 residues pruned to eliminate duplicates Z: 34 72.269 2.349 0.979 0.924 1.000 0.788 CB 1.900 34 residues pruned to eliminate duplicates Z: 9 7.112 1.642 -0.135 0.802 1.000 1.000 CB 1.361 6 residues pruned to eliminate duplicates Z: 22 48.108 2.293 0.896 0.944 1.000 0.857 CB 1.673 22 residues pruned to eliminate duplicates Z: 15 32.721 2.035 0.868 0.893 1.000 0.857 CB 1.651 15 residues pruned to eliminate duplicates Z: 15 35.102 2.017 1.043 0.908 1.000 0.929 C 1.618 17 residues pruned to eliminate duplicates Z: 18 38.988 2.228 0.791 0.857 1.000 0.647 CB 1.746 18 residues pruned to eliminate duplicates Z: 35 57.165 2.321 0.664 0.866 1.000 0.912 CA 1.858 35 residues pruned to eliminate duplicates Z: 40 63.546 2.312 0.733 0.896 0.974 0.846 CB 1.867 40 residues pruned to eliminate duplicates Z: 9 20.102 2.134 0.671 0.774 0.875 0.875 CA 1.789 9 residues pruned to eliminate duplicates Z: 11 20.919 2.418 0.205 0.827 0.900 0.900 CB 1.902 11 residues pruned to eliminate duplicates Z: 20 39.153 2.186 0.794 0.882 0.947 0.789 C 1.750 20 residues pruned to eliminate duplicates Z: 19 39.913 2.427 0.487 0.892 1.000 0.667 CB 1.873 19 residues pruned to eliminate duplicates Z: 45 58.028 2.302 0.817 0.666 0.955 0.705 CB 1.879 43 residues pruned to eliminate duplicates Z: 32 39.460 2.289 0.595 0.658 0.935 0.806 CB 1.792 18 residues pruned to eliminate duplicates Z: 130 86.923 2.285 0.808 0.684 0.930 0.682 CB 1.682 122 residues pruned to eliminate duplicates Z: 18 46.688 2.484 0.691 0.878 1.000 0.824 CB 1.956 23 residues pruned to eliminate duplicates Z: 35 58.914 2.287 0.704 0.919 0.971 0.912 CB 1.882 35 residues pruned to eliminate duplicates Z: 25 36.698 2.214 0.403 0.878 1.000 0.917 CB 1.749 26 residues pruned to eliminate duplicates Z: 17 39.121 2.362 0.537 0.926 1.000 0.875 CB 1.888 17 residues pruned to eliminate duplicates Z: 22 59.591 2.449 1.180 0.946 1.000 1.000 CB 1.684 22 residues pruned to eliminate duplicates Z: 18 42.214 2.446 0.555 0.882 1.000 0.882 CB 1.947 17 residues pruned to eliminate duplicates Z: 15 35.452 2.054 0.997 0.906 1.000 0.857 CA 1.643 15 residues pruned to eliminate duplicates Z: 46 69.668 2.391 1.031 0.647 0.978 0.733 CB 1.907 47 residues pruned to eliminate duplicates Z: 54 71.573 2.288 1.024 0.737 0.962 0.623 CB 1.783 54 residues pruned to eliminate duplicates Z: 129 96.418 2.356 0.807 0.671 0.961 0.688 CB 1.779 129 residues pruned to eliminate duplicates Z: 17 40.633 2.414 0.850 0.879 0.875 0.688 CB 1.885 17 residues pruned to eliminate duplicates Z: 71 53.268 2.159 0.755 0.598 0.971 0.700 CB 1.575 28 residues pruned to eliminate duplicates Z: 7 15.106 1.940 0.595 0.839 1.000 0.833 CB 1.489 6 residues pruned to eliminate duplicates Z: 41 62.093 2.254 0.703 0.865 1.000 0.625 CB 1.874 41 residues pruned to eliminate duplicates Z: 19 36.246 2.307 0.486 0.899 1.000 0.889 CA 1.782 19 residues pruned to eliminate duplicates Z: 40 63.429 2.281 0.826 0.875 0.974 0.692 CB 1.820 40 residues pruned to eliminate duplicates Z: 22 45.009 2.311 0.730 0.950 1.000 0.857 CB 1.694 22 residues pruned to eliminate duplicates Z: 35 64.223 2.254 0.878 0.932 1.000 0.735 CB 1.818 35 residues pruned to eliminate duplicates Z: 18 38.950 2.342 0.568 0.911 1.000 0.882 C 1.823 18 residues pruned to eliminate duplicates Z: 40 71.754 2.324 0.967 0.895 0.974 0.718 C 1.850 40 residues pruned to eliminate duplicates Z: 39 64.949 2.330 0.723 0.896 1.000 0.763 CB 1.880 39 residues pruned to eliminate duplicates Z: 15 34.059 2.049 0.973 0.892 1.000 1.000 CB 1.617 15 residues pruned to eliminate duplicates Z: 8 17.691 2.239 0.344 0.840 1.000 0.429 CA 1.658 Z: 44 60.315 2.322 0.865 0.684 0.953 0.721 CB 1.880 45 residues pruned to eliminate duplicates Z: 50 42.633 2.329 0.555 0.652 0.878 0.653 CB 1.664 50 residues pruned to eliminate duplicates Z: 7 10.552 2.045 0.148 0.809 1.000 0.667 CB 1.402 7 residues pruned to eliminate duplicates Z: 37 51.589 2.311 0.787 0.700 0.917 0.806 CB 1.894 37 residues pruned to eliminate duplicates Z: 20 33.494 2.299 0.612 0.859 0.947 0.737 CB 1.611 20 residues pruned to eliminate duplicates Z: 18 46.967 2.387 0.804 0.881 1.000 0.824 C 1.915 18 residues pruned to eliminate duplicates Z: 48 40.998 2.140 0.668 0.578 0.936 0.681 CB 1.661 48 residues pruned to eliminate duplicates Z: 14 41.112 2.110 1.221 0.895 1.000 0.846 CA 1.744 14 residues pruned to eliminate duplicates Z: 15 36.273 2.040 0.950 0.924 1.000 0.929 CB 1.711 14 residues pruned to eliminate duplicates Z: 45 71.769 2.418 0.997 0.688 1.000 0.773 CB 1.886 45 residues pruned to eliminate duplicates Z: 20 35.101 2.327 0.381 0.883 1.000 0.789 CB 1.811 20 residues pruned to eliminate duplicates Z: 34 75.426 2.310 1.108 0.937 1.000 0.727 C 1.877 34 residues pruned to eliminate duplicates Z: 19 45.384 2.232 1.020 0.892 1.000 0.889 CB 1.705 9 residues pruned to eliminate duplicates Z: 20 33.185 2.151 0.543 0.836 1.000 0.789 CA 1.717 20 residues pruned to eliminate duplicates Z: 8 17.678 2.268 0.604 0.719 0.857 0.571 C 1.757 8 residues pruned to eliminate duplicates Z: 40 51.667 2.273 0.466 0.871 0.974 0.897 CB 1.860 40 residues pruned to eliminate duplicates Z: 10 13.140 2.326 -0.019 0.723 0.889 0.778 CB 1.766 10 residues pruned to eliminate duplicates Z: 22 52.899 2.409 1.056 0.938 1.000 0.810 CB 1.620 22 residues pruned to eliminate duplicates Z: 19 37.090 2.369 0.653 0.907 0.944 0.889 CB 1.680 19 residues pruned to eliminate duplicates Z: 10 10.004 1.957 0.458 0.693 0.667 0.333 C 1.469 10 residues pruned to eliminate duplicates Z: 65 62.048 2.304 0.734 0.673 0.922 0.656 CB 1.795 109 residues pruned to eliminate duplicates Z: 42 43.494 2.184 0.744 0.625 0.902 0.756 CB 1.757 42 residues pruned to eliminate duplicates Z: 24 46.635 2.193 0.911 0.930 0.957 0.826 CB 1.697 24 residues pruned to eliminate duplicates Z: 18 40.324 2.225 0.882 0.870 1.000 0.706 CB 1.705 18 residues pruned to eliminate duplicates Z: 23 58.299 2.223 1.278 0.933 1.000 0.773 CB 1.713 24 residues pruned to eliminate duplicates Z: 26 43.014 2.265 0.599 0.850 0.920 0.760 C 1.912 25 residues pruned to eliminate duplicates Z: 18 42.503 2.304 0.817 0.925 1.000 0.882 CB 1.728 18 residues pruned to eliminate duplicates Z: 13 26.515 2.206 0.439 0.926 0.917 0.667 CB 1.844 13 residues pruned to eliminate duplicates Z: 7 20.087 2.354 0.434 0.858 1.000 0.833 CA 1.789 8 residues pruned to eliminate duplicates Z: 46 68.124 2.398 0.976 0.679 0.978 0.667 CB 1.859 46 residues pruned to eliminate duplicates Z: 24 52.677 2.229 1.391 0.946 0.957 0.565 CB 1.490 24 residues pruned to eliminate duplicates Z: 30 56.516 2.187 0.979 0.920 0.966 0.690 C 1.769 30 residues pruned to eliminate duplicates Z: 19 36.169 2.263 0.772 0.916 0.944 0.778 CB 1.590 19 residues pruned to eliminate duplicates Z: 20 41.031 2.214 0.790 0.860 1.000 0.737 C 1.747 Z: 19 46.738 2.242 0.973 0.895 1.000 0.611 CB 1.785 19 residues pruned to eliminate duplicates Z: 36 67.353 2.393 1.259 0.673 0.943 0.686 CB 1.905 36 residues pruned to eliminate duplicates Z: 44 58.804 2.289 0.852 0.687 0.953 0.674 CB 1.869 20 residues pruned to eliminate duplicates Z: 19 43.235 2.307 0.679 0.892 1.000 0.889 C 1.891 19 residues pruned to eliminate duplicates Z: 17 32.857 2.290 0.608 0.814 0.938 0.688 CB 1.811 17 residues pruned to eliminate duplicates Z: 18 41.100 2.353 0.652 0.895 1.000 0.765 CB 1.838 18 residues pruned to eliminate duplicates Z: 19 47.347 2.449 0.752 0.869 1.000 0.722 CB 1.900 19 residues pruned to eliminate duplicates Z: 34 65.829 2.328 0.876 0.929 0.970 0.909 CB 1.893 34 residues pruned to eliminate duplicates Z: 19 33.776 2.172 0.585 0.910 0.944 0.944 CA 1.737 19 residues pruned to eliminate duplicates Z: 36 53.538 2.284 0.579 0.927 0.971 0.914 CB 1.810 36 residues pruned to eliminate duplicates Z: 38 53.057 2.303 0.483 0.873 1.000 0.838 CB 1.860 38 residues pruned to eliminate duplicates Z: 40 56.961 2.269 0.694 0.883 0.949 0.821 CB 1.808 40 residues pruned to eliminate duplicates Z: 39 72.877 2.337 0.926 0.888 1.000 0.789 CB 1.893 39 residues pruned to eliminate duplicates Z: 15 36.074 2.051 1.033 0.904 1.000 0.929 CB 1.647 15 residues pruned to eliminate duplicates Z: 9 24.044 2.182 0.755 0.855 0.875 0.750 C 1.872 9 residues pruned to eliminate duplicates Z: 18 37.408 2.260 0.714 0.913 1.000 0.706 CB 1.659 18 residues pruned to eliminate duplicates Z: 18 43.477 2.430 0.671 0.859 1.000 0.647 CB 1.911 18 residues pruned to eliminate duplicates Z: 37 70.965 2.309 0.940 0.916 1.000 0.806 CB 1.864 37 residues pruned to eliminate duplicates Z: 40 75.371 2.295 1.075 0.874 1.000 0.538 C 1.844 40 residues pruned to eliminate duplicates Z: 31 37.457 2.050 0.715 0.884 0.967 0.833 CB 1.453 20 residues pruned to eliminate duplicates Z: 26 41.428 2.245 0.602 0.853 0.920 0.800 CA 1.850 26 residues pruned to eliminate duplicates Z: 25 39.427 2.277 0.529 0.882 0.958 0.750 CB 1.745 25 residues pruned to eliminate duplicates Z: 20 35.158 2.153 0.526 0.924 1.000 1.000 CB 1.723 20 residues pruned to eliminate duplicates Z: 44 46.353 2.262 0.646 0.647 0.907 0.744 C 1.825 44 residues pruned to eliminate duplicates Z: 8 21.780 2.386 0.320 0.844 1.000 0.429 C 1.945 8 residues pruned to eliminate duplicates Z: 24 36.401 2.228 0.501 0.860 0.957 0.826 CB 1.745 24 residues pruned to eliminate duplicates Z: 7 10.493 2.265 0.227 0.413 1.000 0.667 CB 1.688 Z: 40 64.545 2.308 0.761 0.844 1.000 0.769 CB 1.892 40 residues pruned to eliminate duplicates Z: 39 74.452 2.341 0.924 0.882 1.000 0.895 CB 1.940 39 residues pruned to eliminate duplicates Z: 15 28.125 2.189 0.569 0.885 0.929 0.786 CB 1.702 15 residues pruned to eliminate duplicates Z: 19 33.534 2.198 0.614 0.900 0.889 0.778 C 1.791 19 residues pruned to eliminate duplicates Z: 25 51.756 2.146 1.174 0.927 0.958 0.750 C 1.656 25 residues pruned to eliminate duplicates Z: 32 34.797 2.026 0.576 0.900 0.935 0.806 CB 1.495 32 residues pruned to eliminate duplicates Z: 30 39.039 2.312 0.628 0.634 0.931 0.655 CB 1.824 30 residues pruned to eliminate duplicates Z: 9 14.795 1.936 0.534 0.868 1.000 0.875 CB 1.288 8 residues pruned to eliminate duplicates Z: 13 38.683 2.271 0.932 0.940 1.000 1.000 CB 1.767 15 residues pruned to eliminate duplicates Z: 62 45.977 2.138 0.766 0.516 0.984 0.639 CB 1.561 13 residues pruned to eliminate duplicates Z: 32 73.030 2.326 1.081 0.939 1.000 0.742 CA 1.883 32 residues pruned to eliminate duplicates Z: 29 34.492 2.282 0.559 0.656 0.893 0.571 CB 1.775 29 residues pruned to eliminate duplicates Z: 39 60.769 2.265 0.760 0.919 0.974 0.711 CB 1.790 39 residues pruned to eliminate duplicates Z: 35 69.323 2.251 1.027 0.933 1.000 0.794 CB 1.818 35 residues pruned to eliminate duplicates Z: 19 32.311 2.227 0.557 0.893 0.944 0.833 CB 1.669 19 residues pruned to eliminate duplicates Z: 22 50.223 2.315 0.936 0.950 1.000 0.810 CB 1.687 22 residues pruned to eliminate duplicates Z: 37 71.899 2.344 0.890 0.914 1.000 0.861 CB 1.914 37 residues pruned to eliminate duplicates Z: 15 29.789 2.144 0.678 0.907 0.929 0.714 CB 1.694 15 residues pruned to eliminate duplicates Z: 25 33.980 2.231 0.412 0.867 0.958 0.833 CB 1.681 25 residues pruned to eliminate duplicates Z: 17 30.643 2.130 0.604 0.895 1.000 0.812 CB 1.607 17 residues pruned to eliminate duplicates Z: 25 45.868 2.243 0.670 0.855 1.000 0.792 CA 1.844 24 residues pruned to eliminate duplicates Z: 36 67.599 2.201 1.056 0.922 1.000 0.629 CB 1.776 36 residues pruned to eliminate duplicates Z: 10 18.823 2.076 0.491 0.894 0.889 0.778 CA 1.636 10 residues pruned to eliminate duplicates Z: 24 64.925 2.378 1.345 0.901 1.000 0.870 CB 1.733 24 residues pruned to eliminate duplicates Z: 18 38.756 2.277 0.694 0.925 1.000 0.824 CB 1.710 18 residues pruned to eliminate duplicates Z: 18 46.863 2.375 0.794 0.860 1.000 0.824 C 1.962 18 residues pruned to eliminate duplicates Z: 40 70.169 2.306 0.954 0.864 0.974 0.795 CA 1.877 40 residues pruned to eliminate duplicates Z: 9 23.514 2.212 0.573 0.865 1.000 0.875 CA 1.750 9 residues pruned to eliminate duplicates Z: 40 56.033 2.315 0.496 0.881 1.000 0.949 CB 1.876 40 residues pruned to eliminate duplicates Z: 40 63.512 2.288 0.784 0.859 0.974 0.744 CA 1.882 40 residues pruned to eliminate duplicates Z: 39 48.812 2.294 0.361 0.878 1.000 0.895 CB 1.839 39 residues pruned to eliminate duplicates Z: 8 8.947 1.944 0.349 0.734 0.714 0.571 CA 1.463 8 residues pruned to eliminate duplicates Z: 10 19.226 1.930 0.750 0.830 1.000 0.889 C 1.427 10 residues pruned to eliminate duplicates Z: 16 30.274 2.155 0.518 0.909 1.000 0.933 CB 1.696 16 residues pruned to eliminate duplicates Z: 39 66.321 2.282 0.814 0.898 1.000 0.789 CB 1.859 39 residues pruned to eliminate duplicates Z: 20 47.729 2.249 0.887 0.918 1.000 0.842 CB 1.820 20 residues pruned to eliminate duplicates Z: 22 61.604 2.228 1.462 0.941 1.000 0.810 CB 1.701 22 residues pruned to eliminate duplicates Z: 32 62.382 2.339 0.721 0.946 1.000 0.903 CA 1.924 32 residues pruned to eliminate duplicates Z: 34 70.685 2.331 0.970 0.943 1.000 0.818 CB 1.857 34 residues pruned to eliminate duplicates Z: 40 54.894 2.325 0.903 0.640 0.923 0.667 CB 1.888 40 residues pruned to eliminate duplicates Z: 9 17.391 2.030 0.440 0.861 1.000 1.000 C 1.546 9 residues pruned to eliminate duplicates Z: 9 21.451 2.167 0.576 0.875 1.000 0.875 CA 1.616 9 residues pruned to eliminate duplicates Z: 28 36.494 2.230 0.676 0.691 0.889 0.667 CB 1.776 28 residues pruned to eliminate duplicates Z: 12 19.792 2.245 0.174 0.806 0.909 0.636 CB 1.908 12 residues pruned to eliminate duplicates Z: 23 44.558 2.351 0.876 0.947 1.000 0.864 CB 1.489 23 residues pruned to eliminate duplicates Z: 19 34.812 2.337 0.458 0.893 0.944 0.889 CB 1.831 19 residues pruned to eliminate duplicates Z: 39 68.390 2.338 0.807 0.883 1.000 0.816 CB 1.900 39 residues pruned to eliminate duplicates Z: 8 11.012 2.104 0.118 0.821 0.857 0.571 CA 1.562 8 residues pruned to eliminate duplicates Z: 33 70.919 2.279 1.087 0.928 0.969 0.781 C 1.905 33 residues pruned to eliminate duplicates Z: 21 45.680 2.229 0.943 0.859 1.000 0.750 CB 1.735 21 residues pruned to eliminate duplicates Z: 31 34.295 2.083 0.538 0.877 0.933 0.800 CB 1.521 31 residues pruned to eliminate duplicates Z: 16 37.981 2.029 0.994 0.923 1.000 0.933 CB 1.704 16 residues pruned to eliminate duplicates Z: 23 33.096 2.179 0.486 0.838 0.955 0.864 CB 1.707 23 residues pruned to eliminate duplicates Z: 19 43.965 2.458 0.599 0.877 1.000 0.833 CB 1.915 19 residues pruned to eliminate duplicates Z: 20 36.882 2.289 0.815 0.876 0.947 0.737 CB 1.562 20 residues pruned to eliminate duplicates Z: 24 36.249 2.254 0.467 0.858 0.957 0.826 CB 1.759 24 residues pruned to eliminate duplicates Z: 64 42.678 2.143 0.814 0.504 0.921 0.667 CB 1.496 64 residues pruned to eliminate duplicates Z: 22 52.275 2.371 1.186 0.930 0.952 0.857 CB 1.615 22 residues pruned to eliminate duplicates Z: 7 15.656 2.274 0.211 0.842 1.000 0.667 CA 1.729 7 residues pruned to eliminate duplicates Z: 20 42.019 2.183 0.883 0.868 0.947 0.947 CB 1.809 20 residues pruned to eliminate duplicates Z: 26 39.030 2.194 0.639 0.856 0.920 0.800 CA 1.739 26 residues pruned to eliminate duplicates Z: 22 60.035 2.459 1.180 0.938 1.000 0.905 CB 1.699 22 residues pruned to eliminate duplicates Z: 10 18.302 1.884 0.778 0.779 1.000 0.667 CA 1.424 10 residues pruned to eliminate duplicates Z: 22 42.101 2.069 0.989 0.877 1.000 0.810 CB 1.622 22 residues pruned to eliminate duplicates Z: 22 44.048 2.174 0.943 0.897 0.952 0.667 CB 1.711 22 residues pruned to eliminate duplicates Z: 18 29.117 2.080 0.654 0.822 1.000 0.647 CB 1.553 18 residues pruned to eliminate duplicates Z: 19 32.299 2.194 0.735 0.826 0.944 0.722 CB 1.597 19 residues pruned to eliminate duplicates Z: 40 51.090 2.284 0.489 0.893 0.949 0.872 CB 1.820 40 residues pruned to eliminate duplicates Z: 21 59.215 2.255 1.408 0.944 1.000 0.750 CB 1.688 21 residues pruned to eliminate duplicates Z: 34 66.019 2.286 0.979 0.891 0.970 0.727 CB 1.883 34 residues pruned to eliminate duplicates Z: 18 36.257 2.263 0.694 0.890 0.941 0.765 CB 1.753 18 residues pruned to eliminate duplicates Z: 40 74.037 2.262 1.098 0.904 0.974 0.564 CB 1.826 40 residues pruned to eliminate duplicates Z: 16 23.647 2.126 0.230 0.904 1.000 0.867 CB 1.663 16 residues pruned to eliminate duplicates Z: 40 72.512 2.255 1.029 0.911 1.000 0.615 C 1.798 40 residues pruned to eliminate duplicates Z: 21 41.084 2.224 0.929 0.905 0.950 0.600 CB 1.604 21 residues pruned to eliminate duplicates Z: 9 15.192 2.065 0.547 0.813 0.875 0.875 CB 1.464 9 residues pruned to eliminate duplicates Z: 40 78.052 2.312 1.086 0.898 1.000 0.769 C 1.854 40 residues pruned to eliminate duplicates Z: 41 58.026 2.276 0.631 0.886 0.975 0.700 C 1.828 41 residues pruned to eliminate duplicates Z: 22 43.190 2.263 0.793 0.939 1.000 1.000 CB 1.615 22 residues pruned to eliminate duplicates Z: 102 88.692 2.260 1.001 0.758 0.931 0.683 CB 1.667 102 residues pruned to eliminate duplicates Z: 20 37.071 2.206 0.763 0.815 0.895 0.737 CA 1.859 20 residues pruned to eliminate duplicates Z: 11 11.464 1.952 0.392 0.561 0.800 0.500 CA 1.572 11 residues pruned to eliminate duplicates Z: 35 51.554 2.255 0.519 0.927 1.000 0.882 CB 1.808 35 residues pruned to eliminate duplicates Z: 40 67.130 2.273 0.872 0.890 1.000 0.667 CB 1.817 40 residues pruned to eliminate duplicates Z: 19 27.195 2.140 0.371 0.850 0.944 0.778 CA 1.713 19 residues pruned to eliminate duplicates Z: 11 12.202 1.995 0.484 0.512 0.900 0.700 CA 1.430 11 residues pruned to eliminate duplicates Z: 20 45.742 2.306 0.894 0.884 1.000 0.684 CB 1.736 20 residues pruned to eliminate duplicates Z: 35 53.128 2.224 0.680 0.917 0.971 0.882 CB 1.773 35 residues pruned to eliminate duplicates Z: 24 57.920 2.284 1.228 0.943 1.000 0.957 CB 1.646 24 residues pruned to eliminate duplicates Z: 35 60.693 2.333 0.719 0.913 0.971 0.882 CB 1.893 35 residues pruned to eliminate duplicates Z: 19 41.298 2.198 0.795 0.870 1.000 0.778 C 1.801 19 residues pruned to eliminate duplicates Z: 25 15.956 1.953 0.483 0.422 0.917 0.500 CB 1.331 Z: 18 33.837 2.280 0.497 0.924 0.941 0.941 C 1.794 18 residues pruned to eliminate duplicates Z: 19 52.204 2.317 1.003 0.911 1.000 0.778 CB 1.879 19 residues pruned to eliminate duplicates Z: 21 38.305 2.191 0.688 0.886 1.000 0.800 CB 1.671 21 residues pruned to eliminate duplicates Z: 8 15.307 2.098 0.447 0.788 0.857 0.857 CB 1.727 8 residues pruned to eliminate duplicates Z: 39 56.326 2.326 0.520 0.870 1.000 0.842 CB 1.886 39 residues pruned to eliminate duplicates Z: 22 53.914 2.286 1.201 0.961 0.952 0.857 CB 1.681 22 residues pruned to eliminate duplicates Z: 35 47.122 2.256 0.418 0.907 0.971 0.912 CB 1.850 35 residues pruned to eliminate duplicates Z: 18 20.704 2.034 0.378 0.809 0.941 0.824 CB 1.455 18 residues pruned to eliminate duplicates Z: 18 28.313 2.080 0.611 0.869 0.882 0.824 CB 1.697 18 residues pruned to eliminate duplicates Z: 8 10.803 1.993 0.300 0.494 1.000 0.714 CB 1.586 Z: 40 71.583 2.315 0.904 0.874 1.000 0.744 CB 1.893 40 residues pruned to eliminate duplicates Z: 19 36.352 2.188 0.651 0.887 1.000 0.833 CB 1.711 19 residues pruned to eliminate duplicates Z: 16 34.194 1.932 1.013 0.908 1.000 0.933 CB 1.612 16 residues pruned to eliminate duplicates Z: 71 44.813 2.092 0.690 0.578 0.914 0.643 CB 1.537 71 residues pruned to eliminate duplicates Z: 18 35.490 2.229 0.929 0.874 0.941 0.765 CB 1.549 18 residues pruned to eliminate duplicates Z: 8 17.481 2.259 0.575 0.797 0.857 0.429 CA 1.671 8 residues pruned to eliminate duplicates Z: 52 58.810 2.337 0.885 0.618 0.922 0.627 CB 1.814 52 residues pruned to eliminate duplicates Z: 15 15.967 1.641 0.559 0.879 1.000 0.857 CB 1.210 13 residues pruned to eliminate duplicates Z: 33 52.040 2.274 0.562 0.901 0.969 0.906 C 1.908 33 residues pruned to eliminate duplicates Z: 21 41.636 2.297 0.779 0.944 1.000 0.900 CB 1.578 21 residues pruned to eliminate duplicates Z: 13 20.988 1.839 0.956 0.892 0.917 0.917 CB 1.320 14 residues pruned to eliminate duplicates Z: 34 54.590 2.298 0.576 0.923 1.000 0.909 CB 1.843 34 residues pruned to eliminate duplicates Z: 21 59.102 2.306 1.250 0.958 1.000 0.950 CB 1.748 21 residues pruned to eliminate duplicates Z: 10 17.040 1.779 0.618 0.860 1.000 0.889 C 1.451 10 residues pruned to eliminate duplicates Z: 41 52.903 2.221 0.525 0.892 0.975 0.825 CB 1.819 41 residues pruned to eliminate duplicates Z: 39 61.445 2.300 0.671 0.876 1.000 0.763 CB 1.884 39 residues pruned to eliminate duplicates Z: 31 40.180 2.090 0.625 0.879 1.000 0.667 CB 1.566 31 residues pruned to eliminate duplicates Z: 23 42.397 2.216 0.803 0.932 0.955 0.864 CB 1.655 23 residues pruned to eliminate duplicates Z: 19 33.367 2.198 0.620 0.907 0.889 0.889 CA 1.765 19 residues pruned to eliminate duplicates Z: 7 6.234 2.004 0.077 0.586 0.833 0.333 CB 1.303 7 residues pruned to eliminate duplicates Z: 31 42.482 2.093 0.718 0.897 0.967 0.833 CB 1.596 31 residues pruned to eliminate duplicates Z: 41 72.473 2.258 1.034 0.881 1.000 0.725 C 1.807 41 residues pruned to eliminate duplicates Z: 32 19.193 2.060 0.428 0.393 0.871 0.516 CB 1.507 32 residues pruned to eliminate duplicates Z: 18 37.852 2.286 0.747 0.914 0.941 0.882 C 1.728 18 residues pruned to eliminate duplicates Z: 22 53.019 2.406 1.045 0.942 1.000 0.857 CB 1.631 22 residues pruned to eliminate duplicates Z: 20 34.843 2.280 0.563 0.891 0.947 0.684 CB 1.702 20 residues pruned to eliminate duplicates Z: 25 45.239 2.294 0.673 0.896 0.958 0.833 C 1.798 25 residues pruned to eliminate duplicates Z: 17 24.305 2.242 0.166 0.904 0.938 0.812 CB 1.765 17 residues pruned to eliminate duplicates Z: 18 17.722 2.152 0.539 0.496 0.882 0.353 CB 1.477 12 residues pruned to eliminate duplicates Z: 10 12.095 1.728 0.532 0.672 0.889 0.667 CB 1.462 11 residues pruned to eliminate duplicates Z: 36 67.155 2.218 1.018 0.926 0.971 0.657 CB 1.831 36 residues pruned to eliminate duplicates Z: 25 58.464 2.203 1.522 0.892 0.958 0.833 CB 1.610 25 residues pruned to eliminate duplicates Z: 36 51.776 2.219 1.094 0.659 0.971 0.743 CB 1.672 36 residues pruned to eliminate duplicates Z: 54 45.537 2.153 0.901 0.522 0.925 0.604 CB 1.617 54 residues pruned to eliminate duplicates Z: 44 45.853 2.243 0.761 0.636 0.907 0.721 CB 1.717 44 residues pruned to eliminate duplicates Z: 23 55.025 2.366 1.102 0.945 0.955 0.955 CB 1.710 23 residues pruned to eliminate duplicates Z: 19 40.919 2.231 0.768 0.889 1.000 0.833 CB 1.759 20 residues pruned to eliminate duplicates Z: 39 55.469 2.326 0.459 0.905 1.000 0.895 CB 1.887 39 residues pruned to eliminate duplicates Z: 39 60.950 2.281 0.742 0.910 0.974 0.684 CB 1.813 39 residues pruned to eliminate duplicates Z: 21 44.689 2.229 0.893 0.834 1.000 0.650 CB 1.775 21 residues pruned to eliminate duplicates Z: 25 19.870 1.999 0.600 0.435 0.917 0.708 CB 1.479 25 residues pruned to eliminate duplicates Z: 62 59.200 2.313 0.798 0.586 0.934 0.656 CB 1.795 62 residues pruned to eliminate duplicates Z: 16 43.132 2.312 0.849 0.889 1.000 0.733 CA 1.876 16 residues pruned to eliminate duplicates Z: 47 59.607 2.325 0.989 0.619 0.957 0.761 CB 1.775 47 residues pruned to eliminate duplicates Z: 21 41.837 2.167 0.858 0.892 1.000 0.800 CB 1.668 21 residues pruned to eliminate duplicates Z: 18 43.705 2.339 0.874 0.921 1.000 0.765 CB 1.701 18 residues pruned to eliminate duplicates Z: 35 65.009 2.249 0.979 0.897 0.971 0.882 CB 1.847 35 residues pruned to eliminate duplicates Z: 13 24.092 1.852 0.816 0.916 1.000 1.000 CB 1.461 13 residues pruned to eliminate duplicates Z: 18 43.925 2.504 0.623 0.831 1.000 0.765 C 1.970 18 residues pruned to eliminate duplicates Z: 26 33.080 2.158 0.570 0.728 0.920 0.720 CB 1.728 26 residues pruned to eliminate duplicates Z: 35 58.615 2.262 0.683 0.944 1.000 0.971 CB 1.828 35 residues pruned to eliminate duplicates Z: 14 20.043 1.737 0.743 0.916 1.000 0.846 CB 1.297 14 residues pruned to eliminate duplicates Z: 18 30.011 2.355 0.503 0.870 0.824 0.824 CB 1.822 18 residues pruned to eliminate duplicates Z: 75 61.692 2.274 0.741 0.628 0.932 0.730 CB 1.723 77 residues pruned to eliminate duplicates Z: 19 51.176 2.252 1.084 0.905 1.000 0.833 CB 1.829 19 residues pruned to eliminate duplicates Z: 35 63.588 2.279 0.821 0.931 1.000 0.824 CB 1.837 35 residues pruned to eliminate duplicates Z: 40 73.757 2.296 1.028 0.907 1.000 0.846 C 1.803 40 residues pruned to eliminate duplicates Z: 35 39.375 2.154 0.955 0.590 1.000 0.765 CB 1.471 35 residues pruned to eliminate duplicates Z: 8 15.975 1.993 0.721 0.710 0.857 0.429 C 1.697 8 residues pruned to eliminate duplicates Z: 19 48.945 2.272 1.004 0.887 1.000 0.778 CB 1.826 19 residues pruned to eliminate duplicates Z: 20 38.485 2.261 0.638 0.804 0.947 0.684 CA 1.930 20 residues pruned to eliminate duplicates Z: 18 43.896 2.371 0.899 0.906 0.941 0.882 CB 1.786 18 residues pruned to eliminate duplicates Z: 39 67.544 2.327 0.766 0.913 1.000 0.947 CB 1.888 39 residues pruned to eliminate duplicates Z: 40 68.309 2.294 0.884 0.879 1.000 0.667 CB 1.836 40 residues pruned to eliminate duplicates Z: 16 27.131 2.153 0.343 0.888 1.000 0.867 CB 1.746 16 residues pruned to eliminate duplicates Z: 18 39.496 2.311 0.717 0.863 1.000 0.765 CB 1.772 18 residues pruned to eliminate duplicates Z: 17 31.131 2.143 0.591 0.899 1.000 0.812 CB 1.632 17 residues pruned to eliminate duplicates Z: 15 26.547 2.183 0.335 0.929 1.000 1.000 CB 1.704 15 residues pruned to eliminate duplicates Z: 35 68.151 2.349 0.984 0.920 0.941 0.853 CB 1.876 35 residues pruned to eliminate duplicates Z: 45 51.749 2.290 0.740 0.665 0.909 0.636 CB 1.849 45 residues pruned to eliminate duplicates Z: 14 27.522 2.073 0.572 0.901 1.000 1.000 CA 1.672 14 residues pruned to eliminate duplicates Z: 38 63.520 2.294 0.716 0.910 1.000 0.757 CB 1.880 38 residues pruned to eliminate duplicates Z: 22 55.549 2.423 1.096 0.943 1.000 0.905 CB 1.654 22 residues pruned to eliminate duplicates Z: 34 54.552 2.273 0.606 0.922 1.000 0.848 CB 1.829 34 residues pruned to eliminate duplicates Z: 25 46.877 2.314 0.586 0.884 1.000 0.708 C 1.883 25 residues pruned to eliminate duplicates Z: 9 18.079 2.204 0.303 0.751 1.000 0.625 CA 1.780 9 residues pruned to eliminate duplicates Z: 36 51.459 2.217 1.066 0.647 0.971 0.714 CB 1.704 36 residues pruned to eliminate duplicates Z: 21 44.818 2.185 1.023 0.853 0.950 0.800 CB 1.763 21 residues pruned to eliminate duplicates Z: 26 17.129 1.995 0.497 0.468 0.840 0.680 CB 1.412 26 residues pruned to eliminate duplicates Z: 8 6.969 1.548 0.231 0.757 0.857 0.429 C 1.283 8 residues pruned to eliminate duplicates Z: 24 39.379 2.194 0.773 0.946 1.000 0.870 CB 1.459 24 residues pruned to eliminate duplicates Z: 30 41.894 2.058 0.884 0.891 0.931 0.621 CB 1.550 30 residues pruned to eliminate duplicates Z: 37 63.010 2.327 0.681 0.912 1.000 0.861 CB 1.901 37 residues pruned to eliminate duplicates Z: 6 13.151 2.061 0.291 0.819 1.000 1.000 C 1.676 6 residues pruned to eliminate duplicates Z: 19 26.545 2.182 0.459 0.864 0.944 0.611 CB 1.525 19 residues pruned to eliminate duplicates Z: 25 27.295 2.172 0.315 0.841 0.917 0.875 CB 1.587 25 residues pruned to eliminate duplicates Z: 23 33.440 2.071 0.569 0.855 0.955 0.727 CA 1.696 23 residues pruned to eliminate duplicates Z: 19 34.942 2.186 0.626 0.904 0.944 0.944 C 1.747 19 residues pruned to eliminate duplicates Z: 19 12.491 2.028 0.227 0.394 0.889 0.500 CB 1.488 17 residues pruned to eliminate duplicates Z: 27 43.449 2.448 0.759 0.577 0.923 0.692 C 1.990 27 residues pruned to eliminate duplicates Z: 88 95.889 2.358 1.046 0.760 0.966 0.805 CB 1.751 88 residues pruned to eliminate duplicates Z: 9 32.508 2.372 0.909 0.840 1.000 0.875 CA 1.895 9 residues pruned to eliminate duplicates Z: 35 45.300 2.281 0.709 0.713 0.912 0.765 CB 1.801 35 residues pruned to eliminate duplicates Z: 7 14.713 2.220 0.208 0.748 1.000 0.667 C 1.795 7 residues pruned to eliminate duplicates Z: 45 58.360 2.249 0.983 0.660 0.977 0.727 CB 1.740 47 residues pruned to eliminate duplicates Z: 19 34.510 2.287 0.823 0.621 1.000 0.833 CB 1.741 19 residues pruned to eliminate duplicates Z: 21 32.683 2.113 0.780 0.904 0.900 0.700 CB 1.537 21 residues pruned to eliminate duplicates Z: 20 51.261 2.247 1.073 0.888 1.000 0.789 C 1.819 20 residues pruned to eliminate duplicates Z: 29 25.414 2.082 0.647 0.430 0.929 0.679 CB 1.622 30 residues pruned to eliminate duplicates Z: 20 30.397 2.143 0.617 0.647 1.000 0.632 CB 1.755 20 residues pruned to eliminate duplicates Z: 38 15.290 1.859 0.597 0.339 0.838 0.622 CB 1.204 27 residues pruned to eliminate duplicates Z: 14 40.234 2.112 1.193 0.922 1.000 1.000 CA 1.694 14 residues pruned to eliminate duplicates Z: 20 35.500 2.288 0.775 0.872 0.947 0.684 CB 1.543 20 residues pruned to eliminate duplicates Z: 52 60.698 2.374 0.868 0.559 0.961 0.588 CB 1.885 52 residues pruned to eliminate duplicates Z: 21 43.873 2.146 1.026 0.880 0.950 0.750 CB 1.721 21 residues pruned to eliminate duplicates Z: 62 43.968 2.127 0.830 0.524 0.934 0.623 CB 1.512 62 residues pruned to eliminate duplicates Z: 12 18.313 1.903 0.595 0.928 1.000 0.909 CB 1.273 12 residues pruned to eliminate duplicates Z: 39 50.613 2.268 0.433 0.885 1.000 0.842 CB 1.825 39 residues pruned to eliminate duplicates Z: 28 17.947 1.977 0.531 0.434 0.926 0.593 CB 1.319 36 residues pruned to eliminate duplicates Z: 19 40.415 2.288 0.616 0.891 1.000 0.778 CB 1.851 19 residues pruned to eliminate duplicates Z: 8 12.584 2.001 0.441 0.760 1.000 0.857 CB 1.309 8 residues pruned to eliminate duplicates Z: 24 52.194 2.350 0.963 0.932 1.000 0.870 CB 1.648 24 residues pruned to eliminate duplicates Z: 44 63.859 2.321 0.886 0.689 0.977 0.767 CB 1.916 43 residues pruned to eliminate duplicates Z: 9 13.973 1.978 0.368 0.872 0.875 0.875 CB 1.520 9 residues pruned to eliminate duplicates Z: 80 80.130 2.307 0.859 0.731 0.975 0.696 CB 1.753 80 residues pruned to eliminate duplicates Z: 47 63.384 2.343 0.979 0.632 0.978 0.652 CB 1.819 47 residues pruned to eliminate duplicates Z: 29 44.263 2.400 0.609 0.668 0.964 0.679 CB 1.924 29 residues pruned to eliminate duplicates Z: 31 34.958 2.070 0.509 0.857 0.933 0.767 CB 1.613 31 residues pruned to eliminate duplicates Z: 36 33.382 2.164 0.402 0.674 0.914 0.686 CB 1.732 36 residues pruned to eliminate duplicates Z: 24 47.788 2.288 0.806 0.948 1.000 0.913 CB 1.666 24 residues pruned to eliminate duplicates Z: 11 28.931 2.279 0.988 0.810 0.900 0.600 C 1.713 11 residues pruned to eliminate duplicates Z: 43 58.427 2.327 0.842 0.685 0.952 0.738 CB 1.864 43 residues pruned to eliminate duplicates Z: 43 54.272 2.327 0.730 0.679 0.952 0.762 CB 1.852 43 residues pruned to eliminate duplicates Z: 27 38.554 2.379 0.499 0.691 0.923 0.692 C 1.929 27 residues pruned to eliminate duplicates Z: 19 38.911 2.420 0.470 0.887 1.000 0.833 CB 1.858 19 residues pruned to eliminate duplicates Z: 27 21.743 2.062 0.588 0.448 0.885 0.654 CB 1.554 27 residues pruned to eliminate duplicates Z: 15 36.238 2.032 1.169 0.887 1.000 0.714 CB 1.585 15 residues pruned to eliminate duplicates Z: 18 31.296 2.091 0.606 0.890 1.000 0.765 CB 1.626 18 residues pruned to eliminate duplicates Z: 20 53.854 2.242 1.139 0.921 1.000 0.842 CB 1.813 20 residues pruned to eliminate duplicates Z: 35 63.114 2.261 0.887 0.925 0.971 0.706 CB 1.834 35 residues pruned to eliminate duplicates Z: 24 50.731 2.331 0.801 0.886 0.957 0.870 CA 1.902 25 residues pruned to eliminate duplicates Z: 17 24.848 2.067 0.403 0.874 1.000 0.938 CB 1.560 17 residues pruned to eliminate duplicates Z: 31 41.917 2.084 0.640 0.875 1.000 0.833 CB 1.628 30 residues pruned to eliminate duplicates Z: 72 49.712 2.152 0.637 0.618 0.972 0.718 CB 1.541 72 residues pruned to eliminate duplicates Z: 25 38.807 2.242 0.560 0.884 0.958 0.917 CB 1.708 25 residues pruned to eliminate duplicates Z: 6 5.068 1.909 0.203 0.530 0.800 0.800 CB 1.197 6 residues pruned to eliminate duplicates Z: 14 10.848 1.908 0.331 0.511 0.923 0.846 CB 1.270 14 residues pruned to eliminate duplicates Z: 112 98.242 2.335 0.989 0.740 0.946 0.658 CB 1.712 112 residues pruned to eliminate duplicates Z: 20 42.187 2.202 0.894 0.905 1.000 0.842 CB 1.652 20 residues pruned to eliminate duplicates Z: 12 16.061 1.863 0.284 0.889 1.000 0.818 CB 1.457 12 residues pruned to eliminate duplicates Z: 34 39.788 2.209 0.933 0.611 0.939 0.667 CB 1.554 34 residues pruned to eliminate duplicates Z: 11 20.196 2.066 0.861 0.663 0.900 0.700 CB 1.587 11 residues pruned to eliminate duplicates Z: 39 63.342 2.301 0.799 0.901 0.974 0.816 CB 1.819 39 residues pruned to eliminate duplicates Z: 11 42.888 2.413 1.207 0.885 1.000 0.800 CB 1.839 11 residues pruned to eliminate duplicates Z: 9 31.318 2.228 1.369 0.751 1.000 1.000 CA 1.678 9 residues pruned to eliminate duplicates Z: 25 41.544 2.307 0.599 0.864 0.917 0.792 CA 1.838 25 residues pruned to eliminate duplicates Z: 22 61.731 2.386 1.364 0.943 1.000 0.667 CB 1.655 22 residues pruned to eliminate duplicates Z: 19 39.985 2.258 0.639 0.905 1.000 0.889 CA 1.813 19 residues pruned to eliminate duplicates Z: 14 31.499 1.999 0.940 0.889 1.000 0.923 CA 1.622 14 residues pruned to eliminate duplicates Z: 32 34.615 2.260 0.433 0.643 0.935 0.742 CB 1.795 31 residues pruned to eliminate duplicates Z: 24 51.010 2.185 1.091 0.940 0.957 0.870 CB 1.690 24 residues pruned to eliminate duplicates Z: 19 35.349 2.095 0.882 0.884 0.944 0.722 CB 1.617 19 residues pruned to eliminate duplicates Z: 11 20.700 2.123 0.322 0.917 1.000 0.900 CB 1.646 11 residues pruned to eliminate duplicates Z: 6 17.503 2.169 0.596 0.807 1.000 0.800 CB 1.731 6 residues pruned to eliminate duplicates Z: 19 41.442 2.447 0.511 0.881 1.000 0.778 CB 1.912 19 residues pruned to eliminate duplicates Z: 13 32.554 2.242 0.764 0.948 1.000 0.917 CB 1.641 13 residues pruned to eliminate duplicates Z: 6 11.854 2.261 0.029 0.799 1.000 0.800 CA 1.754 6 residues pruned to eliminate duplicates Z: 15 24.272 2.188 0.304 0.915 1.000 0.857 CB 1.607 15 residues pruned to eliminate duplicates Z: 21 36.652 2.276 0.463 0.873 0.950 0.850 CB 1.888 21 residues pruned to eliminate duplicates Z: 44 67.027 2.420 0.987 0.652 0.977 0.698 CB 1.888 44 residues pruned to eliminate duplicates Z: 42 48.146 2.367 0.857 0.653 0.902 0.610 CB 1.644 42 residues pruned to eliminate duplicates Z: 18 48.519 2.470 0.742 0.885 1.000 0.824 CB 1.975 18 residues pruned to eliminate duplicates Z: 26 38.744 2.170 0.620 0.859 0.920 0.840 CB 1.764 26 residues pruned to eliminate duplicates Z: 49 53.037 2.229 0.929 0.606 0.938 0.667 CB 1.716 49 residues pruned to eliminate duplicates Z: 9 21.558 2.138 0.757 0.835 1.000 1.000 CA 1.520 9 residues pruned to eliminate duplicates Z: 19 38.093 2.220 0.879 0.899 0.944 0.778 CB 1.629 19 residues pruned to eliminate duplicates Z: 25 39.227 2.286 0.465 0.869 0.958 0.750 C 1.823 25 residues pruned to eliminate duplicates Z: 37 44.044 2.311 0.644 0.657 0.944 0.806 CB 1.768 38 residues pruned to eliminate duplicates Z: 38 50.032 2.282 0.457 0.894 0.973 0.757 CB 1.824 38 residues pruned to eliminate duplicates Z: 6 7.777 2.095 -0.032 0.811 0.800 0.800 CB 1.634 6 residues pruned to eliminate duplicates Z: 16 25.585 2.306 0.523 0.597 0.933 0.400 CA 1.837 16 residues pruned to eliminate duplicates Z: 8 9.558 1.997 0.323 0.680 0.857 0.429 CB 1.352 8 residues pruned to eliminate duplicates Z: 58 40.426 2.103 0.848 0.472 0.947 0.684 CB 1.497 58 residues pruned to eliminate duplicates Z: 38 66.332 2.325 0.806 0.894 1.000 0.757 CB 1.863 38 residues pruned to eliminate duplicates Z: 15 29.809 1.977 0.918 0.849 1.000 0.571 CB 1.557 15 residues pruned to eliminate duplicates Z: 24 45.559 2.392 0.534 0.886 0.957 0.783 CA 1.953 24 residues pruned to eliminate duplicates Z: 22 60.376 2.450 1.175 0.936 1.000 0.952 CB 1.722 22 residues pruned to eliminate duplicates Z: 19 33.277 2.194 0.722 0.801 0.889 0.667 C 1.795 19 residues pruned to eliminate duplicates Z: 23 50.032 2.355 0.969 0.918 1.000 0.909 CB 1.623 23 residues pruned to eliminate duplicates Z: 13 24.450 2.251 0.699 0.713 0.917 0.750 CB 1.660 13 residues pruned to eliminate duplicates Z: 18 40.143 2.416 0.745 0.903 0.882 0.765 CB 1.865 18 residues pruned to eliminate duplicates Z: 21 20.715 1.884 0.604 0.615 0.950 0.650 CB 1.447 21 residues pruned to eliminate duplicates Z: 21 29.448 2.186 0.568 0.877 0.950 0.800 CB 1.468 21 residues pruned to eliminate duplicates Z: 25 35.520 2.205 0.488 0.863 0.958 0.750 CB 1.692 25 residues pruned to eliminate duplicates Z: 7 6.155 1.792 -0.030 0.729 0.833 0.500 CB 1.410 7 residues pruned to eliminate duplicates Z: 35 50.172 2.256 0.472 0.933 1.000 0.912 CB 1.808 35 residues pruned to eliminate duplicates Z: 26 24.698 2.114 0.612 0.450 0.920 0.640 CB 1.659 26 residues pruned to eliminate duplicates Z: 31 39.815 2.088 0.698 0.862 0.933 0.800 CB 1.613 31 residues pruned to eliminate duplicates Z: 18 29.465 2.110 0.477 0.898 1.000 0.882 C 1.640 18 residues pruned to eliminate duplicates Z: 34 32.338 2.209 0.488 0.643 0.879 0.788 CB 1.706 34 residues pruned to eliminate duplicates Z: 33 36.071 2.125 0.863 0.593 0.875 0.688 C 1.683 33 residues pruned to eliminate duplicates Z: 31 41.440 2.116 0.743 0.868 0.933 0.733 CB 1.606 32 residues pruned to eliminate duplicates Z: 42 39.383 2.175 0.925 0.603 0.927 0.683 CB 1.437 42 residues pruned to eliminate duplicates Z: 40 52.856 2.299 0.578 0.830 0.949 0.769 CB 1.849 40 residues pruned to eliminate duplicates Z: 7 8.402 1.839 0.059 0.811 1.000 1.000 C 1.344 7 residues pruned to eliminate duplicates Z: 26 36.115 2.269 0.342 0.837 0.960 0.800 CA 1.848 26 residues pruned to eliminate duplicates Z: 37 42.677 2.274 0.629 0.680 0.861 0.750 CA 1.890 33 residues pruned to eliminate duplicates Z: 16 24.881 2.176 0.193 0.927 1.000 0.933 CA 1.735 16 residues pruned to eliminate duplicates Z: 18 33.550 2.114 0.692 0.904 1.000 0.824 CB 1.620 18 residues pruned to eliminate duplicates Z: 36 46.789 2.089 0.785 0.768 1.000 0.657 CB 1.672 31 residues pruned to eliminate duplicates Z: 44 55.711 2.325 0.798 0.661 0.930 0.721 CB 1.882 44 residues pruned to eliminate duplicates Z: 35 51.372 2.263 0.477 0.934 1.000 1.000 CB 1.838 35 residues pruned to eliminate duplicates Z: 16 33.042 2.169 0.718 0.896 1.000 0.800 CB 1.640 16 residues pruned to eliminate duplicates Z: 19 45.004 2.292 0.864 0.877 1.000 0.833 C 1.802 19 residues pruned to eliminate duplicates Z: 7 7.282 1.632 0.464 0.716 1.000 0.500 CB 1.024 Z: 19 46.788 2.272 0.921 0.897 1.000 0.833 CB 1.808 19 residues pruned to eliminate duplicates Z: 20 44.388 2.180 0.938 0.923 1.000 0.947 C 1.695 20 residues pruned to eliminate duplicates Z: 12 13.911 1.874 0.173 0.886 0.909 0.818 CA 1.514 12 residues pruned to eliminate duplicates Z: 22 64.557 2.434 1.351 0.954 1.000 1.000 CB 1.694 22 residues pruned to eliminate duplicates Z: 19 46.758 2.230 1.027 0.920 1.000 0.667 C 1.717 19 residues pruned to eliminate duplicates Z: 9 11.267 1.899 0.414 0.827 0.875 0.750 CB 1.278 Z: 36 29.414 1.985 0.733 0.573 1.000 0.743 CB 1.347 36 residues pruned to eliminate duplicates Z: 20 36.550 2.266 0.598 0.867 1.000 0.789 CB 1.694 20 residues pruned to eliminate duplicates Z: 6 5.848 1.781 0.042 0.663 1.000 0.800 N 1.212 Z: 8 4.100 1.731 0.368 0.459 0.857 0.571 CB 0.796 Z: 17 18.703 2.113 0.440 0.512 0.938 0.562 CB 1.621 17 residues pruned to eliminate duplicates Z: 16 28.446 2.331 0.503 0.665 1.000 0.667 CA 1.800 17 residues pruned to eliminate duplicates Z: 25 19.340 2.028 0.594 0.466 0.917 0.625 CB 1.379 26 residues pruned to eliminate duplicates Z: 46 53.278 2.202 0.884 0.672 0.978 0.689 CB 1.671 46 residues pruned to eliminate duplicates Z: 34 71.170 2.271 1.095 0.944 0.970 0.758 CB 1.860 34 residues pruned to eliminate duplicates Z: 24 35.336 2.279 0.325 0.870 0.957 0.913 CB 1.862 24 residues pruned to eliminate duplicates Z: 20 14.991 1.971 0.588 0.374 0.842 0.526 CB 1.494 20 residues pruned to eliminate duplicates Z: 34 45.045 2.361 0.825 0.717 0.939 0.636 CB 1.592 34 residues pruned to eliminate duplicates Z: 16 34.215 2.094 0.787 0.927 1.000 0.867 CB 1.656 16 residues pruned to eliminate duplicates Z: 19 31.217 2.215 0.437 0.879 0.944 0.833 CB 1.776 19 residues pruned to eliminate duplicates Z: 15 28.510 1.982 0.720 0.890 1.000 0.929 CA 1.608 15 residues pruned to eliminate duplicates Z: 18 33.516 2.226 0.731 0.865 0.941 0.765 CB 1.642 18 residues pruned to eliminate duplicates Z: 60 49.458 2.150 0.883 0.556 0.966 0.695 CB 1.558 60 residues pruned to eliminate duplicates Z: 9 12.316 1.913 0.710 0.595 0.875 0.750 CB 1.390 9 residues pruned to eliminate duplicates Z: 40 49.548 2.289 0.384 0.892 1.000 0.949 CB 1.798 40 residues pruned to eliminate duplicates Z: 22 56.097 2.249 1.209 0.947 1.000 0.571 CB 1.703 22 residues pruned to eliminate duplicates Z: 14 28.080 2.342 0.657 0.832 0.846 0.692 CB 1.780 14 residues pruned to eliminate duplicates Z: 14 24.657 2.226 0.841 0.552 0.923 0.615 CB 1.719 14 residues pruned to eliminate duplicates Z: 12 24.396 1.864 0.915 0.894 1.000 1.000 CB 1.478 12 residues pruned to eliminate duplicates Z: 38 55.584 2.310 0.851 0.673 0.973 0.784 CB 1.871 38 residues pruned to eliminate duplicates Z: 22 56.898 2.434 1.156 0.940 1.000 0.952 CB 1.642 22 residues pruned to eliminate duplicates Z: 31 25.219 1.944 0.739 0.558 1.000 0.567 CB 1.288 31 residues pruned to eliminate duplicates Z: 28 26.171 2.038 0.667 0.433 0.963 0.556 CB 1.650 28 residues pruned to eliminate duplicates Z: 54 54.811 2.349 0.686 0.614 0.906 0.698 CB 1.883 54 residues pruned to eliminate duplicates Z: 94 94.583 2.370 0.860 0.774 0.968 0.753 CB 1.804 94 residues pruned to eliminate duplicates Z: 44 41.343 2.193 0.650 0.606 0.953 0.558 CB 1.652 80 residues pruned to eliminate duplicates Z: 39 71.590 2.311 0.912 0.882 1.000 0.684 CB 1.902 39 residues pruned to eliminate duplicates Z: 8 4.206 1.840 0.229 0.511 0.714 0.429 CB 0.974 16 residues pruned to eliminate duplicates Z: 18 42.522 2.293 0.831 0.905 1.000 0.647 CB 1.749 18 residues pruned to eliminate duplicates Z: 12 32.044 2.109 0.928 0.895 1.000 0.909 CA 1.703 12 residues pruned to eliminate duplicates Z: 62 44.292 2.123 0.804 0.514 0.951 0.672 CB 1.535 62 residues pruned to eliminate duplicates Z: 22 18.168 1.919 0.800 0.458 0.952 0.571 CB 1.259 22 residues pruned to eliminate duplicates 8 1.887 1.640 0.054 0.390 0.714 0.571 CB 0.649 ? Z: 72 50.172 2.124 0.633 0.627 0.944 0.648 CB 1.614 72 residues pruned to eliminate duplicates Z: 15 23.701 2.014 0.813 0.759 0.857 0.786 CB 1.608 15 residues pruned to eliminate duplicates Z: 6 8.080 2.026 0.055 0.784 1.000 0.600 CB 1.317 6 residues pruned to eliminate duplicates Z: 20 12.565 1.934 0.470 0.349 0.895 0.368 CB 1.334 6 residues pruned to eliminate duplicates Z: 6 12.524 1.996 0.874 0.858 1.000 0.400 CB 1.103 7 residues pruned to eliminate duplicates Z: 7 9.576 1.949 0.471 0.740 0.833 0.500 CB 1.319 7 residues pruned to eliminate duplicates Z: 24 50.321 2.227 1.038 0.911 1.000 0.957 CB 1.639 24 residues pruned to eliminate duplicates Z: 28 23.724 2.014 0.594 0.465 0.926 0.667 CB 1.593 28 residues pruned to eliminate duplicates Z: 8 14.757 2.044 0.467 0.804 0.857 0.857 CA 1.664 8 residues pruned to eliminate duplicates Z: 19 41.822 2.279 0.754 0.894 1.000 0.722 CB 1.769 19 residues pruned to eliminate duplicates Z: 13 18.464 1.842 0.413 0.920 1.000 1.000 CB 1.442 13 residues pruned to eliminate duplicates Z: 25 40.651 2.303 0.600 0.805 0.958 0.625 CB 1.801 6 residues pruned to eliminate duplicates Z: 23 62.907 2.224 1.463 0.955 1.000 0.727 CB 1.682 23 residues pruned to eliminate duplicates Z: 13 15.844 1.881 0.336 0.879 0.917 0.917 CB 1.439 13 residues pruned to eliminate duplicates Z: 13 27.093 1.995 0.907 0.832 0.917 0.750 CB 1.683 13 residues pruned to eliminate duplicates Z: 39 76.550 2.309 1.048 0.897 1.000 0.632 CB 1.880 39 residues pruned to eliminate duplicates Z: 25 39.926 2.195 0.786 0.920 1.000 0.875 CB 1.465 25 residues pruned to eliminate duplicates Z: 33 49.471 2.290 0.426 0.923 1.000 0.969 CB 1.882 33 residues pruned to eliminate duplicates Z: 25 36.082 2.188 0.398 0.867 1.000 0.708 CA 1.762 25 residues pruned to eliminate duplicates Z: 41 70.246 2.237 0.981 0.913 1.000 0.750 C 1.773 41 residues pruned to eliminate duplicates Z: 13 31.201 2.115 1.046 0.908 0.917 0.583 C 1.612 13 residues pruned to eliminate duplicates Z: 15 25.692 2.105 0.440 0.904 1.000 0.714 CB 1.613 15 residues pruned to eliminate duplicates Z: 9 7.609 1.781 0.184 0.663 0.875 0.625 CA 1.253 9 residues pruned to eliminate duplicates Z: 30 40.825 2.044 0.717 0.890 0.966 0.552 CB 1.609 30 residues pruned to eliminate duplicates Z: 29 41.460 2.104 0.748 0.845 0.964 0.821 CB 1.642 29 residues pruned to eliminate duplicates Z: 25 21.984 1.997 0.565 0.529 0.958 0.667 CB 1.457 26 residues pruned to eliminate duplicates Z: 25 30.516 2.145 0.369 0.831 0.958 0.792 CB 1.663 25 residues pruned to eliminate duplicates Z: 7 14.738 2.212 0.344 0.865 0.833 0.500 CB 1.779 7 residues pruned to eliminate duplicates Z: 23 39.348 2.224 0.556 0.866 1.000 0.864 CB 1.775 23 residues pruned to eliminate duplicates Z: 9 10.362 1.960 0.356 0.388 1.000 0.625 CB 1.553 9 residues pruned to eliminate duplicates Z: 50 47.712 2.211 0.722 0.614 0.939 0.592 CB 1.712 50 residues pruned to eliminate duplicates Z: 11 23.160 1.925 1.063 0.879 1.000 0.800 CB 1.337 11 residues pruned to eliminate duplicates Z: 31 46.716 2.104 0.887 0.885 0.967 0.500 CB 1.605 31 residues pruned to eliminate duplicates Z: 89 65.557 2.300 0.845 0.573 0.886 0.614 CB 1.731 89 residues pruned to eliminate duplicates Z: 12 14.097 1.664 0.570 0.896 1.000 0.545 CB 1.166 12 residues pruned to eliminate duplicates Z: 40 57.566 2.282 0.620 0.868 0.974 0.821 CA 1.872 40 residues pruned to eliminate duplicates Z: 7 20.438 2.312 0.425 0.855 1.000 0.333 CB 1.869 7 residues pruned to eliminate duplicates Z: 39 52.946 2.265 0.520 0.878 1.000 0.895 CB 1.810 39 residues pruned to eliminate duplicates Z: 22 47.167 2.258 0.974 0.943 0.952 0.857 CB 1.680 22 residues pruned to eliminate duplicates Z: 40 52.362 2.284 0.489 0.873 0.974 0.949 CB 1.843 40 residues pruned to eliminate duplicates Z: 25 37.722 2.227 0.547 0.852 0.958 0.708 CB 1.724 25 residues pruned to eliminate duplicates Z: 51 38.168 2.121 0.584 0.587 0.880 0.680 CB 1.679 45 residues pruned to eliminate duplicates Z: 17 24.752 2.084 0.481 0.883 0.938 0.812 CB 1.547 17 residues pruned to eliminate duplicates Z: 13 11.146 1.576 0.437 0.889 0.917 0.833 CB 1.116 13 residues pruned to eliminate duplicates Z: 68 90.462 2.298 1.117 0.801 0.970 0.701 CB 1.800 68 residues pruned to eliminate duplicates Z: 10 18.808 1.939 0.835 0.799 1.000 0.778 CB 1.356 10 residues pruned to eliminate duplicates Z: 12 12.453 1.656 0.361 0.924 1.000 0.818 CB 1.170 12 residues pruned to eliminate duplicates Z: 92 98.111 2.355 1.069 0.778 0.934 0.769 CB 1.768 107 residues pruned to eliminate duplicates Z: 14 13.741 2.034 0.076 0.807 0.769 0.538 C 1.732 14 residues pruned to eliminate duplicates Z: 19 35.984 2.352 0.647 0.853 0.944 0.833 C 1.713 19 residues pruned to eliminate duplicates Z: 20 19.167 2.146 0.037 0.812 0.895 0.737 CB 1.684 Z: 18 40.146 2.269 0.624 0.931 1.000 0.941 C 1.847 18 residues pruned to eliminate duplicates Z: 46 58.611 2.341 0.963 0.626 0.933 0.622 CB 1.809 46 residues pruned to eliminate duplicates Z: 24 52.176 2.384 0.673 0.888 1.000 0.783 C 1.966 24 residues pruned to eliminate duplicates Z: 6 4.681 2.090 0.216 0.338 0.600 0.600 CA 1.638 Z: 14 11.600 1.952 0.203 0.448 0.923 0.538 CA 1.566 13 residues pruned to eliminate duplicates Z: 9 15.817 1.907 0.890 0.804 0.875 0.875 C 1.360 9 residues pruned to eliminate duplicates Z: 30 34.967 2.058 0.766 0.847 0.862 0.690 CB 1.539 30 residues pruned to eliminate duplicates Z: 10 6.604 1.560 0.356 0.663 0.889 0.444 CB 1.007 10 residues pruned to eliminate duplicates Z: 31 44.285 2.113 0.748 0.872 1.000 0.667 CB 1.595 31 residues pruned to eliminate duplicates Z: 40 78.981 2.322 1.103 0.901 1.000 0.821 C 1.848 40 residues pruned to eliminate duplicates Z: 14 40.635 2.125 1.146 0.932 1.000 0.923 CA 1.726 14 residues pruned to eliminate duplicates Z: 6 6.604 1.711 0.157 0.782 1.000 0.400 CA 1.164 6 residues pruned to eliminate duplicates Z: 17 31.949 2.157 0.592 0.909 1.000 0.812 CB 1.651 17 residues pruned to eliminate duplicates Z: 24 54.355 2.199 1.118 0.938 0.957 0.783 CB 1.769 24 residues pruned to eliminate duplicates Z: 13 38.917 2.141 1.125 0.935 1.000 0.833 C 1.721 8 residues pruned to eliminate duplicates Z: 25 37.830 2.202 0.566 0.841 0.958 0.833 CA 1.743 25 residues pruned to eliminate duplicates Z: 18 46.197 2.495 0.661 0.871 1.000 0.882 CB 1.973 18 residues pruned to eliminate duplicates Z: 38 61.780 2.379 0.967 0.672 1.000 0.757 CB 1.853 38 residues pruned to eliminate duplicates Z: 10 18.683 1.693 1.153 0.744 1.000 0.889 C 1.374 10 residues pruned to eliminate duplicates Z: 7 8.534 2.145 0.645 0.791 0.500 0.500 C 1.530 7 residues pruned to eliminate duplicates Z: 22 58.022 2.369 1.270 0.936 1.000 0.762 CB 1.639 22 residues pruned to eliminate duplicates Z: 46 45.896 2.183 0.656 0.642 0.978 0.689 CB 1.695 51 residues pruned to eliminate duplicates Z: 8 10.191 1.752 0.716 0.624 1.000 0.714 CA 1.139 7 residues pruned to eliminate duplicates Z: 20 41.625 2.159 0.931 0.868 1.000 0.526 CB 1.674 20 residues pruned to eliminate duplicates Z: 12 23.916 1.964 0.650 0.904 1.000 1.000 CB 1.585 12 residues pruned to eliminate duplicates Z: 13 23.190 1.833 0.970 0.903 0.917 0.917 CB 1.441 13 residues pruned to eliminate duplicates Z: 31 39.545 2.095 0.654 0.868 0.967 0.833 CB 1.575 31 residues pruned to eliminate duplicates Z: 16 29.233 2.075 0.713 0.930 0.933 0.867 CB 1.591 16 residues pruned to eliminate duplicates Z: 72 80.627 2.305 0.895 0.751 0.944 0.761 CB 1.856 72 residues pruned to eliminate duplicates Z: 24 35.231 2.145 0.642 0.888 0.957 0.870 CB 1.571 24 residues pruned to eliminate duplicates Z: 25 41.455 2.224 0.641 0.874 0.958 0.708 CB 1.760 25 residues pruned to eliminate duplicates Z: 7 8.573 1.975 0.297 0.657 0.833 0.667 CA 1.417 7 residues pruned to eliminate duplicates Z: 9 20.231 1.831 1.039 0.737 1.000 0.875 C 1.549 9 residues pruned to eliminate duplicates Z: 13 20.712 2.055 0.313 0.889 1.000 1.000 CB 1.594 13 residues pruned to eliminate duplicates Z: 11 15.822 1.995 0.617 0.634 0.900 0.900 CB 1.521 11 residues pruned to eliminate duplicates Z: 17 34.486 2.122 0.895 0.892 0.938 0.875 CB 1.643 17 residues pruned to eliminate duplicates Z: 7 5.890 1.897 -0.240 0.883 1.000 1.000 CB 1.206 7 residues pruned to eliminate duplicates Z: 34 79.985 2.287 1.346 0.949 1.000 0.758 C 1.791 34 residues pruned to eliminate duplicates Z: 8 25.678 2.202 0.721 0.843 1.000 0.857 CA 1.906 8 residues pruned to eliminate duplicates Z: 7 6.102 1.533 0.836 0.836 1.000 0.667 N 0.662 Z: 6 5.562 1.712 -0.020 0.858 1.000 0.800 CB 1.092 6 residues pruned to eliminate duplicates Z: 40 59.427 2.226 0.846 0.848 0.949 0.564 CB 1.811 40 residues pruned to eliminate duplicates Z: 11 16.349 2.192 0.868 0.454 0.800 0.700 CA 1.655 11 residues pruned to eliminate duplicates Z: 27 40.234 2.264 0.917 0.576 1.000 0.615 CB 1.690 27 residues pruned to eliminate duplicates Z: 13 12.166 1.581 0.455 0.852 0.917 0.667 CB 1.231 13 residues pruned to eliminate duplicates Z: 9 7.203 1.816 0.149 0.435 1.000 0.375 CB 1.306 Z: 20 12.921 1.866 0.462 0.382 0.947 0.526 CB 1.300 15 residues pruned to eliminate duplicates Z: 13 20.725 2.067 0.583 0.769 0.833 0.667 CB 1.729 13 residues pruned to eliminate duplicates Z: 15 26.488 2.144 0.442 0.889 1.000 0.929 CB 1.649 15 residues pruned to eliminate duplicates Z: 30 22.781 1.964 0.648 0.560 0.966 0.690 CB 1.278 30 residues pruned to eliminate duplicates Z: 7 8.524 1.818 0.215 0.750 0.833 0.500 C 1.513 7 residues pruned to eliminate duplicates Z: 8 21.322 2.274 0.371 0.884 1.000 0.571 CA 1.867 8 residues pruned to eliminate duplicates Z: 8 5.163 1.772 0.511 0.333 0.857 0.571 CA 1.021 8 residues pruned to eliminate duplicates Z: 15 23.348 2.194 0.498 0.622 1.000 0.500 CB 1.692 15 residues pruned to eliminate duplicates Z: 7 3.247 1.606 0.206 0.512 0.833 0.333 CB 0.812 7 residues pruned to eliminate duplicates Z: 16 24.274 2.071 0.349 0.920 1.000 0.933 CB 1.580 16 residues pruned to eliminate duplicates Z: 10 25.043 2.260 0.575 0.890 1.000 0.889 CB 1.687 10 residues pruned to eliminate duplicates Z: 24 36.509 2.239 0.473 0.859 0.957 0.783 CB 1.775 24 residues pruned to eliminate duplicates Z: 35 79.244 2.245 1.344 0.940 1.000 0.676 C 1.793 35 residues pruned to eliminate duplicates Z: 71 52.445 2.170 0.689 0.616 0.957 0.700 CB 1.602 71 residues pruned to eliminate duplicates Z: 8 14.184 2.081 0.289 0.795 1.000 0.714 CA 1.544 8 residues pruned to eliminate duplicates Z: 22 28.440 2.248 0.519 0.777 0.952 0.857 CB 1.494 22 residues pruned to eliminate duplicates Z: 12 13.585 1.679 0.486 0.892 1.000 0.818 CB 1.179 12 residues pruned to eliminate duplicates Z: 75 65.888 2.265 0.874 0.626 0.946 0.770 CB 1.694 75 residues pruned to eliminate duplicates Z: 18 35.675 2.216 0.927 0.894 0.882 0.824 CB 1.647 18 residues pruned to eliminate duplicates Z: 23 50.955 2.224 1.015 0.952 1.000 0.818 CB 1.670 23 residues pruned to eliminate duplicates Z: 8 19.033 1.992 0.984 0.812 1.000 0.571 CB 1.388 8 residues pruned to eliminate duplicates Z: 20 38.700 2.199 0.971 0.840 0.895 0.684 CB 1.708 20 residues pruned to eliminate duplicates Z: 22 54.914 2.291 1.149 0.953 0.952 0.714 CB 1.759 22 residues pruned to eliminate duplicates Z: 72 74.953 2.232 0.976 0.772 0.944 0.775 CB 1.680 72 residues pruned to eliminate duplicates Z: 18 16.845 1.920 0.768 0.574 0.941 0.647 CB 1.190 18 residues pruned to eliminate duplicates Z: 21 24.221 2.023 0.334 0.816 0.950 0.800 CA 1.605 21 residues pruned to eliminate duplicates Z: 43 34.573 2.061 0.644 0.581 0.905 0.667 CB 1.609 43 residues pruned to eliminate duplicates Z: 9 28.294 2.301 0.858 0.808 1.000 0.750 CA 1.788 9 residues pruned to eliminate duplicates Z: 8 9.736 1.935 0.583 0.704 0.857 0.571 CB 1.164 8 residues pruned to eliminate duplicates Z: 7 7.187 1.930 0.123 0.402 1.000 0.667 CB 1.502 8 residues pruned to eliminate duplicates Z: 22 51.050 2.281 1.022 0.948 1.000 0.905 CB 1.668 22 residues pruned to eliminate duplicates Z: 32 25.539 2.170 0.790 0.479 0.839 0.677 CB 1.438 32 residues pruned to eliminate duplicates Z: 13 10.799 1.605 0.381 0.881 0.917 0.833 CB 1.111 13 residues pruned to eliminate duplicates Z: 35 37.046 2.120 0.750 0.637 0.912 0.735 CB 1.652 35 residues pruned to eliminate duplicates Z: 12 24.396 2.243 0.367 0.927 1.000 0.909 CA 1.682 12 residues pruned to eliminate duplicates Z: 44 62.051 2.370 0.889 0.650 0.977 0.674 CB 1.882 44 residues pruned to eliminate duplicates Z: 9 10.337 2.302 0.021 0.429 1.000 0.625 CB 1.674 10 residues pruned to eliminate duplicates Z: 12 18.041 2.246 0.121 0.831 0.909 0.818 CB 1.786 12 residues pruned to eliminate duplicates Z: 22 64.654 2.298 1.363 0.958 1.000 0.857 CB 1.782 22 residues pruned to eliminate duplicates Z: 31 36.371 1.997 0.798 0.902 0.900 0.533 CB 1.465 31 residues pruned to eliminate duplicates Z: 76 94.003 2.334 1.077 0.770 1.000 0.733 CB 1.763 76 residues pruned to eliminate duplicates Z: 20 41.786 2.287 0.887 0.914 1.000 0.895 CB 1.570 20 residues pruned to eliminate duplicates Z: 41 41.938 2.150 0.772 0.637 0.875 0.575 CB 1.749 41 residues pruned to eliminate duplicates Z: 14 19.494 1.782 0.745 0.853 0.923 0.923 CB 1.393 14 residues pruned to eliminate duplicates Z: 12 11.492 1.661 0.450 0.895 0.909 0.727 CB 1.135 12 residues pruned to eliminate duplicates Z: 30 34.094 1.960 0.840 0.856 0.931 0.724 CB 1.391 30 residues pruned to eliminate duplicates Z: 50 44.686 2.159 0.679 0.617 0.939 0.735 CB 1.680 28 residues pruned to eliminate duplicates Z: 13 18.951 1.854 0.760 0.575 1.000 0.750 C 1.560 13 residues pruned to eliminate duplicates Z: 11 13.294 1.943 0.251 0.901 0.800 0.800 C 1.544 11 residues pruned to eliminate duplicates Z: 22 40.990 2.340 0.828 0.936 1.000 0.952 CB 1.456 22 residues pruned to eliminate duplicates Z: 6 7.843 1.861 0.094 0.855 1.000 1.000 CB 1.271 6 residues pruned to eliminate duplicates Z: 29 34.970 2.240 0.404 0.706 0.964 0.750 CA 1.808 29 residues pruned to eliminate duplicates Z: 17 34.245 2.268 0.817 0.885 0.875 0.750 CB 1.715 17 residues pruned to eliminate duplicates Z: 20 49.227 2.159 1.095 0.950 1.000 0.579 CB 1.722 20 residues pruned to eliminate duplicates Z: 26 17.261 1.992 0.396 0.464 0.920 0.720 CB 1.399 26 residues pruned to eliminate duplicates Z: 26 30.195 2.096 0.355 0.841 0.920 0.760 CB 1.723 25 residues pruned to eliminate duplicates Z: 53 33.144 2.068 0.531 0.582 0.885 0.692 CB 1.517 43 residues pruned to eliminate duplicates Z: 18 54.335 2.292 1.074 0.951 1.000 0.765 CA 1.911 18 residues pruned to eliminate duplicates Z: 26 45.234 2.228 0.751 0.889 0.920 0.760 C 1.814 26 residues pruned to eliminate duplicates Z: 6 4.661 2.149 0.224 0.162 0.800 0.800 CA 1.496 6 residues pruned to eliminate duplicates Z: 9 18.914 1.786 1.072 0.746 1.000 0.875 C 1.451 9 residues pruned to eliminate duplicates Z: 24 49.893 2.290 0.941 0.928 1.000 0.913 CB 1.639 24 residues pruned to eliminate duplicates Z: 8 31.112 2.163 1.401 0.807 1.000 0.857 CB 1.733 8 residues pruned to eliminate duplicates Z: 9 11.966 1.913 0.595 0.685 0.875 0.625 CA 1.337 9 residues pruned to eliminate duplicates Z: 16 26.299 2.130 0.517 0.862 0.933 0.733 CB 1.654 16 residues pruned to eliminate duplicates Z: 14 40.052 2.147 1.179 0.919 1.000 0.846 C 1.673 14 residues pruned to eliminate duplicates Z: 6 6.825 1.630 1.068 0.727 1.000 0.800 CB 0.738 Z: 17 19.025 2.058 0.556 0.473 0.938 0.750 C 1.628 17 residues pruned to eliminate duplicates Z: 9 13.479 1.750 0.640 0.784 1.000 0.500 C 1.293 9 residues pruned to eliminate duplicates Z: 47 34.584 2.085 0.574 0.574 0.913 0.609 CB 1.584 47 residues pruned to eliminate duplicates Z: 61 88.482 2.327 1.108 0.824 0.983 0.750 CB 1.788 61 residues pruned to eliminate duplicates Z: 26 15.443 1.967 0.576 0.425 0.760 0.640 CB 1.417 26 residues pruned to eliminate duplicates Z: 51 75.115 2.445 1.083 0.753 0.960 0.800 CB 1.734 51 residues pruned to eliminate duplicates Z: 8 5.764 1.892 0.352 0.338 1.000 0.714 CB 1.017 Z: 28 44.392 2.341 0.859 0.725 0.963 0.815 CB 1.665 28 residues pruned to eliminate duplicates Z: 18 26.224 2.168 0.783 0.505 0.941 0.529 CB 1.739 18 residues pruned to eliminate duplicates Z: 12 13.031 1.631 0.542 0.907 1.000 0.909 CB 1.110 12 residues pruned to eliminate duplicates Z: 15 32.468 2.119 0.741 0.931 1.000 0.857 CB 1.643 15 residues pruned to eliminate duplicates Z: 68 100.495 2.359 1.168 0.805 1.000 0.716 CB 1.839 68 residues pruned to eliminate duplicates 7 1.864 1.456 0.026 0.306 0.833 0.667 CB 0.759 ? Z: 21 51.174 2.294 1.050 0.946 1.000 0.950 CB 1.683 21 residues pruned to eliminate duplicates Z: 40 38.889 2.041 0.804 0.634 0.923 0.615 CB 1.616 40 residues pruned to eliminate duplicates Z: 9 11.922 1.987 0.410 0.760 0.875 0.500 CB 1.365 9 residues pruned to eliminate duplicates Z: 8 9.683 2.025 0.157 0.462 1.000 0.714 CB 1.623 8 residues pruned to eliminate duplicates Z: 110 83.794 2.313 0.828 0.678 0.917 0.679 CB 1.757 110 residues pruned to eliminate duplicates Z: 98 84.321 2.291 0.833 0.757 0.948 0.804 CB 1.710 98 residues pruned to eliminate duplicates Z: 6 6.916 1.823 -0.071 0.838 1.000 0.800 CB 1.366 6 residues pruned to eliminate duplicates Z: 9 7.009 1.565 0.373 0.761 0.875 0.625 CB 1.046 9 residues pruned to eliminate duplicates Z: 19 27.286 2.080 0.665 0.869 0.944 0.667 CB 1.436 19 residues pruned to eliminate duplicates Z: 19 41.687 2.360 0.728 0.905 1.000 0.889 CB 1.714 19 residues pruned to eliminate duplicates Z: 58 46.898 2.131 0.919 0.504 0.965 0.684 CB 1.568 58 residues pruned to eliminate duplicates Z: 9 15.274 1.973 0.767 0.551 1.000 0.750 CA 1.474 9 residues pruned to eliminate duplicates Z: 8 9.281 1.749 0.357 0.654 1.000 0.857 CA 1.281 8 residues pruned to eliminate duplicates Z: 18 31.138 2.371 0.415 0.893 0.882 0.765 CB 1.831 18 residues pruned to eliminate duplicates Z: 7 24.935 2.139 0.978 0.885 1.000 1.000 CB 1.737 7 residues pruned to eliminate duplicates Z: 9 7.351 1.710 0.030 0.752 1.000 0.500 CA 1.178 9 residues pruned to eliminate duplicates Z: 22 39.309 2.274 0.623 0.957 1.000 0.952 CB 1.595 22 residues pruned to eliminate duplicates Z: 34 46.763 2.198 0.973 0.660 0.939 0.667 CB 1.723 34 residues pruned to eliminate duplicates Z: 6 12.248 2.316 0.329 0.710 0.800 0.800 CB 1.839 6 residues pruned to eliminate duplicates Z: 46 30.473 2.032 0.418 0.597 0.956 0.667 CB 1.505 42 residues pruned to eliminate duplicates Z: 30 40.705 2.202 0.931 0.693 0.931 0.724 CB 1.601 30 residues pruned to eliminate duplicates Z: 12 14.602 2.109 0.154 0.794 0.818 0.727 CB 1.709 19 residues pruned to eliminate duplicates Z: 31 46.708 2.102 0.896 0.839 1.000 0.733 CB 1.599 31 residues pruned to eliminate duplicates Z: 37 42.393 2.266 0.754 0.686 0.917 0.639 CB 1.636 79 residues pruned to eliminate duplicates Z: 35 38.252 2.203 0.787 0.596 0.971 0.676 CB 1.567 35 residues pruned to eliminate duplicates Z: 12 13.233 1.650 0.499 0.908 1.000 0.818 CB 1.145 12 residues pruned to eliminate duplicates Z: 9 15.857 2.109 0.433 0.605 1.000 0.750 CB 1.678 Z: 24 48.337 2.370 0.639 0.891 0.957 0.739 C 1.949 24 residues pruned to eliminate duplicates Z: 11 8.771 1.664 0.514 0.534 1.000 0.800 CB 1.065 11 residues pruned to eliminate duplicates Z: 12 4.370 1.770 0.098 0.479 0.727 0.545 CB 0.952 12 residues pruned to eliminate duplicates Z: 31 33.622 1.938 0.662 0.883 0.967 0.700 CB 1.425 31 residues pruned to eliminate duplicates Z: 69 76.366 2.306 0.835 0.769 0.985 0.721 CB 1.750 69 residues pruned to eliminate duplicates Z: 35 41.182 2.135 0.805 0.629 0.941 0.735 CB 1.724 35 residues pruned to eliminate duplicates Z: 17 32.230 2.066 0.914 0.775 1.000 0.938 CB 1.599 17 residues pruned to eliminate duplicates Z: 19 34.554 2.131 0.957 0.849 0.889 0.611 CB 1.629 19 residues pruned to eliminate duplicates Z: 54 38.407 2.103 0.604 0.549 0.925 0.604 CB 1.613 58 residues pruned to eliminate duplicates Z: 7 6.853 1.747 0.165 0.757 0.833 0.667 CB 1.312 7 residues pruned to eliminate duplicates Z: 25 41.449 2.237 0.616 0.895 0.958 0.792 C 1.750 25 residues pruned to eliminate duplicates Z: 8 10.121 1.926 0.360 0.805 1.000 0.857 CB 1.119 Z: 31 39.306 1.982 0.937 0.864 0.933 0.567 CB 1.469 31 residues pruned to eliminate duplicates Z: 21 49.827 2.205 1.138 0.904 0.950 0.750 CB 1.772 21 residues pruned to eliminate duplicates Z: 28 26.515 1.987 0.583 0.630 0.963 0.815 CB 1.491 28 residues pruned to eliminate duplicates Z: 7 6.720 1.331 0.498 0.886 1.000 1.000 N 0.993 7 residues pruned to eliminate duplicates Z: 8 21.401 2.282 0.554 0.861 1.000 0.714 CB 1.676 8 residues pruned to eliminate duplicates Z: 23 51.198 2.299 1.172 0.942 1.000 0.773 CB 1.516 23 residues pruned to eliminate duplicates Z: 10 22.922 2.069 0.934 0.723 1.000 1.000 CA 1.561 10 residues pruned to eliminate duplicates Z: 19 30.491 2.129 0.468 0.914 1.000 0.889 CB 1.626 19 residues pruned to eliminate duplicates Z: 7 6.548 1.740 0.248 0.840 0.833 0.667 CB 1.103 7 residues pruned to eliminate duplicates Z: 69 80.490 2.284 0.911 0.799 0.985 0.735 CB 1.747 77 residues pruned to eliminate duplicates Z: 32 37.106 2.220 0.877 0.610 0.871 0.613 CB 1.655 32 residues pruned to eliminate duplicates Z: 70 55.179 2.250 0.455 0.730 0.971 0.797 CB 1.699 70 residues pruned to eliminate duplicates Z: 32 38.412 2.050 0.699 0.837 0.968 0.742 CB 1.531 32 residues pruned to eliminate duplicates Z: 7 9.502 1.620 0.556 0.813 1.000 1.000 CA 1.172 7 residues pruned to eliminate duplicates Z: 7 4.748 2.019 0.080 0.285 0.833 0.833 C 1.359 7 residues pruned to eliminate duplicates Z: 19 47.683 2.258 1.028 0.932 1.000 0.778 CB 1.714 19 residues pruned to eliminate duplicates Z: 10 19.873 2.116 0.648 0.808 1.000 0.667 CA 1.452 10 residues pruned to eliminate duplicates Z: 24 45.410 2.270 0.861 0.918 1.000 0.870 CB 1.581 24 residues pruned to eliminate duplicates Z: 10 17.110 1.889 0.715 0.653 1.000 0.667 C 1.527 9 residues pruned to eliminate duplicates Z: 24 43.114 2.307 0.568 0.883 0.957 0.826 CA 1.878 24 residues pruned to eliminate duplicates Z: 10 11.549 2.039 0.351 0.513 1.000 0.667 CB 1.380 10 residues pruned to eliminate duplicates Z: 37 39.352 2.249 0.627 0.655 0.861 0.694 CB 1.801 37 residues pruned to eliminate duplicates Z: 7 13.796 2.083 0.281 0.791 1.000 0.667 CA 1.635 7 residues pruned to eliminate duplicates Z: 12 5.569 1.613 0.046 0.395 0.909 0.636 CB 1.223 12 residues pruned to eliminate duplicates Z: 12 10.128 1.638 0.378 0.875 0.909 0.545 CB 1.082 12 residues pruned to eliminate duplicates Z: 21 35.194 2.246 0.519 0.899 1.000 0.750 CB 1.648 21 residues pruned to eliminate duplicates Z: 12 9.923 1.880 0.522 0.366 0.818 0.545 C 1.477 12 residues pruned to eliminate duplicates Z: 12 7.191 1.738 0.200 0.518 0.909 0.818 CB 1.123 12 residues pruned to eliminate duplicates Z: 10 13.397 2.313 0.409 0.517 0.778 0.778 CB 1.733 10 residues pruned to eliminate duplicates Z: 22 27.170 2.160 0.749 0.592 0.905 0.714 C 1.587 22 residues pruned to eliminate duplicates Z: 23 39.403 2.095 0.828 0.781 1.000 0.818 CA 1.713 23 residues pruned to eliminate duplicates Z: 55 34.855 2.073 0.489 0.581 0.944 0.574 CB 1.504 63 residues pruned to eliminate duplicates Z: 25 39.798 2.270 0.580 0.879 0.917 0.792 CB 1.793 25 residues pruned to eliminate duplicates Z: 42 48.104 2.336 0.765 0.688 0.927 0.634 CB 1.656 42 residues pruned to eliminate duplicates Z: 12 19.325 1.983 1.091 0.571 0.909 0.727 CA 1.443 12 residues pruned to eliminate duplicates Z: 50 58.506 2.299 0.592 0.821 1.000 0.878 CB 1.729 50 residues pruned to eliminate duplicates Z: 29 27.379 2.148 0.322 0.762 0.893 0.750 CB 1.617 29 residues pruned to eliminate duplicates Z: 93 103.272 2.350 1.106 0.780 0.957 0.761 CB 1.777 93 residues pruned to eliminate duplicates Z: 25 27.393 2.003 0.457 0.800 0.875 0.750 CA 1.684 25 residues pruned to eliminate duplicates Z: 20 36.647 2.298 0.516 0.919 1.000 0.842 CB 1.701 20 residues pruned to eliminate duplicates Z: 40 58.161 2.179 0.787 0.912 1.000 0.718 CB 1.693 40 residues pruned to eliminate duplicates Z: 10 7.930 1.851 0.179 0.418 0.889 0.778 C 1.486 10 residues pruned to eliminate duplicates Z: 93 106.339 2.390 1.062 0.777 0.978 0.815 CB 1.801 93 residues pruned to eliminate duplicates Z: 12 24.494 1.906 0.869 0.915 1.000 0.909 CB 1.466 12 residues pruned to eliminate duplicates Z: 17 33.289 2.152 0.885 0.704 1.000 0.625 CA 1.704 17 residues pruned to eliminate duplicates Z: 8 13.630 2.032 0.833 0.457 1.000 0.714 CB 1.445 8 residues pruned to eliminate duplicates Z: 26 42.617 2.313 0.837 0.781 0.960 0.800 CB 1.631 26 residues pruned to eliminate duplicates Z: 92 66.776 2.209 0.909 0.586 0.967 0.659 CB 1.581 92 residues pruned to eliminate duplicates Z: 7 9.573 2.004 0.490 0.483 0.833 0.167 CB 1.598 7 residues pruned to eliminate duplicates Z: 9 12.784 1.933 0.650 0.764 0.750 0.375 CB 1.494 9 residues pruned to eliminate duplicates Z: 30 30.811 2.140 0.914 0.519 0.931 0.655 CB 1.472 30 residues pruned to eliminate duplicates Z: 35 38.983 2.149 0.920 0.605 0.971 0.676 CB 1.511 35 residues pruned to eliminate duplicates Z: 22 51.333 2.228 1.185 0.930 1.000 0.524 CB 1.609 22 residues pruned to eliminate duplicates Z: 14 19.730 1.660 0.775 0.913 1.000 0.846 CB 1.314 13 residues pruned to eliminate duplicates Z: 40 73.776 2.317 0.999 0.902 0.974 0.769 C 1.866 40 residues pruned to eliminate duplicates Z: 29 26.296 2.047 0.758 0.420 0.929 0.571 CB 1.617 29 residues pruned to eliminate duplicates Z: 24 14.878 1.882 0.455 0.389 0.957 0.739 CB 1.332 23 residues pruned to eliminate duplicates Z: 13 17.710 1.972 0.451 0.622 1.000 0.833 CB 1.592 13 residues pruned to eliminate duplicates Z: 19 32.659 2.208 0.639 0.746 1.000 0.889 CB 1.707 19 residues pruned to eliminate duplicates Z: 31 43.245 2.056 0.797 0.873 1.000 0.667 CB 1.557 31 residues pruned to eliminate duplicates Z: 27 22.937 2.184 0.322 0.536 0.885 0.577 CB 1.699 27 residues pruned to eliminate duplicates Z: 8 11.738 2.127 0.426 0.453 1.000 0.571 CB 1.535 8 residues pruned to eliminate duplicates Z: 59 50.965 2.306 0.642 0.632 0.897 0.638 CB 1.741 59 residues pruned to eliminate duplicates Z: 13 11.166 1.416 0.872 0.720 0.917 0.750 CB 1.088 Z: 9 15.072 2.010 0.932 0.521 1.000 0.625 CB 1.344 9 residues pruned to eliminate duplicates Z: 70 78.836 2.280 1.000 0.734 0.957 0.667 CB 1.763 70 residues pruned to eliminate duplicates Z: 33 43.416 2.129 0.891 0.672 0.969 0.656 CB 1.679 33 residues pruned to eliminate duplicates Z: 7 6.839 1.700 0.035 0.806 1.000 0.667 CA 1.214 7 residues pruned to eliminate duplicates Z: 23 36.157 2.140 1.045 0.582 0.955 0.591 C 1.706 21 residues pruned to eliminate duplicates Z: 15 25.783 1.962 0.604 0.923 1.000 0.929 CB 1.539 15 residues pruned to eliminate duplicates Z: 22 34.620 2.244 0.964 0.641 0.857 0.714 C 1.752 22 residues pruned to eliminate duplicates Z: 21 50.110 2.214 1.040 0.918 1.000 0.850 CB 1.749 21 residues pruned to eliminate duplicates 6 1.994 1.374 0.060 0.293 0.800 0.400 C 0.965 ? Z: 9 5.334 1.720 0.024 0.512 0.875 0.500 CB 1.209 9 residues pruned to eliminate duplicates Z: 14 16.864 2.177 0.570 0.643 0.923 0.538 CB 1.297 14 residues pruned to eliminate duplicates Z: 8 22.454 2.109 0.691 0.888 1.000 1.000 CA 1.714 Z: 9 12.316 1.828 0.075 0.881 1.000 0.625 C 1.604 9 residues pruned to eliminate duplicates Z: 19 28.866 2.055 0.827 0.620 0.944 0.778 C 1.713 19 residues pruned to eliminate duplicates Z: 7 2.232 1.361 0.350 0.250 0.667 0.667 CA 0.992 Z: 84 82.496 2.341 0.847 0.735 0.952 0.663 CB 1.781 84 residues pruned to eliminate duplicates Z: 25 38.622 2.245 0.703 0.836 0.833 0.667 C 1.852 25 residues pruned to eliminate duplicates Z: 66 59.969 2.271 0.837 0.684 0.908 0.723 CB 1.659 66 residues pruned to eliminate duplicates 6 1.829 1.317 0.206 0.550 0.600 0.400 CB 0.817 ? Z: 8 2.997 1.515 0.274 0.231 0.714 0.429 CB 1.124 8 residues pruned to eliminate duplicates Z: 21 42.366 2.258 0.829 0.898 0.900 0.700 C 1.824 21 residues pruned to eliminate duplicates Z: 25 24.109 1.889 0.774 0.545 0.958 0.667 CB 1.467 19 residues pruned to eliminate duplicates Z: 17 29.355 2.256 0.498 0.887 1.000 0.812 CB 1.566 17 residues pruned to eliminate duplicates Z: 77 95.748 2.345 1.042 0.781 0.987 0.763 CB 1.815 77 residues pruned to eliminate duplicates Z: 19 36.525 2.270 0.806 0.636 1.000 0.778 CB 1.849 19 residues pruned to eliminate duplicates Z: 27 42.188 2.304 0.720 0.722 0.923 0.846 CB 1.851 27 residues pruned to eliminate duplicates Z: 12 17.324 1.902 0.246 0.932 1.000 0.909 CA 1.539 12 residues pruned to eliminate duplicates Z: 20 48.458 2.190 1.291 0.888 0.947 0.737 CB 1.686 20 residues pruned to eliminate duplicates Z: 91 76.352 2.309 0.663 0.728 0.967 0.778 CB 1.767 91 residues pruned to eliminate duplicates Z: 39 67.293 2.275 1.075 0.784 0.974 0.789 CB 1.849 39 residues pruned to eliminate duplicates Z: 67 62.954 2.331 0.854 0.566 0.939 0.788 CB 1.790 67 residues pruned to eliminate duplicates Z: 18 11.304 2.020 -0.013 0.521 0.882 0.706 CB 1.526 18 residues pruned to eliminate duplicates Z: 7 16.943 2.251 0.479 0.772 0.833 0.500 C 1.959 7 residues pruned to eliminate duplicates Z: 14 17.624 2.090 0.657 0.600 0.769 0.462 CB 1.668 14 residues pruned to eliminate duplicates Z: 22 35.314 2.304 0.751 0.663 0.905 0.762 C 1.815 22 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 14.876 2.283 0.540 0.519 1.000 0.667 CB 1.696 7 residues pruned to eliminate duplicates Z: 19 13.852 2.063 0.339 0.382 0.833 0.667 CA 1.608 19 residues pruned to eliminate duplicates Z: 9 11.319 2.007 0.508 0.508 0.875 0.250 CA 1.499 9 residues pruned to eliminate duplicates Z: 8 12.007 2.214 0.233 0.506 1.000 0.571 CB 1.653 8 residues pruned to eliminate duplicates Z: 16 16.758 2.187 0.551 0.502 0.800 0.467 CB 1.592 16 residues pruned to eliminate duplicates Z: 58 40.580 2.119 0.655 0.564 0.877 0.684 CB 1.642 58 residues pruned to eliminate duplicates Z: 53 40.120 2.148 0.653 0.575 0.865 0.615 CB 1.684 53 residues pruned to eliminate duplicates Z: 59 33.815 2.062 0.565 0.534 0.845 0.569 CB 1.574 59 residues pruned to eliminate duplicates Z: 38 40.771 2.256 0.567 0.691 0.865 0.622 CB 1.840 37 residues pruned to eliminate duplicates Z: 15 18.767 1.963 0.656 0.604 0.857 0.500 CA 1.631 15 residues pruned to eliminate duplicates Z: 17 21.446 2.287 0.466 0.515 0.938 0.750 CB 1.681 17 residues pruned to eliminate duplicates Z: 19 17.821 2.098 0.655 0.411 0.778 0.611 CA 1.708 19 residues pruned to eliminate duplicates Z: 17 20.494 2.240 0.510 0.558 0.812 0.625 CA 1.762 17 residues pruned to eliminate duplicates Z: 33 39.400 2.229 0.583 0.703 0.906 0.688 CB 1.812 33 residues pruned to eliminate duplicates Z: 34 41.751 2.261 0.720 0.715 0.879 0.697 CB 1.751 34 residues pruned to eliminate duplicates Z: 51 40.992 2.147 0.672 0.566 0.900 0.700 CB 1.684 51 residues pruned to eliminate duplicates Z: 53 38.311 2.128 0.582 0.559 0.942 0.673 CB 1.582 53 residues pruned to eliminate duplicates Z: 51 42.210 2.184 0.603 0.583 0.920 0.680 CB 1.712 52 residues pruned to eliminate duplicates Z: 23 40.583 2.260 0.686 0.812 0.909 0.636 CA 1.903 23 residues pruned to eliminate duplicates Z: 33 40.246 2.301 0.622 0.708 0.844 0.719 CB 1.869 33 residues pruned to eliminate duplicates Z: 34 36.736 2.218 0.587 0.650 0.909 0.758 CA 1.739 34 residues pruned to eliminate duplicates Z: 52 36.240 2.125 0.562 0.571 0.902 0.706 CB 1.582 52 residues pruned to eliminate duplicates Z: 36 45.379 2.303 0.682 0.714 0.857 0.629 CB 1.904 36 residues pruned to eliminate duplicates Z: 39 39.233 2.188 0.740 0.602 0.947 0.632 CB 1.601 39 residues pruned to eliminate duplicates Z: 44 35.748 2.114 0.635 0.578 0.884 0.651 CB 1.655 44 residues pruned to eliminate duplicates Z: 57 47.085 2.188 0.696 0.583 0.911 0.625 CB 1.719 58 residues pruned to eliminate duplicates Z: 26 51.598 2.288 0.815 0.878 0.960 0.840 CA 1.878 26 residues pruned to eliminate duplicates Z: 84 83.774 2.375 0.833 0.651 0.964 0.651 CB 1.904 91 residues pruned to eliminate duplicates Z: 20 39.530 2.273 0.717 0.885 0.947 0.947 C 1.771 20 residues pruned to eliminate duplicates Z: 29 55.131 2.337 0.791 0.779 1.000 0.714 CA 1.946 29 residues pruned to eliminate duplicates Z: 33 42.599 2.254 0.754 0.687 0.906 0.688 CB 1.771 33 residues pruned to eliminate duplicates Z: 40 43.911 2.229 0.707 0.647 0.897 0.692 CA 1.796 40 residues pruned to eliminate duplicates Z: 51 40.771 2.139 0.699 0.571 0.880 0.660 CB 1.683 51 residues pruned to eliminate duplicates Z: 57 41.641 2.168 0.594 0.566 0.893 0.625 CB 1.692 57 residues pruned to eliminate duplicates Z: 57 38.455 2.126 0.614 0.545 0.893 0.607 CB 1.606 57 residues pruned to eliminate duplicates Z: 39 35.842 2.181 0.687 0.622 0.789 0.632 CB 1.784 39 residues pruned to eliminate duplicates Z: 57 41.134 2.154 0.638 0.556 0.911 0.607 CB 1.621 56 residues pruned to eliminate duplicates Z: 6 6.442 1.703 0.422 0.469 1.000 0.600 CB 1.228 6 residues pruned to eliminate duplicates Z: 54 41.152 2.098 0.713 0.568 0.925 0.623 CB 1.593 54 residues pruned to eliminate duplicates Z: 50 44.021 2.177 0.702 0.588 0.898 0.653 CB 1.737 50 residues pruned to eliminate duplicates Z: 56 37.440 2.051 0.701 0.521 0.909 0.582 CB 1.559 56 residues pruned to eliminate duplicates Z: 21 11.904 1.872 0.528 0.390 0.800 0.600 CB 1.307 21 residues pruned to eliminate duplicates Z: 8 9.361 1.873 0.492 0.756 1.000 0.571 CB 1.008 8 residues pruned to eliminate duplicates Z: 50 45.307 2.184 0.751 0.556 0.939 0.653 CB 1.707 51 residues pruned to eliminate duplicates Z: 8 8.027 1.501 0.308 0.811 1.000 0.857 CB 1.180 8 residues pruned to eliminate duplicates Z: 11 11.980 1.900 0.527 0.443 1.000 0.800 CB 1.386 11 residues pruned to eliminate duplicates Z: 40 43.744 2.168 0.843 0.605 0.923 0.692 CB 1.719 40 residues pruned to eliminate duplicates Z: 12 11.012 1.870 0.462 0.472 1.000 0.727 CB 1.250 12 residues pruned to eliminate duplicates Z: 12 9.252 1.830 0.493 0.390 0.909 0.636 CB 1.262 12 residues pruned to eliminate duplicates Z: 11 10.710 1.585 0.534 0.676 1.000 0.800 CB 1.185 11 residues pruned to eliminate duplicates Z: 50 42.944 2.111 0.647 0.581 0.959 0.633 CB 1.702 50 residues pruned to eliminate duplicates Z: 40 32.515 2.022 0.750 0.563 0.846 0.538 CB 1.635 40 residues pruned to eliminate duplicates Z: 29 44.822 2.322 0.680 0.709 0.929 0.679 C 1.934 29 residues pruned to eliminate duplicates Z: 42 64.367 2.413 0.807 0.699 0.976 0.780 CB 1.971 52 residues pruned to eliminate duplicates Z: 7 8.660 1.556 0.959 0.485 1.000 0.667 CB 1.178 7 residues pruned to eliminate duplicates Z: 44 55.343 2.318 0.784 0.649 0.953 0.698 CB 1.863 44 residues pruned to eliminate duplicates Z: 38 46.440 2.264 0.726 0.657 0.919 0.811 CB 1.837 38 residues pruned to eliminate duplicates Z: 43 58.179 2.359 0.739 0.699 0.952 0.762 CB 1.916 43 residues pruned to eliminate duplicates Z: 29 42.900 2.314 0.771 0.719 0.857 0.679 C 1.893 29 residues pruned to eliminate duplicates Z: 43 61.424 2.353 0.842 0.685 0.952 0.690 CB 1.938 43 residues pruned to eliminate duplicates Z: 43 63.569 2.353 0.854 0.698 0.976 0.762 C 1.922 42 residues pruned to eliminate duplicates Z: 11 38.048 2.533 0.953 0.800 0.900 0.600 C 2.079 11 residues pruned to eliminate duplicates Z: 44 53.321 2.321 0.721 0.647 0.953 0.651 CB 1.861 43 residues pruned to eliminate duplicates Z: 12 29.222 2.378 0.699 0.813 0.909 0.727 CB 1.827 12 residues pruned to eliminate duplicates Z: 34 34.682 2.164 0.725 0.579 0.879 0.667 CB 1.706 34 residues pruned to eliminate duplicates Z: 43 63.275 2.364 0.973 0.684 0.929 0.714 CB 1.902 43 residues pruned to eliminate duplicates Z: 43 60.100 2.348 0.827 0.687 0.952 0.667 C 1.911 43 residues pruned to eliminate duplicates Z: 30 49.028 2.294 0.860 0.694 0.966 0.690 CB 1.850 30 residues pruned to eliminate duplicates Z: 19 37.388 2.294 0.768 0.862 0.889 0.778 C 1.795 19 residues pruned to eliminate duplicates Z: 28 47.661 2.393 0.821 0.714 0.889 0.741 CB 1.951 28 residues pruned to eliminate duplicates Z: 43 62.807 2.393 0.941 0.683 0.929 0.690 CB 1.900 45 residues pruned to eliminate duplicates Z: 18 38.995 2.384 0.617 0.826 1.000 0.765 CB 1.850 18 residues pruned to eliminate duplicates Z: 44 64.653 2.332 0.925 0.679 0.977 0.814 C 1.907 44 residues pruned to eliminate duplicates Z: 44 56.099 2.335 0.882 0.667 0.907 0.721 CB 1.839 44 residues pruned to eliminate duplicates Z: 43 58.670 2.334 0.856 0.669 0.976 0.714 CB 1.832 43 residues pruned to eliminate duplicates Z: 43 59.589 2.337 0.797 0.686 0.952 0.786 C 1.938 43 residues pruned to eliminate duplicates Z: 44 57.873 2.328 0.897 0.665 0.930 0.674 CB 1.844 44 residues pruned to eliminate duplicates Z: 47 51.204 2.236 0.869 0.628 0.913 0.761 CB 1.754 47 residues pruned to eliminate duplicates Z: 44 58.843 2.316 0.928 0.678 0.907 0.674 CB 1.881 44 residues pruned to eliminate duplicates Z: 42 62.590 2.408 0.878 0.711 0.902 0.707 CB 1.978 42 residues pruned to eliminate duplicates Z: 42 49.800 2.272 0.771 0.662 0.927 0.707 CB 1.795 42 residues pruned to eliminate duplicates Z: 74 70.683 2.292 0.924 0.632 0.945 0.699 CB 1.754 74 residues pruned to eliminate duplicates Z: 26 21.770 1.982 0.740 0.498 0.840 0.640 CB 1.506 26 residues pruned to eliminate duplicates Z: 42 63.869 2.388 0.909 0.710 0.951 0.707 CB 1.900 42 residues pruned to eliminate duplicates Z: 46 59.102 2.289 0.916 0.644 0.956 0.756 CB 1.837 42 residues pruned to eliminate duplicates Z: 10 19.278 2.215 0.639 0.656 1.000 0.778 CB 1.531 10 residues pruned to eliminate duplicates Z: 45 61.509 2.322 0.919 0.657 0.955 0.818 C 1.885 46 residues pruned to eliminate duplicates Z: 9 26.843 2.318 0.656 0.869 1.000 0.875 CA 1.806 9 residues pruned to eliminate duplicates Z: 45 58.840 2.323 0.887 0.657 0.932 0.818 CB 1.878 45 residues pruned to eliminate duplicates Z: 47 55.374 2.251 0.919 0.623 0.935 0.717 CB 1.800 47 residues pruned to eliminate duplicates Z: 52 43.292 2.163 0.809 0.589 0.863 0.706 CB 1.649 52 residues pruned to eliminate duplicates Z: 85 50.747 2.122 0.824 0.488 0.917 0.583 CB 1.579 110 residues pruned to eliminate duplicates Z: 7 4.929 1.686 0.265 0.595 1.000 0.833 CB 0.861 7 residues pruned to eliminate duplicates Z: 13 8.850 1.929 0.283 0.537 0.917 0.500 CB 1.086 13 residues pruned to eliminate duplicates Z: 40 41.606 2.214 0.835 0.633 0.923 0.615 CB 1.568 40 residues pruned to eliminate duplicates Z: 33 39.096 2.225 0.917 0.601 0.938 0.750 CB 1.570 33 residues pruned to eliminate duplicates Z: 75 62.950 2.264 0.874 0.640 0.905 0.703 CB 1.671 75 residues pruned to eliminate duplicates Z: 33 43.761 2.198 1.086 0.620 0.938 0.594 CB 1.607 33 residues pruned to eliminate duplicates Z: 61 47.825 2.163 0.782 0.520 0.983 0.650 CB 1.597 61 residues pruned to eliminate duplicates Z: 61 50.039 2.164 0.889 0.524 0.983 0.700 CB 1.569 61 residues pruned to eliminate duplicates Z: 34 35.919 2.155 0.943 0.582 0.939 0.606 CB 1.469 34 residues pruned to eliminate duplicates Z: 36 37.990 2.151 0.945 0.590 0.943 0.629 CB 1.493 36 residues pruned to eliminate duplicates Z: 65 47.200 2.117 0.919 0.514 0.938 0.641 CB 1.528 65 residues pruned to eliminate duplicates Z: 73 61.139 2.260 0.879 0.609 0.931 0.667 CB 1.644 73 residues pruned to eliminate duplicates Z: 53 45.677 2.159 0.849 0.516 0.981 0.673 CB 1.593 53 residues pruned to eliminate duplicates Z: 63 43.718 2.097 0.786 0.527 0.952 0.645 CB 1.517 63 residues pruned to eliminate duplicates Z: 32 35.423 2.224 0.921 0.600 0.903 0.774 CB 1.499 32 residues pruned to eliminate duplicates Z: 71 59.686 2.242 0.870 0.583 0.929 0.643 CB 1.693 74 residues pruned to eliminate duplicates Z: 16 39.389 2.231 0.975 0.815 1.000 0.800 CB 1.756 16 residues pruned to eliminate duplicates Z: 36 41.729 2.182 0.951 0.593 1.000 0.657 CB 1.515 36 residues pruned to eliminate duplicates Z: 41 37.649 2.104 0.824 0.536 0.950 0.600 CB 1.575 41 residues pruned to eliminate duplicates Z: 25 45.900 2.288 1.173 0.636 1.000 0.667 CB 1.658 25 residues pruned to eliminate duplicates Z: 54 47.873 2.159 0.937 0.499 0.981 0.698 CB 1.604 54 residues pruned to eliminate duplicates Z: 57 42.908 2.142 0.861 0.486 0.911 0.571 CB 1.602 57 residues pruned to eliminate duplicates Z: 56 43.009 2.105 0.987 0.519 0.909 0.582 CB 1.496 56 residues pruned to eliminate duplicates Z: 72 60.930 2.261 0.864 0.603 0.944 0.732 CB 1.648 72 residues pruned to eliminate duplicates Z: 35 36.725 2.174 1.081 0.580 0.882 0.588 CB 1.460 35 residues pruned to eliminate duplicates Z: 63 43.426 2.109 0.779 0.543 0.935 0.661 CB 1.506 63 residues pruned to eliminate duplicates Z: 47 41.408 2.074 0.876 0.503 0.978 0.652 CB 1.599 47 residues pruned to eliminate duplicates Z: 139 79.669 2.158 0.818 0.600 0.971 0.725 CB 1.618 139 residues pruned to eliminate duplicates Z: 16 34.682 1.952 1.148 0.875 1.000 0.800 CA 1.553 16 residues pruned to eliminate duplicates Z: 51 44.348 2.150 0.950 0.557 0.960 0.600 CB 1.475 51 residues pruned to eliminate duplicates Z: 75 50.878 2.169 0.809 0.528 0.973 0.581 CB 1.508 75 residues pruned to eliminate duplicates Z: 46 41.852 2.072 0.937 0.536 0.956 0.600 CB 1.571 46 residues pruned to eliminate duplicates Z: 62 45.923 2.116 0.906 0.519 0.951 0.557 CB 1.505 62 residues pruned to eliminate duplicates Z: 63 46.446 2.147 0.905 0.511 0.935 0.597 CB 1.525 63 residues pruned to eliminate duplicates Z: 103 71.134 2.240 0.840 0.584 0.941 0.667 CB 1.675 103 residues pruned to eliminate duplicates Z: 60 46.152 2.156 0.921 0.511 0.932 0.661 CB 1.540 60 residues pruned to eliminate duplicates Z: 28 28.491 2.109 0.771 0.440 0.926 0.741 CB 1.687 28 residues pruned to eliminate duplicates Z: 58 47.001 2.111 0.934 0.497 0.965 0.649 CB 1.585 58 residues pruned to eliminate duplicates Z: 27 29.153 2.124 0.747 0.464 0.962 0.692 CB 1.662 27 residues pruned to eliminate duplicates Z: 63 49.187 2.147 0.924 0.518 0.968 0.661 CB 1.535 63 residues pruned to eliminate duplicates Z: 61 50.381 2.149 0.935 0.525 0.967 0.700 CB 1.578 61 residues pruned to eliminate duplicates Z: 30 24.894 2.036 0.676 0.412 0.931 0.621 CB 1.595 30 residues pruned to eliminate duplicates Z: 102 63.660 2.203 0.829 0.544 0.931 0.693 CB 1.617 102 residues pruned to eliminate duplicates Z: 26 24.588 2.157 0.547 0.425 0.920 0.720 CB 1.732 26 residues pruned to eliminate duplicates Z: 28 24.163 2.091 0.645 0.421 0.889 0.556 CB 1.652 28 residues pruned to eliminate duplicates Z: 66 42.320 2.100 0.806 0.510 0.938 0.615 CB 1.460 66 residues pruned to eliminate duplicates Z: 54 46.111 2.139 0.942 0.533 0.943 0.660 CB 1.564 54 residues pruned to eliminate duplicates Z: 29 27.637 2.070 0.776 0.439 0.929 0.607 CB 1.629 29 residues pruned to eliminate duplicates Z: 72 50.704 2.130 0.938 0.518 0.915 0.662 CB 1.564 72 residues pruned to eliminate duplicates Z: 29 23.755 2.063 0.620 0.434 0.857 0.607 CB 1.677 29 residues pruned to eliminate duplicates Z: 63 50.568 2.169 0.917 0.519 0.968 0.677 CB 1.565 63 residues pruned to eliminate duplicates Z: 28 28.559 2.096 0.737 0.427 0.963 0.704 CB 1.692 28 residues pruned to eliminate duplicates Z: 77 59.035 2.185 0.929 0.551 0.961 0.697 CB 1.592 77 residues pruned to eliminate duplicates Z: 69 50.693 2.181 0.812 0.535 0.956 0.706 CB 1.573 69 residues pruned to eliminate duplicates Z: 62 49.436 2.142 0.918 0.522 1.000 0.721 CB 1.508 62 residues pruned to eliminate duplicates Z: 54 45.239 2.158 0.924 0.487 0.943 0.679 CB 1.607 54 residues pruned to eliminate duplicates Z: 28 27.966 2.118 0.714 0.429 0.926 0.667 CB 1.722 28 residues pruned to eliminate duplicates Z: 21 43.062 2.218 0.974 0.790 0.950 0.750 C 1.795 21 residues pruned to eliminate duplicates Z: 19 49.002 2.313 0.903 0.906 1.000 0.722 CB 1.866 19 residues pruned to eliminate duplicates Z: 22 46.780 2.180 1.164 0.788 0.952 0.667 C 1.764 22 residues pruned to eliminate duplicates Z: 31 42.019 2.031 0.746 0.901 1.000 0.633 CB 1.544 31 residues pruned to eliminate duplicates Z: 32 45.565 2.041 0.907 0.788 1.000 0.710 CB 1.632 32 residues pruned to eliminate duplicates Z: 30 38.687 1.997 0.961 0.761 0.931 0.724 C 1.563 30 residues pruned to eliminate duplicates Z: 31 41.520 2.052 0.828 0.879 0.933 0.633 CB 1.569 31 residues pruned to eliminate duplicates Z: 32 39.520 2.039 0.867 0.803 0.903 0.613 CB 1.584 32 residues pruned to eliminate duplicates Z: 32 43.563 2.049 0.838 0.806 0.968 0.677 CB 1.643 32 residues pruned to eliminate duplicates Z: 32 45.289 2.035 0.877 0.796 1.000 0.774 CB 1.643 32 residues pruned to eliminate duplicates Z: 21 38.354 2.186 0.805 0.895 0.900 0.750 CA 1.731 21 residues pruned to eliminate duplicates Z: 22 45.841 2.185 1.212 0.754 0.952 0.714 CB 1.733 22 residues pruned to eliminate duplicates Z: 23 42.101 2.191 0.942 0.857 0.909 0.636 CB 1.709 23 residues pruned to eliminate duplicates Z: 32 44.418 2.014 0.897 0.801 1.000 0.806 CB 1.604 32 residues pruned to eliminate duplicates Z: 33 46.300 1.997 1.046 0.759 1.000 0.594 CB 1.591 33 residues pruned to eliminate duplicates Z: 32 45.107 2.037 0.958 0.783 0.968 0.806 CB 1.636 32 residues pruned to eliminate duplicates Z: 23 47.411 2.194 1.118 0.783 0.955 0.727 C 1.776 23 residues pruned to eliminate duplicates Z: 22 41.425 2.209 0.786 0.809 0.952 0.857 C 1.838 22 residues pruned to eliminate duplicates Z: 32 39.218 2.024 0.767 0.833 0.935 0.613 CB 1.579 32 residues pruned to eliminate duplicates Z: 12 12.518 1.661 0.560 0.904 0.909 0.545 CB 1.141 12 residues pruned to eliminate duplicates Z: 33 41.590 2.005 0.822 0.803 0.969 0.531 CB 1.594 33 residues pruned to eliminate duplicates Z: 32 48.701 2.048 0.961 0.842 1.000 0.710 CB 1.622 32 residues pruned to eliminate duplicates Z: 11 13.597 1.697 0.500 0.903 1.000 0.800 CB 1.205 11 residues pruned to eliminate duplicates Z: 32 42.225 2.035 0.747 0.831 1.000 0.742 CB 1.603 32 residues pruned to eliminate duplicates Z: 32 45.559 2.053 0.846 0.828 1.000 0.710 CB 1.626 32 residues pruned to eliminate duplicates Z: 33 41.063 1.995 0.841 0.794 0.969 0.719 CB 1.577 33 residues pruned to eliminate duplicates Z: 32 47.446 2.049 0.934 0.823 1.000 0.645 CB 1.625 32 residues pruned to eliminate duplicates Z: 32 43.189 2.053 0.762 0.830 1.000 0.742 CB 1.612 32 residues pruned to eliminate duplicates Z: 29 38.527 2.060 0.782 0.694 0.964 0.679 CA 1.723 29 residues pruned to eliminate duplicates Z: 12 12.467 1.853 0.587 0.416 1.000 0.455 CA 1.395 12 residues pruned to eliminate duplicates Z: 38 40.414 2.063 0.697 0.762 0.919 0.622 CB 1.637 38 residues pruned to eliminate duplicates Z: 37 45.153 2.082 0.667 0.777 1.000 0.722 CB 1.699 37 residues pruned to eliminate duplicates Z: 37 42.613 2.101 0.644 0.773 0.972 0.639 CB 1.662 37 residues pruned to eliminate duplicates Z: 39 40.875 2.012 0.687 0.767 0.974 0.737 CB 1.583 39 residues pruned to eliminate duplicates Z: 38 41.030 2.050 0.630 0.748 0.973 0.649 CB 1.661 38 residues pruned to eliminate duplicates Z: 37 46.369 2.091 0.790 0.764 0.972 0.611 CB 1.680 37 residues pruned to eliminate duplicates Z: 37 47.320 2.096 0.808 0.797 0.972 0.639 CB 1.650 37 residues pruned to eliminate duplicates Z: 9 23.174 2.085 0.978 0.807 1.000 0.500 CB 1.520 9 residues pruned to eliminate duplicates Z: 33 34.739 2.019 0.837 0.695 0.938 0.656 CB 1.478 33 residues pruned to eliminate duplicates Z: 26 40.335 2.136 0.905 0.756 0.960 0.640 CB 1.644 26 residues pruned to eliminate duplicates Z: 37 46.303 2.088 0.792 0.797 0.972 0.667 CB 1.636 37 residues pruned to eliminate duplicates Z: 34 39.897 2.028 0.810 0.724 1.000 0.697 CB 1.546 34 residues pruned to eliminate duplicates Z: 36 40.073 2.022 0.763 0.722 1.000 0.686 CB 1.555 36 residues pruned to eliminate duplicates Z: 32 43.233 2.065 0.822 0.864 0.968 0.645 CB 1.564 32 residues pruned to eliminate duplicates Z: 38 47.218 2.046 0.831 0.752 1.000 0.676 CB 1.656 38 residues pruned to eliminate duplicates Z: 37 46.844 2.102 0.777 0.788 0.972 0.556 CB 1.670 37 residues pruned to eliminate duplicates Z: 29 41.334 2.108 0.866 0.711 0.929 0.607 C 1.766 29 residues pruned to eliminate duplicates Z: 39 43.419 2.019 0.805 0.736 0.974 0.605 CB 1.607 39 residues pruned to eliminate duplicates Z: 38 45.219 2.071 0.763 0.764 1.000 0.622 CB 1.611 38 residues pruned to eliminate duplicates Z: 38 45.845 2.078 0.727 0.767 1.000 0.622 CB 1.657 38 residues pruned to eliminate duplicates Z: 32 39.703 2.055 0.670 0.886 0.968 0.710 CB 1.549 32 residues pruned to eliminate duplicates Z: 38 46.263 2.083 0.711 0.779 1.000 0.703 CB 1.669 38 residues pruned to eliminate duplicates Z: 37 43.022 2.092 0.610 0.782 1.000 0.722 CB 1.660 37 residues pruned to eliminate duplicates Z: 37 46.276 2.092 0.769 0.793 0.972 0.694 CB 1.657 37 residues pruned to eliminate duplicates Z: 37 46.883 2.093 0.743 0.785 1.000 0.694 CB 1.667 37 residues pruned to eliminate duplicates Z: 37 44.240 2.088 0.711 0.788 0.972 0.639 CB 1.647 37 residues pruned to eliminate duplicates Z: 37 45.813 2.100 0.789 0.788 0.944 0.611 CB 1.670 37 residues pruned to eliminate duplicates Z: 38 43.508 2.064 0.721 0.770 0.973 0.730 CB 1.629 38 residues pruned to eliminate duplicates Z: 38 42.309 2.057 0.731 0.761 0.973 0.703 CB 1.592 38 residues pruned to eliminate duplicates Z: 37 47.772 2.094 0.804 0.787 0.972 0.694 CB 1.684 37 residues pruned to eliminate duplicates Z: 37 44.117 2.098 0.704 0.781 0.972 0.750 CB 1.652 37 residues pruned to eliminate duplicates Z: 37 45.105 2.098 0.707 0.791 0.972 0.750 CB 1.673 37 residues pruned to eliminate duplicates Z: 14 16.737 1.717 0.429 0.891 1.000 0.615 CA 1.360 14 residues pruned to eliminate duplicates Z: 33 40.811 2.288 0.620 0.654 0.938 0.656 CB 1.799 33 residues pruned to eliminate duplicates Z: 29 39.264 2.307 0.533 0.696 0.929 0.714 C 1.890 29 residues pruned to eliminate duplicates Z: 33 38.936 2.279 0.569 0.626 0.969 0.750 CB 1.765 33 residues pruned to eliminate duplicates Z: 31 42.399 2.288 0.642 0.677 0.933 0.767 C 1.876 31 residues pruned to eliminate duplicates Z: 33 36.773 2.339 0.496 0.621 0.906 0.688 CB 1.828 33 residues pruned to eliminate duplicates Z: 42 48.891 2.332 0.554 0.645 0.976 0.732 CB 1.886 42 residues pruned to eliminate duplicates Z: 34 35.683 2.230 0.459 0.622 0.970 0.727 CB 1.755 34 residues pruned to eliminate duplicates Z: 72 56.196 2.175 0.697 0.612 0.986 0.718 CB 1.648 72 residues pruned to eliminate duplicates Z: 43 49.199 2.311 0.600 0.669 0.976 0.810 CB 1.799 43 residues pruned to eliminate duplicates Z: 33 38.004 2.326 0.487 0.624 0.938 0.688 CB 1.843 33 residues pruned to eliminate duplicates Z: 31 42.174 2.308 0.646 0.647 0.967 0.667 C 1.827 31 residues pruned to eliminate duplicates Z: 33 41.526 2.307 0.588 0.640 0.969 0.688 CB 1.815 33 residues pruned to eliminate duplicates Z: 43 53.097 2.307 0.771 0.649 0.952 0.738 CB 1.833 43 residues pruned to eliminate duplicates Z: 49 52.485 2.210 0.839 0.646 0.958 0.604 CB 1.697 49 residues pruned to eliminate duplicates Z: 28 34.101 2.215 0.720 0.649 0.889 0.667 C 1.687 28 residues pruned to eliminate duplicates Z: 43 51.364 2.277 0.671 0.680 0.952 0.738 C 1.854 43 residues pruned to eliminate duplicates Z: 30 42.104 2.351 0.615 0.679 0.966 0.655 C 1.809 30 residues pruned to eliminate duplicates Z: 33 38.984 2.275 0.572 0.666 0.938 0.781 C 1.762 33 residues pruned to eliminate duplicates Z: 34 38.878 2.219 0.650 0.630 0.939 0.727 C 1.741 34 residues pruned to eliminate duplicates Z: 45 47.870 2.223 0.712 0.642 0.932 0.659 CB 1.781 45 residues pruned to eliminate duplicates Z: 38 37.953 2.172 0.576 0.627 0.946 0.649 CB 1.710 38 residues pruned to eliminate duplicates Z: 33 41.757 2.260 0.672 0.660 0.938 0.625 C 1.797 33 residues pruned to eliminate duplicates Z: 32 37.606 2.207 0.590 0.647 0.935 0.645 CB 1.794 32 residues pruned to eliminate duplicates Z: 11 23.381 2.416 0.508 0.597 1.000 0.600 CB 1.850 11 residues pruned to eliminate duplicates Z: 35 40.219 2.266 0.492 0.674 0.941 0.706 CB 1.847 35 residues pruned to eliminate duplicates Z: 42 55.518 2.329 0.725 0.688 0.976 0.756 CB 1.862 42 residues pruned to eliminate duplicates Z: 71 54.380 2.173 0.706 0.621 0.957 0.700 CB 1.634 71 residues pruned to eliminate duplicates Z: 44 51.616 2.250 0.727 0.671 0.953 0.721 CB 1.814 44 residues pruned to eliminate duplicates Z: 43 54.347 2.237 0.762 0.737 0.952 0.833 C 1.807 43 residues pruned to eliminate duplicates Z: 44 22.962 1.830 0.684 0.450 0.930 0.558 CB 1.287 44 residues pruned to eliminate duplicates Z: 39 40.342 2.066 0.711 0.642 0.947 0.763 C 1.711 39 residues pruned to eliminate duplicates Z: 46 40.587 2.128 0.755 0.561 0.911 0.667 CB 1.677 46 residues pruned to eliminate duplicates Z: 15 26.753 2.144 0.797 0.601 0.929 0.714 C 1.816 15 residues pruned to eliminate duplicates Z: 48 43.973 2.172 0.602 0.610 0.936 0.660 CB 1.774 48 residues pruned to eliminate duplicates Z: 19 20.993 2.045 0.599 0.489 0.889 0.778 CB 1.721 22 residues pruned to eliminate duplicates Z: 9 18.227 2.165 0.431 0.862 1.000 0.875 CA 1.528 Z: 8 14.422 2.041 0.457 0.851 0.857 0.857 CB 1.583 8 residues pruned to eliminate duplicates Z: 8 16.068 2.098 0.433 0.841 0.857 0.857 C 1.758 8 residues pruned to eliminate duplicates Z: 15 17.556 2.116 0.444 0.576 0.929 0.714 CB 1.537 24 residues pruned to eliminate duplicates Z: 70 54.040 2.201 0.762 0.609 0.942 0.667 CB 1.605 70 residues pruned to eliminate duplicates Z: 44 35.422 2.042 0.725 0.573 0.977 0.674 CB 1.463 44 residues pruned to eliminate duplicates Z: 20 14.250 1.794 0.367 0.550 1.000 0.684 CB 1.270 20 residues pruned to eliminate duplicates Z: 32 24.203 1.959 0.744 0.529 0.935 0.613 CB 1.321 32 residues pruned to eliminate duplicates Z: 43 27.599 1.903 0.711 0.513 0.976 0.619 CB 1.324 43 residues pruned to eliminate duplicates Z: 34 22.427 1.925 0.594 0.508 0.970 0.606 CB 1.301 34 residues pruned to eliminate duplicates Z: 71 51.032 2.172 0.685 0.624 0.971 0.686 CB 1.526 71 residues pruned to eliminate duplicates Z: 31 27.302 1.990 0.789 0.554 1.000 0.567 CB 1.329 31 residues pruned to eliminate duplicates Z: 39 27.410 1.995 0.617 0.571 0.974 0.711 CB 1.322 39 residues pruned to eliminate duplicates Z: 31 23.393 1.968 0.695 0.542 0.967 0.633 CB 1.272 31 residues pruned to eliminate duplicates Z: 32 26.033 1.960 0.829 0.545 0.935 0.613 CB 1.334 32 residues pruned to eliminate duplicates Z: 34 22.934 1.902 0.751 0.535 0.939 0.515 CB 1.233 34 residues pruned to eliminate duplicates Z: 25 24.165 2.013 0.858 0.524 0.958 0.500 CB 1.344 25 residues pruned to eliminate duplicates Z: 32 24.517 1.967 0.755 0.530 0.935 0.710 CB 1.324 32 residues pruned to eliminate duplicates Z: 26 24.900 1.975 0.916 0.507 0.920 0.600 CB 1.421 26 residues pruned to eliminate duplicates Z: 37 30.205 2.022 0.656 0.598 0.972 0.694 CB 1.409 37 residues pruned to eliminate duplicates Z: 31 23.079 1.974 0.624 0.529 0.933 0.633 CB 1.369 31 residues pruned to eliminate duplicates Z: 39 28.345 2.032 0.685 0.534 1.000 0.579 CB 1.298 39 residues pruned to eliminate duplicates Z: 37 28.686 2.018 0.659 0.564 0.972 0.611 CB 1.381 37 residues pruned to eliminate duplicates Z: 23 28.498 2.103 0.895 0.521 1.000 0.636 CB 1.493 23 residues pruned to eliminate duplicates Z: 31 26.979 1.976 0.813 0.534 0.967 0.567 CB 1.375 31 residues pruned to eliminate duplicates Z: 41 28.836 1.989 0.721 0.565 0.950 0.575 CB 1.317 41 residues pruned to eliminate duplicates Z: 34 26.788 1.882 0.802 0.608 1.000 0.667 CB 1.241 34 residues pruned to eliminate duplicates Z: 26 25.923 1.980 0.976 0.522 0.960 0.600 CB 1.350 26 residues pruned to eliminate duplicates Z: 27 24.785 1.974 0.823 0.528 1.000 0.692 CB 1.314 27 residues pruned to eliminate duplicates Z: 33 23.952 1.927 0.764 0.527 0.938 0.719 CB 1.294 33 residues pruned to eliminate duplicates Z: 12 16.399 2.039 0.732 0.570 0.818 0.455 CB 1.599 12 residues pruned to eliminate duplicates Z: 66 47.593 2.130 0.763 0.602 0.938 0.677 CB 1.520 66 residues pruned to eliminate duplicates Z: 70 53.239 2.176 0.690 0.597 0.971 0.783 CB 1.637 70 residues pruned to eliminate duplicates Z: 27 20.040 2.006 0.593 0.464 0.923 0.731 CB 1.383 27 residues pruned to eliminate duplicates Z: 19 12.936 1.822 0.695 0.440 0.778 0.611 CB 1.350 18 residues pruned to eliminate duplicates Z: 6 6.053 1.565 0.742 0.360 1.000 0.200 CA 1.155 6 residues pruned to eliminate duplicates Z: 17 18.374 2.022 0.737 0.513 0.875 0.688 CB 1.475 17 residues pruned to eliminate duplicates Z: 27 19.813 1.975 0.556 0.449 0.962 0.654 CB 1.385 28 residues pruned to eliminate duplicates Z: 10 10.631 1.832 0.348 0.660 0.889 0.556 CA 1.392 10 residues pruned to eliminate duplicates Z: 27 17.375 1.978 0.478 0.462 0.885 0.731 CB 1.369 27 residues pruned to eliminate duplicates Z: 26 19.536 2.013 0.620 0.489 0.880 0.720 CB 1.377 26 residues pruned to eliminate duplicates Z: 17 10.264 1.914 0.392 0.385 0.875 0.688 CB 1.244 17 residues pruned to eliminate duplicates Z: 26 19.269 1.993 0.556 0.488 0.920 0.760 CB 1.368 26 residues pruned to eliminate duplicates Z: 7 7.447 1.646 0.324 0.803 1.000 0.500 CA 1.071 7 residues pruned to eliminate duplicates Z: 27 19.009 1.965 0.549 0.472 0.923 0.731 CB 1.365 27 residues pruned to eliminate duplicates Z: 26 19.031 1.978 0.486 0.470 0.960 0.680 CB 1.390 26 residues pruned to eliminate duplicates Z: 6 4.351 1.446 0.348 0.386 1.000 1.000 CA 1.128 6 residues pruned to eliminate duplicates Z: 13 15.385 2.003 0.409 0.554 1.000 0.750 CB 1.493 14 residues pruned to eliminate duplicates Z: 6 6.507 1.681 0.612 0.453 1.000 0.600 CA 1.127 6 residues pruned to eliminate duplicates Z: 18 10.189 1.855 0.360 0.395 0.882 0.706 CB 1.240 18 residues pruned to eliminate duplicates Z: 26 19.394 1.973 0.461 0.481 0.960 0.760 CB 1.429 26 residues pruned to eliminate duplicates Z: 31 15.958 1.937 0.537 0.410 0.867 0.800 CB 1.241 31 residues pruned to eliminate duplicates Z: 7 4.561 1.970 0.586 0.227 0.833 0.667 CB 0.983 Z: 6 3.786 1.623 0.282 0.319 0.800 0.600 CB 1.242 3 residues pruned to eliminate duplicates Z: 25 39.200 2.213 0.700 0.829 0.958 0.917 CB 1.670 35 residues pruned to eliminate duplicates Z: 70 66.643 2.280 0.628 0.770 0.986 0.826 CB 1.726 70 residues pruned to eliminate duplicates Z: 96 77.287 2.300 0.712 0.740 0.947 0.800 CB 1.714 96 residues pruned to eliminate duplicates Z: 96 78.286 2.324 0.616 0.779 0.958 0.747 CB 1.746 96 residues pruned to eliminate duplicates Z: 78 69.109 2.322 0.656 0.753 0.948 0.792 CB 1.723 78 residues pruned to eliminate duplicates Z: 93 77.270 2.304 0.651 0.784 0.946 0.826 CB 1.744 93 residues pruned to eliminate duplicates Z: 95 79.842 2.344 0.708 0.765 0.926 0.809 CB 1.756 95 residues pruned to eliminate duplicates Z: 93 78.171 2.333 0.634 0.778 0.946 0.793 CB 1.769 93 residues pruned to eliminate duplicates Z: 93 85.826 2.340 0.778 0.775 0.967 0.826 CB 1.743 93 residues pruned to eliminate duplicates Z: 93 81.583 2.322 0.741 0.774 0.957 0.859 CB 1.727 93 residues pruned to eliminate duplicates Z: 93 77.629 2.333 0.649 0.769 0.957 0.815 CB 1.733 93 residues pruned to eliminate duplicates Z: 109 77.104 2.333 0.654 0.728 0.917 0.750 CB 1.708 109 residues pruned to eliminate duplicates Z: 51 56.622 2.238 0.732 0.797 0.960 0.800 CB 1.659 51 residues pruned to eliminate duplicates Z: 68 67.926 2.287 0.681 0.800 0.940 0.776 CB 1.765 68 residues pruned to eliminate duplicates Z: 92 83.035 2.327 0.747 0.778 0.956 0.780 CB 1.752 92 residues pruned to eliminate duplicates Z: 99 82.115 2.322 0.771 0.748 0.959 0.745 CB 1.685 99 residues pruned to eliminate duplicates Z: 93 83.978 2.331 0.701 0.786 0.978 0.793 CB 1.755 93 residues pruned to eliminate duplicates Z: 93 83.237 2.334 0.704 0.789 0.978 0.848 CB 1.731 93 residues pruned to eliminate duplicates Z: 109 83.597 2.327 0.682 0.746 0.944 0.741 CB 1.746 109 residues pruned to eliminate duplicates Z: 102 76.668 2.301 0.663 0.747 0.931 0.772 CB 1.717 102 residues pruned to eliminate duplicates Z: 77 68.281 2.253 0.703 0.758 0.961 0.763 CB 1.689 77 residues pruned to eliminate duplicates Z: 102 82.381 2.311 0.729 0.758 0.950 0.792 CB 1.716 102 residues pruned to eliminate duplicates Z: 78 69.676 2.286 0.696 0.763 0.922 0.766 CB 1.758 78 residues pruned to eliminate duplicates Z: 72 73.847 2.299 0.740 0.794 0.944 0.775 CB 1.795 72 residues pruned to eliminate duplicates Z: 90 87.194 2.336 0.777 0.799 0.978 0.854 CB 1.753 90 residues pruned to eliminate duplicates Z: 90 76.581 2.299 0.748 0.763 0.921 0.787 CB 1.736 90 residues pruned to eliminate duplicates Z: 94 86.889 2.304 0.822 0.774 0.978 0.839 CB 1.722 94 residues pruned to eliminate duplicates Z: 141 86.538 2.275 0.701 0.698 0.936 0.714 CB 1.686 107 residues pruned to eliminate duplicates Z: 15 33.142 2.318 0.466 0.933 1.000 0.857 CB 1.819 15 residues pruned to eliminate duplicates Z: 50 62.865 2.310 0.762 0.827 0.939 0.816 CB 1.770 50 residues pruned to eliminate duplicates Z: 99 85.577 2.347 0.752 0.756 0.959 0.765 CB 1.745 99 residues pruned to eliminate duplicates Z: 99 91.474 2.347 0.847 0.773 0.959 0.745 CB 1.746 99 residues pruned to eliminate duplicates Z: 105 77.194 2.280 0.789 0.728 0.913 0.712 CB 1.655 105 residues pruned to eliminate duplicates Z: 98 70.408 2.336 0.624 0.670 0.928 0.701 CB 1.736 98 residues pruned to eliminate duplicates Z: 109 89.883 2.317 0.822 0.745 0.935 0.676 CB 1.760 109 residues pruned to eliminate duplicates Z: 104 91.526 2.353 0.841 0.760 0.942 0.718 CB 1.755 104 residues pruned to eliminate duplicates Z: 101 64.862 2.311 0.597 0.649 0.890 0.650 CB 1.719 101 residues pruned to eliminate duplicates Z: 79 66.886 2.275 0.744 0.714 0.910 0.744 CB 1.728 79 residues pruned to eliminate duplicates Z: 108 93.080 2.346 0.811 0.753 0.953 0.757 CB 1.774 108 residues pruned to eliminate duplicates Z: 69 73.198 2.257 0.872 0.782 0.926 0.662 CB 1.768 69 residues pruned to eliminate duplicates Z: 110 86.943 2.318 0.799 0.736 0.927 0.752 CB 1.744 110 residues pruned to eliminate duplicates Z: 106 89.058 2.339 0.832 0.766 0.933 0.724 CB 1.716 106 residues pruned to eliminate duplicates Z: 100 82.947 2.322 0.814 0.737 0.929 0.707 CB 1.723 100 residues pruned to eliminate duplicates Z: 71 70.611 2.298 0.766 0.754 0.957 0.729 CB 1.732 71 residues pruned to eliminate duplicates Z: 68 73.257 2.354 0.764 0.761 0.955 0.731 CB 1.788 68 residues pruned to eliminate duplicates Z: 94 93.485 2.325 0.947 0.765 0.968 0.720 CB 1.750 94 residues pruned to eliminate duplicates Z: 87 77.661 2.324 0.758 0.717 0.965 0.698 CB 1.745 87 residues pruned to eliminate duplicates Z: 78 84.713 2.314 1.010 0.753 0.961 0.714 CB 1.724 78 residues pruned to eliminate duplicates Z: 71 74.168 2.288 0.865 0.743 0.957 0.757 CB 1.746 71 residues pruned to eliminate duplicates Z: 86 76.598 2.344 0.752 0.726 0.929 0.741 CB 1.776 86 residues pruned to eliminate duplicates Z: 72 80.194 2.330 0.954 0.741 0.930 0.718 CB 1.812 72 residues pruned to eliminate duplicates Z: 100 92.856 2.331 0.931 0.765 0.960 0.798 CB 1.708 100 residues pruned to eliminate duplicates Z: 75 86.114 2.304 1.064 0.785 0.932 0.730 CB 1.758 75 residues pruned to eliminate duplicates Z: 64 79.338 2.242 1.114 0.781 0.968 0.762 CB 1.701 64 residues pruned to eliminate duplicates Z: 92 90.551 2.298 0.999 0.777 0.923 0.648 CB 1.753 92 residues pruned to eliminate duplicates Z: 86 76.202 2.315 0.823 0.718 0.941 0.718 CB 1.710 86 residues pruned to eliminate duplicates Z: 73 79.121 2.261 0.971 0.771 0.944 0.708 CB 1.743 73 residues pruned to eliminate duplicates Z: 94 91.882 2.297 0.962 0.772 0.957 0.688 CB 1.736 94 residues pruned to eliminate duplicates Z: 107 94.217 2.354 0.868 0.758 0.943 0.679 CB 1.753 107 residues pruned to eliminate duplicates Z: 78 77.044 2.297 0.985 0.749 0.922 0.675 CB 1.673 78 residues pruned to eliminate duplicates Z: 77 73.869 2.314 0.821 0.732 0.947 0.737 CB 1.723 77 residues pruned to eliminate duplicates Z: 68 77.413 2.342 0.846 0.766 0.970 0.806 CB 1.781 68 residues pruned to eliminate duplicates Z: 92 98.901 2.343 0.982 0.782 0.978 0.802 CB 1.780 92 residues pruned to eliminate duplicates Z: 45 58.159 2.271 0.810 0.754 0.955 0.705 CB 1.781 45 residues pruned to eliminate duplicates Z: 94 83.586 2.300 0.856 0.764 0.946 0.753 CB 1.698 94 residues pruned to eliminate duplicates Z: 93 95.658 2.328 0.981 0.775 0.957 0.750 CB 1.773 93 residues pruned to eliminate duplicates Z: 97 91.946 2.313 0.980 0.764 0.958 0.740 CB 1.691 97 residues pruned to eliminate duplicates Z: 69 77.441 2.336 0.844 0.762 0.985 0.618 CB 1.753 69 residues pruned to eliminate duplicates Z: 96 81.445 2.285 0.899 0.745 0.916 0.758 CB 1.689 96 residues pruned to eliminate duplicates Z: 91 98.820 2.347 0.966 0.793 0.978 0.722 CB 1.786 91 residues pruned to eliminate duplicates Z: 26 50.297 2.434 1.029 0.732 0.960 0.800 CB 1.723 26 residues pruned to eliminate duplicates Z: 125 89.602 2.279 0.776 0.718 0.952 0.766 CB 1.714 125 residues pruned to eliminate duplicates Z: 21 27.180 2.267 0.510 0.844 0.850 0.800 CB 1.553 21 residues pruned to eliminate duplicates Z: 69 78.425 2.327 0.866 0.768 0.985 0.676 CB 1.753 69 residues pruned to eliminate duplicates Z: 26 42.399 2.390 0.803 0.721 0.960 0.800 CB 1.679 26 residues pruned to eliminate duplicates Z: 92 97.053 2.341 0.981 0.786 0.956 0.791 CB 1.785 92 residues pruned to eliminate duplicates Z: 42 50.905 2.416 0.828 0.650 0.927 0.634 CB 1.689 42 residues pruned to eliminate duplicates Z: 94 91.270 2.311 0.952 0.755 0.957 0.656 CB 1.746 94 residues pruned to eliminate duplicates Z: 71 78.443 2.323 0.824 0.772 0.986 0.814 CB 1.765 71 residues pruned to eliminate duplicates Z: 93 90.685 2.319 0.936 0.769 0.957 0.707 CB 1.735 93 residues pruned to eliminate duplicates Z: 92 96.234 2.329 0.998 0.778 0.956 0.714 CB 1.774 92 residues pruned to eliminate duplicates Z: 95 92.365 2.333 0.968 0.766 0.936 0.691 CB 1.751 95 residues pruned to eliminate duplicates Z: 95 89.583 2.306 0.981 0.750 0.947 0.691 CB 1.709 95 residues pruned to eliminate duplicates Z: 70 76.416 2.314 0.881 0.750 0.971 0.710 CB 1.742 70 residues pruned to eliminate duplicates Z: 42 52.438 2.418 0.888 0.658 0.878 0.610 CB 1.765 42 residues pruned to eliminate duplicates Z: 45 40.323 2.279 0.812 0.592 0.818 0.636 CB 1.647 45 residues pruned to eliminate duplicates Z: 27 42.879 2.399 1.010 0.690 0.923 0.692 CB 1.587 27 residues pruned to eliminate duplicates Z: 93 89.773 2.323 0.944 0.772 0.935 0.717 CB 1.744 93 residues pruned to eliminate duplicates Z: 108 97.163 2.333 0.929 0.754 0.944 0.710 CB 1.764 108 residues pruned to eliminate duplicates Z: 114 95.256 2.314 0.952 0.717 0.947 0.664 CB 1.721 114 residues pruned to eliminate duplicates Z: 75 79.953 2.364 0.827 0.752 0.986 0.730 CB 1.743 75 residues pruned to eliminate duplicates Z: 77 78.396 2.326 0.832 0.749 0.974 0.724 CB 1.736 77 residues pruned to eliminate duplicates Z: 109 98.152 2.331 0.957 0.751 0.954 0.704 CB 1.735 109 residues pruned to eliminate duplicates Z: 100 85.816 2.264 0.943 0.742 0.929 0.657 CB 1.699 100 residues pruned to eliminate duplicates Z: 17 22.804 2.162 0.602 0.599 0.938 0.438 CB 1.597 17 residues pruned to eliminate duplicates Z: 17 21.865 2.209 0.656 0.516 0.875 0.375 CB 1.681 17 residues pruned to eliminate duplicates Z: 18 14.260 2.112 0.346 0.415 0.824 0.471 CB 1.613 18 residues pruned to eliminate duplicates Z: 12 15.883 2.153 0.575 0.525 0.818 0.455 C 1.683 12 residues pruned to eliminate duplicates Z: 13 17.458 2.187 0.754 0.435 0.833 0.333 C 1.687 13 residues pruned to eliminate duplicates Z: 12 14.970 2.174 0.402 0.478 0.909 0.545 C 1.666 12 residues pruned to eliminate duplicates Z: 13 14.750 2.010 0.511 0.572 0.917 0.667 CA 1.426 13 residues pruned to eliminate duplicates Z: 10 19.426 2.437 0.478 0.562 0.889 0.444 C 1.904 10 residues pruned to eliminate duplicates Z: 22 26.034 2.382 0.707 0.453 0.810 0.333 CB 1.811 22 residues pruned to eliminate duplicates Z: 12 15.412 2.216 0.576 0.440 0.818 0.455 C 1.730 12 residues pruned to eliminate duplicates Z: 27 26.219 2.334 0.495 0.439 0.885 0.654 CB 1.774 27 residues pruned to eliminate duplicates Z: 50 50.216 2.318 0.857 0.547 0.918 0.592 CB 1.734 50 residues pruned to eliminate duplicates Z: 50 59.196 2.319 0.887 0.593 0.959 0.633 CB 1.843 50 residues pruned to eliminate duplicates Z: 99 74.996 2.299 0.713 0.668 0.939 0.694 CB 1.755 99 residues pruned to eliminate duplicates Z: 46 48.343 2.335 0.740 0.566 0.911 0.689 CB 1.827 46 residues pruned to eliminate duplicates Z: 46 61.350 2.371 0.907 0.622 0.956 0.667 CB 1.887 46 residues pruned to eliminate duplicates Z: 59 60.732 2.360 0.813 0.605 0.914 0.690 CB 1.846 59 residues pruned to eliminate duplicates Z: 19 28.309 2.278 0.448 0.612 1.000 0.611 CB 1.819 19 residues pruned to eliminate duplicates Z: 48 53.102 2.308 0.794 0.580 0.936 0.617 CB 1.850 48 residues pruned to eliminate duplicates Z: 48 64.891 2.307 1.000 0.645 0.979 0.702 CB 1.830 48 residues pruned to eliminate duplicates Z: 48 63.915 2.325 0.915 0.641 1.000 0.596 CB 1.835 48 residues pruned to eliminate duplicates Z: 55 55.626 2.307 0.763 0.617 0.926 0.574 CB 1.799 55 residues pruned to eliminate duplicates Z: 48 61.724 2.322 0.970 0.637 0.979 0.681 CB 1.769 48 residues pruned to eliminate duplicates Z: 26 29.701 2.148 0.903 0.492 0.920 0.720 CA 1.592 26 residues pruned to eliminate duplicates Z: 51 55.984 2.233 0.953 0.604 0.920 0.700 CB 1.787 51 residues pruned to eliminate duplicates Z: 47 59.974 2.353 1.033 0.638 0.913 0.652 CB 1.779 47 residues pruned to eliminate duplicates Z: 37 53.551 2.274 1.052 0.620 0.944 0.611 CB 1.809 37 residues pruned to eliminate duplicates Z: 153 111.244 2.330 0.939 0.697 0.934 0.684 CB 1.785 153 residues pruned to eliminate duplicates Z: 47 56.572 2.344 0.903 0.629 0.913 0.696 CB 1.813 47 residues pruned to eliminate duplicates Z: 41 59.599 2.330 0.957 0.616 1.000 0.525 CB 1.853 41 residues pruned to eliminate duplicates Z: 46 59.123 2.370 0.934 0.605 0.933 0.622 CB 1.864 46 residues pruned to eliminate duplicates Z: 45 68.545 2.412 1.104 0.647 0.932 0.659 CB 1.905 45 residues pruned to eliminate duplicates Z: 46 62.414 2.385 0.922 0.620 0.978 0.778 CB 1.854 46 residues pruned to eliminate duplicates Z: 47 60.255 2.356 0.878 0.608 0.978 0.652 CB 1.851 47 residues pruned to eliminate duplicates Z: 37 54.180 2.288 1.025 0.628 0.972 0.667 CB 1.777 37 residues pruned to eliminate duplicates Z: 45 67.134 2.406 0.963 0.654 1.000 0.636 CB 1.857 45 residues pruned to eliminate duplicates Z: 38 52.891 2.305 0.987 0.599 0.946 0.649 CB 1.826 38 residues pruned to eliminate duplicates Z: 37 52.346 2.277 0.974 0.618 0.972 0.667 CB 1.786 37 residues pruned to eliminate duplicates Z: 36 61.417 2.385 1.131 0.623 0.971 0.686 CB 1.872 36 residues pruned to eliminate duplicates Z: 45 67.072 2.413 0.977 0.620 1.000 0.659 CB 1.893 45 residues pruned to eliminate duplicates Z: 47 62.831 2.390 0.890 0.619 0.978 0.652 CB 1.873 47 residues pruned to eliminate duplicates Z: 46 65.057 2.404 0.950 0.614 1.000 0.711 CB 1.857 46 residues pruned to eliminate duplicates Z: 36 67.867 2.372 1.221 0.674 1.000 0.714 CB 1.855 36 residues pruned to eliminate duplicates Z: 47 58.134 2.335 0.960 0.588 0.957 0.717 CB 1.800 47 residues pruned to eliminate duplicates Z: 104 83.285 2.294 0.849 0.649 0.942 0.738 CB 1.787 104 residues pruned to eliminate duplicates Z: 46 61.276 2.386 0.987 0.606 0.933 0.711 CB 1.865 46 residues pruned to eliminate duplicates Z: 56 52.972 2.269 0.804 0.578 0.927 0.691 CB 1.745 56 residues pruned to eliminate duplicates Z: 44 66.050 2.395 0.925 0.657 1.000 0.767 CB 1.888 44 residues pruned to eliminate duplicates Z: 64 58.628 2.331 0.830 0.548 0.937 0.619 CB 1.765 64 residues pruned to eliminate duplicates Z: 48 51.761 2.291 0.809 0.546 0.957 0.702 CB 1.819 48 residues pruned to eliminate duplicates Z: 37 54.695 2.307 1.048 0.610 0.944 0.750 CB 1.840 37 residues pruned to eliminate duplicates Z: 46 62.409 2.370 0.914 0.632 0.978 0.733 CB 1.854 46 residues pruned to eliminate duplicates Z: 47 62.586 2.343 1.023 0.599 0.978 0.652 CB 1.811 47 residues pruned to eliminate duplicates Z: 54 65.014 2.385 0.832 0.637 0.943 0.642 CB 1.905 54 residues pruned to eliminate duplicates Z: 47 62.104 2.321 0.927 0.643 1.000 0.696 CB 1.791 47 residues pruned to eliminate duplicates Z: 38 34.188 2.108 0.551 0.616 0.946 0.595 CB 1.629 Z: 6 7.666 1.831 0.518 0.448 1.000 0.800 CB 1.301 6 residues pruned to eliminate duplicates Z: 9 8.482 1.988 0.396 0.376 0.875 0.375 CB 1.410 9 residues pruned to eliminate duplicates Z: 9 9.508 1.985 0.398 0.449 0.875 0.500 CB 1.459 9 residues pruned to eliminate duplicates Z: 9 9.083 1.829 0.286 0.418 1.000 0.500 CB 1.487 9 residues pruned to eliminate duplicates Z: 58 36.775 2.043 0.594 0.540 0.930 0.579 CB 1.547 51 residues pruned to eliminate duplicates Z: 11 9.032 1.787 0.385 0.547 0.900 0.600 CA 1.225 11 residues pruned to eliminate duplicates Z: 8 9.711 1.904 0.666 0.379 1.000 0.714 CA 1.317 8 residues pruned to eliminate duplicates Z: 13 8.771 2.031 0.445 0.405 0.667 0.417 CA 1.430 13 residues pruned to eliminate duplicates Z: 23 13.578 1.941 0.383 0.401 0.773 0.409 CB 1.549 23 residues pruned to eliminate duplicates Z: 33 19.836 1.911 0.350 0.542 0.938 0.625 CB 1.391 33 residues pruned to eliminate duplicates Z: 24 35.299 2.282 0.346 0.846 0.957 0.739 CB 1.861 24 residues pruned to eliminate duplicates Z: 38 32.386 2.141 0.495 0.648 0.892 0.676 CB 1.626 38 residues pruned to eliminate duplicates Z: 45 29.401 2.085 0.419 0.582 0.886 0.682 CB 1.562 45 residues pruned to eliminate duplicates Z: 49 28.860 2.047 0.473 0.586 0.854 0.646 CB 1.489 49 residues pruned to eliminate duplicates Z: 30 34.748 2.176 0.598 0.710 0.931 0.655 CB 1.647 30 residues pruned to eliminate duplicates Z: 34 29.725 2.126 0.449 0.692 0.879 0.697 CB 1.604 34 residues pruned to eliminate duplicates Z: 35 37.615 2.161 0.527 0.689 0.971 0.706 CB 1.694 35 residues pruned to eliminate duplicates Z: 45 30.405 2.043 0.519 0.605 0.886 0.591 CB 1.509 45 residues pruned to eliminate duplicates Z: 25 44.013 2.202 0.702 0.824 1.000 0.625 CB 1.811 25 residues pruned to eliminate duplicates Z: 39 37.161 2.091 0.633 0.653 0.947 0.658 CB 1.616 38 residues pruned to eliminate duplicates Z: 24 33.381 2.212 0.444 0.844 0.957 0.696 CB 1.696 24 residues pruned to eliminate duplicates Z: 30 24.194 2.105 0.397 0.553 0.897 0.517 CB 1.617 30 residues pruned to eliminate duplicates Z: 29 26.783 2.161 0.409 0.580 0.893 0.643 CB 1.724 29 residues pruned to eliminate duplicates Z: 33 48.415 2.309 1.033 0.713 0.938 0.781 CB 1.604 33 residues pruned to eliminate duplicates Z: 127 88.048 2.332 0.686 0.719 0.944 0.762 CB 1.732 186 residues pruned to eliminate duplicates Z: 99 90.879 2.402 0.726 0.772 0.969 0.776 CB 1.796 99 residues pruned to eliminate duplicates Z: 78 78.528 2.384 0.786 0.766 0.935 0.831 CB 1.775 78 residues pruned to eliminate duplicates Z: 131 87.697 2.337 0.690 0.702 0.931 0.762 CB 1.741 131 residues pruned to eliminate duplicates Z: 94 86.564 2.378 0.685 0.771 0.957 0.839 CB 1.842 94 residues pruned to eliminate duplicates Z: 106 77.919 2.316 0.668 0.699 0.924 0.762 CB 1.778 106 residues pruned to eliminate duplicates Z: 108 94.202 2.385 0.765 0.757 0.963 0.776 CB 1.788 108 residues pruned to eliminate duplicates Z: 92 98.839 2.419 0.837 0.796 0.978 0.835 CB 1.840 92 residues pruned to eliminate duplicates Z: 80 81.314 2.388 0.799 0.740 0.949 0.797 CB 1.809 80 residues pruned to eliminate duplicates Z: 66 73.780 2.364 0.714 0.822 0.969 0.831 CB 1.763 66 residues pruned to eliminate duplicates Z: 109 86.030 2.369 0.706 0.735 0.944 0.759 CB 1.755 109 residues pruned to eliminate duplicates Z: 93 69.264 2.296 0.644 0.728 0.913 0.761 CB 1.706 93 residues pruned to eliminate duplicates Z: 96 84.570 2.370 0.707 0.755 0.958 0.832 CB 1.784 96 residues pruned to eliminate duplicates Z: 101 85.190 2.385 0.751 0.744 0.940 0.770 CB 1.744 101 residues pruned to eliminate duplicates Z: 130 94.229 2.348 0.767 0.716 0.946 0.698 CB 1.738 130 residues pruned to eliminate duplicates Z: 50 52.052 2.281 0.847 0.698 0.918 0.694 CB 1.604 50 residues pruned to eliminate duplicates Z: 100 89.896 2.392 0.746 0.751 0.970 0.768 CB 1.784 100 residues pruned to eliminate duplicates Z: 67 82.433 2.328 0.850 0.816 0.985 0.788 CB 1.818 67 residues pruned to eliminate duplicates Z: 93 95.366 2.402 0.832 0.784 0.967 0.848 CB 1.820 93 residues pruned to eliminate duplicates Z: 26 55.248 2.332 1.340 0.842 0.960 0.880 CB 1.572 26 residues pruned to eliminate duplicates Z: 65 85.194 2.387 0.851 0.828 0.984 0.906 CB 1.844 65 residues pruned to eliminate duplicates Z: 108 97.561 2.384 0.806 0.761 0.963 0.776 CB 1.804 108 residues pruned to eliminate duplicates Z: 119 89.877 2.337 0.741 0.707 0.966 0.754 CB 1.743 119 residues pruned to eliminate duplicates Z: 67 81.876 2.362 0.831 0.812 0.970 0.848 CB 1.831 67 residues pruned to eliminate duplicates Z: 97 93.754 2.376 0.880 0.759 0.948 0.771 CB 1.795 97 residues pruned to eliminate duplicates Z: 94 91.511 2.392 0.757 0.784 0.978 0.871 CB 1.797 94 residues pruned to eliminate duplicates Z: 67 78.915 2.343 0.824 0.808 0.955 0.848 CB 1.820 67 residues pruned to eliminate duplicates Z: 44 54.891 2.278 0.547 0.801 0.977 0.837 CB 1.868 44 residues pruned to eliminate duplicates Z: 94 91.856 2.383 0.817 0.781 0.957 0.817 CB 1.795 94 residues pruned to eliminate duplicates Z: 130 91.479 2.353 0.700 0.725 0.930 0.767 CB 1.768 130 residues pruned to eliminate duplicates Z: 95 86.788 2.350 0.778 0.783 0.936 0.840 CB 1.784 95 residues pruned to eliminate duplicates Z: 97 70.586 2.350 0.607 0.671 0.896 0.688 CB 1.819 97 residues pruned to eliminate duplicates Z: 93 92.692 2.406 0.806 0.776 0.946 0.804 CB 1.843 93 residues pruned to eliminate duplicates Z: 101 95.937 2.383 0.904 0.753 0.950 0.760 CB 1.776 101 residues pruned to eliminate duplicates Z: 67 80.518 2.348 0.828 0.816 0.970 0.803 CB 1.810 67 residues pruned to eliminate duplicates Z: 92 91.674 2.369 0.973 0.792 0.912 0.714 CB 1.744 92 residues pruned to eliminate duplicates Z: 107 81.337 2.277 0.808 0.698 0.925 0.736 CB 1.732 107 residues pruned to eliminate duplicates Z: 61 92.521 2.363 1.107 0.841 0.967 0.850 CB 1.851 61 residues pruned to eliminate duplicates Z: 131 96.132 2.332 0.832 0.716 0.938 0.708 CB 1.729 131 residues pruned to eliminate duplicates Z: 122 85.829 2.317 0.781 0.716 0.909 0.711 CB 1.710 122 residues pruned to eliminate duplicates Z: 109 99.944 2.368 0.947 0.755 0.954 0.759 CB 1.742 109 residues pruned to eliminate duplicates Z: 79 96.058 2.395 1.014 0.756 0.987 0.821 CB 1.819 79 residues pruned to eliminate duplicates Z: 45 66.084 2.269 0.915 0.776 0.977 0.727 C 1.839 45 residues pruned to eliminate duplicates Z: 79 75.583 2.306 0.944 0.753 0.910 0.679 CB 1.674 79 residues pruned to eliminate duplicates Z: 78 91.928 2.388 1.001 0.758 0.974 0.753 CB 1.790 78 residues pruned to eliminate duplicates Z: 76 85.356 2.369 0.858 0.757 0.973 0.680 CB 1.830 76 residues pruned to eliminate duplicates Z: 69 90.978 2.335 1.045 0.803 0.985 0.706 CB 1.800 69 residues pruned to eliminate duplicates Z: 100 101.119 2.383 0.989 0.762 0.960 0.788 CB 1.771 100 residues pruned to eliminate duplicates Z: 108 106.441 2.384 0.958 0.752 0.972 0.664 CB 1.811 108 residues pruned to eliminate duplicates Z: 110 100.830 2.353 0.959 0.732 0.954 0.688 CB 1.782 110 residues pruned to eliminate duplicates Z: 109 105.162 2.372 1.013 0.754 0.963 0.694 CB 1.754 109 residues pruned to eliminate duplicates Z: 99 83.212 2.272 0.873 0.717 0.929 0.694 CB 1.749 99 residues pruned to eliminate duplicates Z: 75 100.068 2.379 1.104 0.770 0.986 0.770 CB 1.854 75 residues pruned to eliminate duplicates Z: 98 77.909 2.258 0.865 0.732 0.907 0.691 CB 1.680 98 residues pruned to eliminate duplicates Z: 69 86.594 2.302 1.087 0.798 0.985 0.721 CB 1.709 69 residues pruned to eliminate duplicates Z: 113 106.534 2.375 0.999 0.744 0.955 0.696 CB 1.784 113 residues pruned to eliminate duplicates Z: 101 99.979 2.379 0.984 0.768 0.920 0.770 CB 1.817 101 residues pruned to eliminate duplicates Z: 93 101.932 2.362 1.074 0.772 0.957 0.685 CB 1.783 93 residues pruned to eliminate duplicates Z: 67 90.987 2.352 1.139 0.809 0.970 0.667 CB 1.754 67 residues pruned to eliminate duplicates Z: 128 102.817 2.346 0.910 0.729 0.953 0.756 CB 1.738 128 residues pruned to eliminate duplicates Z: 76 83.330 2.356 0.907 0.745 0.947 0.760 CB 1.817 76 residues pruned to eliminate duplicates Z: 139 102.348 2.321 0.884 0.712 0.942 0.696 CB 1.745 139 residues pruned to eliminate duplicates Z: 57 76.902 2.343 1.025 0.741 0.946 0.732 CB 1.844 57 residues pruned to eliminate duplicates Z: 100 105.768 2.395 1.003 0.779 0.960 0.747 CB 1.805 100 residues pruned to eliminate duplicates Z: 100 107.656 2.391 1.059 0.774 0.970 0.768 CB 1.779 100 residues pruned to eliminate duplicates Z: 62 78.366 2.346 0.905 0.759 0.967 0.672 CB 1.844 62 residues pruned to eliminate duplicates Z: 109 105.344 2.378 0.994 0.751 0.954 0.704 CB 1.792 109 residues pruned to eliminate duplicates Z: 108 105.851 2.381 0.990 0.757 0.953 0.766 CB 1.803 108 residues pruned to eliminate duplicates Z: 121 94.514 2.322 0.933 0.699 0.925 0.675 CB 1.734 121 residues pruned to eliminate duplicates Z: 77 78.045 2.327 0.894 0.724 0.947 0.645 CB 1.751 77 residues pruned to eliminate duplicates Z: 139 99.776 2.315 0.894 0.707 0.913 0.710 CB 1.757 139 residues pruned to eliminate duplicates Z: 131 97.364 2.328 0.869 0.718 0.946 0.677 CB 1.703 131 residues pruned to eliminate duplicates Z: 78 84.778 2.353 0.915 0.732 0.961 0.688 CB 1.812 78 residues pruned to eliminate duplicates Z: 92 105.539 2.402 1.038 0.777 0.967 0.681 CB 1.830 92 residues pruned to eliminate duplicates Z: 101 99.446 2.381 1.011 0.765 0.950 0.770 CB 1.727 101 residues pruned to eliminate duplicates Z: 84 85.821 2.296 1.000 0.713 0.952 0.711 CB 1.776 84 residues pruned to eliminate duplicates Z: 87 76.243 2.310 0.799 0.729 0.930 0.698 CB 1.730 87 residues pruned to eliminate duplicates Z: 109 102.202 2.356 1.034 0.754 0.944 0.694 CB 1.733 109 residues pruned to eliminate duplicates Z: 109 103.321 2.363 0.998 0.750 0.954 0.713 CB 1.766 109 residues pruned to eliminate duplicates Z: 96 106.974 2.384 1.074 0.781 0.958 0.737 CB 1.809 96 residues pruned to eliminate duplicates Z: 109 103.902 2.356 1.043 0.750 0.944 0.731 CB 1.760 109 residues pruned to eliminate duplicates Z: 28 38.289 2.387 0.966 0.686 0.815 0.704 CB 1.625 28 residues pruned to eliminate duplicates Z: 100 105.699 2.387 1.042 0.760 0.970 0.737 CB 1.783 100 residues pruned to eliminate duplicates Z: 85 88.914 2.351 0.943 0.733 0.940 0.655 CB 1.832 85 residues pruned to eliminate duplicates Z: 92 110.753 2.402 1.104 0.791 0.978 0.758 CB 1.820 92 residues pruned to eliminate duplicates Z: 105 108.122 2.369 1.113 0.761 0.952 0.654 CB 1.764 105 residues pruned to eliminate duplicates Z: 109 104.018 2.361 1.048 0.748 0.954 0.722 CB 1.740 109 residues pruned to eliminate duplicates Z: 94 99.361 2.333 1.097 0.760 0.935 0.710 CB 1.787 94 residues pruned to eliminate duplicates Z: 94 108.812 2.370 1.135 0.789 0.957 0.753 CB 1.807 94 residues pruned to eliminate duplicates Z: 28 49.890 2.293 1.129 0.732 0.926 0.704 CB 1.724 28 residues pruned to eliminate duplicates Z: 100 105.275 2.368 1.093 0.767 0.949 0.747 CB 1.775 100 residues pruned to eliminate duplicates Z: 7 5.917 1.935 0.276 0.353 0.833 0.667 CB 1.376 7 residues pruned to eliminate duplicates Z: 100 104.242 2.371 1.058 0.765 0.960 0.737 CB 1.769 100 residues pruned to eliminate duplicates Z: 108 104.671 2.364 1.011 0.761 0.963 0.729 CB 1.754 108 residues pruned to eliminate duplicates Z: 8 9.006 2.006 0.472 0.504 0.857 0.571 CB 1.340 8 residues pruned to eliminate duplicates Z: 17 18.080 2.120 0.606 0.555 0.875 0.438 CB 1.439 17 residues pruned to eliminate duplicates Z: 128 106.249 2.354 0.932 0.740 0.953 0.709 CB 1.754 128 residues pruned to eliminate duplicates Z: 15 17.586 2.188 0.489 0.578 0.929 0.357 CB 1.441 15 residues pruned to eliminate duplicates Z: 28 17.742 2.127 0.413 0.396 0.778 0.407 CB 1.630 28 residues pruned to eliminate duplicates Z: 14 15.031 2.204 0.506 0.618 0.846 0.462 CB 1.328 14 residues pruned to eliminate duplicates Z: 11 12.787 2.203 0.741 0.506 0.800 0.300 CB 1.310 11 residues pruned to eliminate duplicates Z: 11 16.692 2.224 0.627 0.585 0.900 0.500 CB 1.493 11 residues pruned to eliminate duplicates Z: 11 17.096 2.253 0.638 0.529 0.800 0.400 C 1.780 11 residues pruned to eliminate duplicates Z: 11 17.299 2.182 0.781 0.514 0.900 0.300 CA 1.543 11 residues pruned to eliminate duplicates Z: 20 17.391 2.098 0.573 0.432 0.789 0.526 CB 1.644 20 residues pruned to eliminate duplicates Z: 11 13.929 2.053 0.751 0.509 0.800 0.400 C 1.517 11 residues pruned to eliminate duplicates Z: 11 18.111 2.223 0.692 0.609 0.900 0.500 CB 1.526 11 residues pruned to eliminate duplicates Z: 23 21.618 2.226 0.496 0.468 0.864 0.500 CB 1.656 23 residues pruned to eliminate duplicates Z: 11 12.287 2.186 0.413 0.423 0.800 0.700 CA 1.704 11 residues pruned to eliminate duplicates Z: 15 12.522 2.140 -0.084 0.530 1.000 0.500 CB 1.658 15 residues pruned to eliminate duplicates Z: 22 18.201 2.162 0.395 0.442 0.810 0.619 CB 1.727 22 residues pruned to eliminate duplicates Z: 16 14.948 2.101 0.342 0.517 0.800 0.600 CB 1.683 16 residues pruned to eliminate duplicates Z: 17 17.272 2.259 0.230 0.458 0.875 0.625 CA 1.855 17 residues pruned to eliminate duplicates Z: 12 14.179 2.281 0.224 0.484 0.909 0.545 CA 1.712 12 residues pruned to eliminate duplicates Z: 47 49.165 2.170 0.916 0.630 0.957 0.652 CB 1.613 47 residues pruned to eliminate duplicates Z: 47 50.923 2.206 0.760 0.643 0.978 0.674 CB 1.730 47 residues pruned to eliminate duplicates Z: 46 52.245 2.220 0.776 0.630 1.000 0.667 CB 1.748 46 residues pruned to eliminate duplicates Z: 46 50.305 2.228 0.756 0.653 0.978 0.711 CB 1.700 46 residues pruned to eliminate duplicates Z: 37 50.667 2.214 0.904 0.650 1.000 0.667 CB 1.741 37 residues pruned to eliminate duplicates Z: 37 47.547 2.174 0.992 0.662 0.944 0.667 CB 1.667 37 residues pruned to eliminate duplicates Z: 47 50.998 2.205 0.785 0.637 0.978 0.717 CB 1.717 47 residues pruned to eliminate duplicates Z: 45 55.981 2.268 0.913 0.642 0.977 0.705 CB 1.744 45 residues pruned to eliminate duplicates Z: 37 50.953 2.197 1.087 0.675 0.944 0.722 CB 1.668 37 residues pruned to eliminate duplicates Z: 37 51.772 2.201 0.981 0.664 0.972 0.750 CB 1.749 37 residues pruned to eliminate duplicates Z: 37 46.372 2.175 0.958 0.663 0.944 0.722 CB 1.652 37 residues pruned to eliminate duplicates Z: 37 46.048 2.151 0.891 0.641 0.972 0.694 CB 1.700 37 residues pruned to eliminate duplicates Z: 45 54.975 2.235 0.941 0.652 0.955 0.705 CB 1.737 45 residues pruned to eliminate duplicates Z: 37 50.144 2.178 1.084 0.662 0.944 0.722 CB 1.677 37 residues pruned to eliminate duplicates Z: 36 53.118 2.233 1.034 0.677 0.971 0.800 CB 1.729 36 residues pruned to eliminate duplicates Z: 46 47.655 2.213 0.751 0.617 0.978 0.711 CB 1.679 46 residues pruned to eliminate duplicates Z: 46 53.614 2.222 0.912 0.636 0.978 0.711 CB 1.693 46 residues pruned to eliminate duplicates Z: 36 56.713 2.230 1.109 0.681 0.971 0.771 CB 1.776 36 residues pruned to eliminate duplicates Z: 35 44.580 2.197 0.883 0.633 0.971 0.676 CB 1.680 35 residues pruned to eliminate duplicates Z: 36 49.233 2.192 1.005 0.671 0.943 0.743 CB 1.715 36 residues pruned to eliminate duplicates Z: 37 50.588 2.167 1.190 0.681 0.889 0.694 CB 1.693 37 residues pruned to eliminate duplicates Z: 35 42.179 2.159 0.857 0.608 0.971 0.706 CB 1.677 35 residues pruned to eliminate duplicates Z: 45 59.518 2.253 0.981 0.651 0.977 0.727 CB 1.787 45 residues pruned to eliminate duplicates Z: 46 58.094 2.210 1.028 0.634 1.000 0.622 CB 1.703 46 residues pruned to eliminate duplicates Z: 47 55.816 2.203 1.014 0.625 0.978 0.696 CB 1.685 47 residues pruned to eliminate duplicates Z: 35 50.992 2.196 0.965 0.679 1.000 0.765 CB 1.719 35 residues pruned to eliminate duplicates Z: 47 49.665 2.216 0.862 0.599 0.935 0.739 CB 1.728 47 residues pruned to eliminate duplicates Z: 27 40.730 2.108 0.951 0.676 1.000 0.731 CB 1.652 27 residues pruned to eliminate duplicates Z: 53 43.349 2.135 0.738 0.578 0.942 0.673 CB 1.596 53 residues pruned to eliminate duplicates Z: 45 59.674 2.254 0.959 0.659 0.977 0.705 CB 1.799 45 residues pruned to eliminate duplicates Z: 26 42.300 2.202 0.907 0.718 0.960 0.720 CB 1.723 26 residues pruned to eliminate duplicates Z: 36 49.751 2.175 1.113 0.660 0.943 0.771 CB 1.672 36 residues pruned to eliminate duplicates Z: 35 50.689 2.198 1.032 0.671 1.000 0.765 CB 1.663 35 residues pruned to eliminate duplicates 630 residues left after pruning, divided into chains as follows: A: 32 B: 49 C: 23 D: 25 E: 6 F: 174 G: 27 H: 294 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 37.17 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.379, Connect. = 0.723 for dens.mod. cycle 1 = 0.300, Contrast = 0.433, Connect. = 0.749 for dens.mod. cycle 2 = 0.300, Contrast = 0.508, Connect. = 0.781 for dens.mod. cycle 3 = 0.300, Contrast = 0.513, Connect. = 0.782 for dens.mod. cycle 4 = 0.300, Contrast = 0.523, Connect. = 0.785 for dens.mod. cycle 5 = 0.300, Contrast = 0.529, Connect. = 0.787 for dens.mod. cycle 6 = 0.300, Contrast = 0.536, Connect. = 0.789 for dens.mod. cycle 7 = 0.300, Contrast = 0.541, Connect. = 0.790 for dens.mod. cycle 8 = 0.300, Contrast = 0.546, Connect. = 0.791 for dens.mod. cycle 9 = 0.300, Contrast = 0.550, Connect. = 0.792 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5426 peaks > 0.5 sigma used to seed fragment search Space for about 755 unique residues taking solvent into account 1016 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 30.440 2.442 0.562 0.844 0.909 0.727 CB 1.970 B: 12 22.487 2.288 0.604 0.794 0.818 0.727 CA 1.745 12 residues pruned to eliminate duplicates C: 20 44.997 2.337 0.758 0.905 1.000 0.789 CB 1.788 D: 17 41.542 2.439 0.703 0.889 0.938 0.875 CB 1.921 E: 20 38.802 2.305 0.758 0.891 0.895 0.737 C 1.764 20 residues pruned to eliminate duplicates F: 18 35.134 2.284 0.746 0.832 0.941 0.765 CB 1.704 18 residues pruned to eliminate duplicates G: 23 45.872 2.436 0.762 0.908 0.955 0.955 CB 1.695 H: 19 40.367 2.349 0.591 0.883 1.000 0.778 CA 1.840 12 residues pruned to eliminate duplicates I: 18 36.077 2.315 0.591 0.870 0.941 0.706 CB 1.842 18 residues pruned to eliminate duplicates J: 46 65.903 2.402 0.867 0.667 1.000 0.689 CB 1.878 17 residues pruned to eliminate duplicates K: 19 38.585 2.410 0.479 0.895 1.000 0.778 CB 1.828 L: 117 93.979 2.321 0.907 0.713 0.940 0.647 CB 1.729 43 residues pruned to eliminate duplicates M: 20 42.780 2.286 0.928 0.916 1.000 0.789 CB 1.572 N: 53 48.774 2.205 0.727 0.651 0.962 0.712 CB 1.604 12 residues pruned to eliminate duplicates O: 33 65.149 2.327 0.846 0.934 1.000 0.719 CB 1.870 33 residues pruned to eliminate duplicates P: 23 58.714 2.367 1.250 0.925 0.955 0.818 CB 1.727 31 residues pruned to eliminate duplicates Q: 20 37.755 2.312 0.791 0.882 0.947 0.789 CB 1.598 20 residues pruned to eliminate duplicates R: 63 46.956 2.211 0.748 0.574 0.903 0.677 CB 1.591 62 residues pruned to eliminate duplicates S: 24 44.830 2.195 0.728 0.936 0.957 0.957 CB 1.795 T: 18 52.230 2.412 1.108 0.909 0.941 0.588 C 1.879 19 residues pruned to eliminate duplicates U: 40 47.560 2.272 0.304 0.921 0.974 0.974 CB 1.856 V: 22 51.038 2.325 0.820 0.952 1.000 0.857 CB 1.812 24 residues pruned to eliminate duplicates W: 8 24.684 2.328 0.642 0.811 1.000 0.571 CA 1.862 X: 17 42.336 2.498 0.505 0.910 1.000 0.812 CB 1.997 17 residues pruned to eliminate duplicates Y: 16 37.906 2.368 0.599 0.929 0.933 0.867 CA 1.938 16 residues pruned to eliminate duplicates Z: 20 40.698 2.317 0.856 0.892 0.947 0.789 CB 1.646 20 residues pruned to eliminate duplicates Z: 24 48.086 2.388 0.757 0.861 0.913 0.696 C 1.923 Z: 19 38.276 2.278 0.708 0.920 0.944 0.722 C 1.728 19 residues pruned to eliminate duplicates Z: 11 34.969 2.399 0.748 0.873 1.000 0.700 C 1.919 11 residues pruned to eliminate duplicates Z: 18 48.373 2.434 0.797 0.882 1.000 0.588 CB 1.941 19 residues pruned to eliminate duplicates Z: 40 59.170 2.293 0.636 0.908 0.974 0.769 CB 1.841 40 residues pruned to eliminate duplicates Z: 39 53.166 2.345 0.415 0.886 0.974 0.921 CA 1.926 40 residues pruned to eliminate duplicates Z: 20 35.895 2.207 0.503 0.913 1.000 0.947 CB 1.757 20 residues pruned to eliminate duplicates Z: 31 47.102 2.067 0.959 0.839 0.967 0.733 CB 1.640 Z: 18 34.776 2.429 0.348 0.879 1.000 0.765 CB 1.868 18 residues pruned to eliminate duplicates Z: 20 32.632 2.191 0.666 0.856 0.895 0.632 CB 1.691 20 residues pruned to eliminate duplicates Z: 31 40.226 2.040 0.773 0.866 0.933 0.667 CB 1.592 31 residues pruned to eliminate duplicates Z: 18 35.324 2.287 0.563 0.898 1.000 0.706 CB 1.714 18 residues pruned to eliminate duplicates Z: 24 45.080 2.302 0.727 0.937 1.000 0.913 CB 1.646 24 residues pruned to eliminate duplicates Z: 24 55.960 2.211 1.073 0.931 1.000 0.870 C 1.778 22 residues pruned to eliminate duplicates Z: 10 43.841 2.541 1.115 0.916 1.000 0.889 C 1.921 10 residues pruned to eliminate duplicates Z: 19 41.121 2.430 0.478 0.879 1.000 0.722 C 1.957 19 residues pruned to eliminate duplicates Z: 19 32.247 2.241 0.500 0.878 1.000 0.778 CB 1.640 19 residues pruned to eliminate duplicates Z: 35 63.212 2.278 0.852 0.935 1.000 0.647 CB 1.791 35 residues pruned to eliminate duplicates Z: 23 45.451 2.340 0.710 0.930 1.000 0.864 CB 1.694 23 residues pruned to eliminate duplicates Z: 15 37.597 2.115 0.945 0.917 1.000 1.000 CB 1.724 Z: 19 40.801 2.470 0.498 0.859 1.000 0.833 CB 1.912 19 residues pruned to eliminate duplicates Z: 17 35.500 2.268 0.628 0.906 0.938 0.812 C 1.824 17 residues pruned to eliminate duplicates Z: 20 36.320 2.306 0.634 0.897 0.947 0.842 CB 1.671 20 residues pruned to eliminate duplicates Z: 19 37.743 2.219 0.802 0.882 1.000 0.778 CB 1.609 19 residues pruned to eliminate duplicates Z: 39 50.626 2.331 0.348 0.891 1.000 0.895 CA 1.878 39 residues pruned to eliminate duplicates Z: 31 45.743 2.082 0.836 0.871 0.967 0.567 CB 1.649 31 residues pruned to eliminate duplicates Z: 44 59.142 2.362 0.796 0.679 0.977 0.744 CB 1.847 26 residues pruned to eliminate duplicates Z: 31 41.981 2.057 0.719 0.916 0.967 0.733 CB 1.584 Z: 41 57.311 2.275 0.685 0.875 0.925 0.650 C 1.858 41 residues pruned to eliminate duplicates Z: 32 44.961 2.048 0.790 0.868 1.000 0.710 CB 1.610 31 residues pruned to eliminate duplicates Z: 8 11.402 2.063 0.133 0.819 0.857 0.714 CB 1.631 8 residues pruned to eliminate duplicates Z: 30 47.255 2.138 0.867 0.888 0.931 0.724 CB 1.701 30 residues pruned to eliminate duplicates Z: 18 39.448 2.245 0.842 0.868 0.941 0.529 CA 1.797 18 residues pruned to eliminate duplicates Z: 24 51.213 2.160 1.002 0.934 1.000 0.870 CB 1.722 24 residues pruned to eliminate duplicates Z: 10 14.731 1.863 0.661 0.853 0.889 0.556 CA 1.320 Z: 13 24.514 2.222 0.439 0.824 1.000 0.833 C 1.671 13 residues pruned to eliminate duplicates Z: 23 48.595 2.267 0.756 0.936 1.000 0.818 CB 1.813 23 residues pruned to eliminate duplicates Z: 20 31.831 2.276 0.342 0.883 1.000 0.789 CB 1.728 20 residues pruned to eliminate duplicates Z: 41 66.618 2.278 0.794 0.882 1.000 0.700 CB 1.865 39 residues pruned to eliminate duplicates Z: 20 49.897 2.321 0.945 0.908 1.000 0.579 CB 1.800 20 residues pruned to eliminate duplicates Z: 19 38.017 2.272 0.606 0.929 1.000 0.833 CB 1.719 19 residues pruned to eliminate duplicates Z: 6 10.612 2.200 0.268 0.751 0.800 0.600 CB 1.701 5 residues pruned to eliminate duplicates Z: 21 41.108 2.257 0.655 0.885 1.000 0.700 CB 1.777 21 residues pruned to eliminate duplicates Z: 18 38.812 2.325 0.677 0.869 1.000 0.588 CB 1.763 18 residues pruned to eliminate duplicates Z: 22 49.036 2.449 0.750 0.954 1.000 1.000 CB 1.717 22 residues pruned to eliminate duplicates Z: 12 37.379 2.310 1.141 0.908 0.909 0.818 CA 1.781 12 residues pruned to eliminate duplicates Z: 20 35.027 2.321 0.707 0.899 0.947 0.789 CB 1.531 20 residues pruned to eliminate duplicates Z: 24 44.907 2.280 0.807 0.929 1.000 0.913 CB 1.591 24 residues pruned to eliminate duplicates Z: 20 28.479 2.037 0.526 0.814 0.895 0.737 C 1.787 20 residues pruned to eliminate duplicates Z: 23 47.477 2.213 0.942 0.948 0.955 0.864 CB 1.705 23 residues pruned to eliminate duplicates Z: 15 36.803 2.116 0.957 0.882 1.000 0.929 CB 1.719 15 residues pruned to eliminate duplicates Z: 19 29.726 2.295 0.416 0.883 0.889 0.833 CB 1.754 19 residues pruned to eliminate duplicates Z: 101 98.674 2.381 0.895 0.757 0.980 0.750 CB 1.775 99 residues pruned to eliminate duplicates Z: 40 61.617 2.314 0.697 0.898 0.974 0.872 CB 1.844 40 residues pruned to eliminate duplicates Z: 22 25.917 2.079 0.529 0.891 0.857 0.762 CB 1.492 22 residues pruned to eliminate duplicates Z: 41 60.216 2.299 0.652 0.876 0.975 0.800 CB 1.869 41 residues pruned to eliminate duplicates Z: 19 37.959 2.453 0.496 0.863 0.944 0.667 C 1.893 19 residues pruned to eliminate duplicates Z: 25 42.317 2.303 0.582 0.872 0.917 0.750 CA 1.885 25 residues pruned to eliminate duplicates Z: 23 53.069 2.250 1.047 0.942 0.955 0.636 C 1.785 23 residues pruned to eliminate duplicates Z: 31 46.948 2.102 0.815 0.894 0.967 0.767 CB 1.667 31 residues pruned to eliminate duplicates Z: 14 17.367 2.136 0.206 0.758 0.846 0.462 CA 1.756 19 residues pruned to eliminate duplicates Z: 15 34.944 2.125 0.853 0.930 1.000 1.000 CB 1.658 15 residues pruned to eliminate duplicates Z: 7 10.645 2.003 0.377 0.860 0.833 0.667 CB 1.390 7 residues pruned to eliminate duplicates Z: 24 49.239 2.286 1.110 0.936 0.913 0.826 CB 1.623 24 residues pruned to eliminate duplicates Z: 38 68.429 2.351 0.746 0.913 1.000 0.919 CB 1.939 38 residues pruned to eliminate duplicates Z: 19 34.965 2.222 0.847 0.817 0.944 0.667 CB 1.615 19 residues pruned to eliminate duplicates Z: 35 62.346 2.295 0.821 0.933 0.971 0.912 CB 1.839 35 residues pruned to eliminate duplicates Z: 10 16.578 1.974 0.444 0.803 1.000 0.889 C 1.488 8 residues pruned to eliminate duplicates Z: 37 57.245 2.339 0.583 0.895 0.972 0.889 CB 1.901 37 residues pruned to eliminate duplicates Z: 40 56.087 2.304 0.565 0.912 0.949 0.897 CB 1.860 40 residues pruned to eliminate duplicates Z: 112 91.451 2.331 0.910 0.719 0.910 0.667 CB 1.759 112 residues pruned to eliminate duplicates Z: 90 95.475 2.363 0.868 0.808 0.978 0.820 CB 1.793 83 residues pruned to eliminate duplicates Z: 43 56.517 2.437 0.606 0.662 0.976 0.690 CB 1.964 43 residues pruned to eliminate duplicates Z: 8 12.041 2.047 0.307 0.846 0.857 0.571 CB 1.474 8 residues pruned to eliminate duplicates Z: 19 48.938 2.336 0.854 0.883 1.000 0.667 CA 1.927 19 residues pruned to eliminate duplicates Z: 18 37.430 2.376 0.638 0.871 0.941 0.706 C 1.807 18 residues pruned to eliminate duplicates Z: 19 41.085 2.237 0.889 0.899 0.944 0.778 CB 1.735 19 residues pruned to eliminate duplicates Z: 20 35.809 2.331 0.567 0.843 0.947 0.737 C 1.767 20 residues pruned to eliminate duplicates Z: 41 60.288 2.274 0.728 0.877 0.975 0.675 C 1.807 41 residues pruned to eliminate duplicates Z: 18 40.991 2.391 0.612 0.889 1.000 0.824 CB 1.857 18 residues pruned to eliminate duplicates Z: 15 38.090 2.102 0.952 0.917 1.000 0.929 CA 1.751 15 residues pruned to eliminate duplicates Z: 21 49.739 2.325 0.850 0.947 1.000 0.950 CB 1.787 21 residues pruned to eliminate duplicates Z: 19 38.592 2.231 0.632 0.894 1.000 0.778 CB 1.792 19 residues pruned to eliminate duplicates Z: 20 34.305 2.246 0.637 0.872 0.895 0.684 CB 1.744 20 residues pruned to eliminate duplicates Z: 9 15.340 1.944 0.366 0.873 0.875 0.750 CB 1.699 Z: 20 44.399 2.185 0.944 0.907 1.000 0.684 CB 1.705 20 residues pruned to eliminate duplicates Z: 19 45.920 2.307 0.816 0.870 1.000 0.778 C 1.885 19 residues pruned to eliminate duplicates Z: 19 40.560 2.320 0.714 0.853 0.944 0.833 C 1.881 19 residues pruned to eliminate duplicates Z: 12 25.072 2.207 0.419 0.849 1.000 0.909 CB 1.789 12 residues pruned to eliminate duplicates Z: 18 42.969 2.348 0.646 0.895 1.000 0.941 C 1.933 18 residues pruned to eliminate duplicates Z: 25 35.355 2.280 0.388 0.847 0.917 0.833 CA 1.847 25 residues pruned to eliminate duplicates Z: 11 8.694 1.574 0.291 0.696 0.900 0.600 CB 1.258 11 residues pruned to eliminate duplicates Z: 24 43.927 2.204 0.852 0.942 0.913 0.826 CB 1.705 24 residues pruned to eliminate duplicates Z: 24 54.912 2.200 1.033 0.942 1.000 0.783 CB 1.775 23 residues pruned to eliminate duplicates Z: 10 16.482 2.120 0.259 0.881 0.889 0.889 CB 1.678 10 residues pruned to eliminate duplicates Z: 55 61.132 2.343 0.847 0.606 0.944 0.648 CB 1.840 54 residues pruned to eliminate duplicates Z: 37 51.889 2.317 0.456 0.903 0.972 0.917 CA 1.879 37 residues pruned to eliminate duplicates Z: 83 69.509 2.198 0.724 0.705 0.963 0.720 CB 1.744 74 residues pruned to eliminate duplicates Z: 16 26.032 2.132 0.922 0.651 0.867 0.600 CB 1.644 16 residues pruned to eliminate duplicates Z: 19 37.308 2.358 0.580 0.919 1.000 0.944 CB 1.663 20 residues pruned to eliminate duplicates Z: 16 36.927 2.036 1.060 0.855 1.000 0.800 CA 1.677 16 residues pruned to eliminate duplicates Z: 38 53.184 2.283 0.872 0.626 1.000 0.703 CB 1.816 38 residues pruned to eliminate duplicates Z: 25 37.420 2.278 0.646 0.848 0.833 0.667 C 1.813 25 residues pruned to eliminate duplicates Z: 18 29.754 2.342 0.358 0.864 0.941 0.824 CB 1.767 18 residues pruned to eliminate duplicates Z: 126 96.332 2.302 0.807 0.698 0.960 0.688 CB 1.802 149 residues pruned to eliminate duplicates Z: 31 43.386 2.078 0.709 0.911 0.967 0.867 CB 1.635 31 residues pruned to eliminate duplicates Z: 39 61.989 2.332 0.720 0.882 0.947 0.868 CB 1.915 39 residues pruned to eliminate duplicates Z: 35 60.901 2.329 0.772 0.918 0.971 0.735 CB 1.840 35 residues pruned to eliminate duplicates Z: 33 55.366 2.303 0.595 0.939 1.000 0.812 CA 1.852 33 residues pruned to eliminate duplicates Z: 40 63.890 2.337 0.678 0.866 1.000 0.744 CA 1.910 40 residues pruned to eliminate duplicates Z: 35 59.419 2.233 0.788 0.928 1.000 0.882 CB 1.788 35 residues pruned to eliminate duplicates Z: 12 16.790 2.174 0.192 0.800 0.818 0.545 C 1.837 12 residues pruned to eliminate duplicates Z: 31 41.676 2.058 0.754 0.893 0.933 0.667 CB 1.621 31 residues pruned to eliminate duplicates Z: 19 37.295 2.367 0.798 0.876 0.889 0.778 CB 1.689 Z: 38 67.573 2.323 0.894 0.932 0.946 0.811 C 1.864 38 residues pruned to eliminate duplicates Z: 18 52.169 2.372 1.132 0.897 0.941 0.647 CB 1.902 18 residues pruned to eliminate duplicates Z: 16 31.678 1.995 0.802 0.897 1.000 0.933 CB 1.629 16 residues pruned to eliminate duplicates Z: 25 32.862 2.003 0.833 0.851 0.875 0.667 CB 1.546 25 residues pruned to eliminate duplicates Z: 28 36.876 2.323 0.525 0.724 0.889 0.667 C 1.841 19 residues pruned to eliminate duplicates Z: 39 67.230 2.339 0.745 0.891 1.000 0.816 CA 1.921 39 residues pruned to eliminate duplicates Z: 17 29.066 2.281 0.280 0.953 1.000 1.000 CA 1.712 17 residues pruned to eliminate duplicates Z: 19 41.361 2.236 1.001 0.892 0.944 0.722 CB 1.658 19 residues pruned to eliminate duplicates Z: 42 60.421 2.385 0.927 0.694 0.902 0.756 CB 1.906 42 residues pruned to eliminate duplicates Z: 29 38.344 2.312 0.636 0.685 0.893 0.643 CB 1.810 29 residues pruned to eliminate duplicates Z: 19 15.928 2.084 0.575 0.514 0.889 0.667 CB 1.268 Z: 39 70.560 2.365 0.789 0.895 1.000 0.789 CB 1.939 39 residues pruned to eliminate duplicates Z: 19 38.307 2.207 0.674 0.890 1.000 0.944 CB 1.758 19 residues pruned to eliminate duplicates Z: 11 24.800 2.077 0.725 0.873 1.000 0.800 CB 1.594 11 residues pruned to eliminate duplicates Z: 23 52.753 2.360 1.108 0.934 1.000 0.864 CB 1.576 23 residues pruned to eliminate duplicates Z: 38 72.266 2.346 0.850 0.910 1.000 0.838 CB 1.941 38 residues pruned to eliminate duplicates Z: 24 57.435 2.370 1.257 0.881 0.957 0.913 CB 1.695 24 residues pruned to eliminate duplicates Z: 19 35.330 2.239 0.667 0.852 0.944 0.722 CA 1.747 19 residues pruned to eliminate duplicates Z: 35 63.012 2.244 0.921 0.930 0.971 0.647 CB 1.805 35 residues pruned to eliminate duplicates Z: 35 68.638 2.267 1.030 0.935 1.000 0.853 CB 1.783 35 residues pruned to eliminate duplicates Z: 20 46.120 2.310 0.959 0.926 1.000 0.632 CB 1.640 19 residues pruned to eliminate duplicates Z: 35 64.194 2.427 1.078 0.654 0.971 0.647 CB 1.948 35 residues pruned to eliminate duplicates Z: 9 32.695 2.404 0.860 0.884 1.000 0.875 CA 1.868 12 residues pruned to eliminate duplicates Z: 126 93.975 2.322 0.806 0.723 0.944 0.752 CB 1.736 126 residues pruned to eliminate duplicates Z: 17 30.344 2.221 0.492 0.901 0.938 0.750 CA 1.743 17 residues pruned to eliminate duplicates Z: 21 55.238 2.241 1.135 0.952 1.000 0.850 CB 1.778 21 residues pruned to eliminate duplicates Z: 22 62.085 2.424 1.309 0.938 1.000 0.667 CB 1.683 22 residues pruned to eliminate duplicates Z: 8 16.830 2.131 1.097 0.638 0.714 0.714 CA 1.752 9 residues pruned to eliminate duplicates Z: 98 95.236 2.330 0.903 0.754 0.969 0.763 CB 1.795 115 residues pruned to eliminate duplicates Z: 14 40.428 2.256 0.914 0.912 1.000 0.769 CB 1.839 15 residues pruned to eliminate duplicates Z: 42 40.165 2.361 0.524 0.638 0.902 0.659 CB 1.698 42 residues pruned to eliminate duplicates Z: 9 18.165 2.104 0.365 0.871 1.000 0.625 CB 1.630 9 residues pruned to eliminate duplicates Z: 15 38.597 2.128 0.978 0.896 1.000 0.929 CA 1.754 15 residues pruned to eliminate duplicates Z: 17 35.504 2.254 0.568 0.949 1.000 1.000 CA 1.733 17 residues pruned to eliminate duplicates Z: 38 45.933 2.329 0.690 0.630 0.919 0.730 CB 1.848 38 residues pruned to eliminate duplicates Z: 21 43.422 2.275 0.711 0.907 1.000 0.750 CB 1.774 21 residues pruned to eliminate duplicates Z: 6 6.028 1.842 0.427 0.811 0.600 0.600 CB 1.304 6 residues pruned to eliminate duplicates Z: 40 48.116 2.316 0.327 0.860 0.974 0.872 CB 1.892 40 residues pruned to eliminate duplicates Z: 53 47.035 2.170 1.020 0.502 0.942 0.577 CB 1.577 24 residues pruned to eliminate duplicates Z: 33 68.665 2.379 0.883 0.924 0.969 0.906 CB 1.965 33 residues pruned to eliminate duplicates Z: 31 49.293 2.077 0.873 0.885 1.000 0.633 CB 1.670 32 residues pruned to eliminate duplicates Z: 8 18.854 2.163 0.596 0.805 1.000 0.429 CA 1.582 8 residues pruned to eliminate duplicates Z: 17 47.092 2.368 0.900 0.890 1.000 0.750 CB 1.882 17 residues pruned to eliminate duplicates Z: 23 41.153 2.295 0.708 0.929 1.000 0.955 CB 1.567 23 residues pruned to eliminate duplicates Z: 45 55.506 2.306 0.778 0.662 0.977 0.636 CB 1.797 45 residues pruned to eliminate duplicates Z: 45 49.178 2.341 0.652 0.601 0.932 0.591 CB 1.869 45 residues pruned to eliminate duplicates Z: 18 36.386 2.313 0.546 0.925 0.941 0.765 CB 1.840 Z: 40 69.288 2.311 0.854 0.864 1.000 0.590 CA 1.897 40 residues pruned to eliminate duplicates Z: 20 34.715 2.210 0.469 0.919 1.000 0.895 CA 1.728 18 residues pruned to eliminate duplicates Z: 8 20.090 2.131 0.463 0.858 1.000 0.857 CA 1.794 8 residues pruned to eliminate duplicates Z: 38 57.801 2.340 0.605 0.883 0.973 0.892 CB 1.880 38 residues pruned to eliminate duplicates Z: 20 42.949 2.205 1.218 0.912 0.947 0.632 CB 1.506 20 residues pruned to eliminate duplicates Z: 9 11.691 1.959 0.263 0.786 0.875 0.625 CA 1.486 9 residues pruned to eliminate duplicates Z: 9 18.401 2.007 0.919 0.859 0.875 0.875 CB 1.420 9 residues pruned to eliminate duplicates Z: 19 35.151 2.094 0.666 0.914 1.000 1.000 CA 1.679 19 residues pruned to eliminate duplicates Z: 40 65.672 2.325 0.726 0.873 1.000 0.744 CA 1.908 40 residues pruned to eliminate duplicates Z: 9 15.309 2.111 0.415 0.814 0.875 0.500 CA 1.576 9 residues pruned to eliminate duplicates Z: 35 66.542 2.243 1.030 0.927 0.971 0.794 CB 1.809 35 residues pruned to eliminate duplicates Z: 20 31.301 2.287 0.343 0.920 0.947 0.895 CB 1.737 20 residues pruned to eliminate duplicates Z: 18 34.889 2.279 0.627 0.918 0.941 0.882 C 1.709 18 residues pruned to eliminate duplicates Z: 15 21.954 2.135 0.147 0.925 1.000 0.929 CB 1.681 15 residues pruned to eliminate duplicates Z: 9 11.551 1.922 0.117 0.743 1.000 0.750 CB 1.531 9 residues pruned to eliminate duplicates Z: 13 14.170 2.054 0.303 0.753 0.750 0.500 CB 1.627 13 residues pruned to eliminate duplicates Z: 105 96.175 2.364 0.995 0.751 0.933 0.702 CB 1.715 105 residues pruned to eliminate duplicates Z: 16 25.085 2.052 0.557 0.857 0.933 0.667 CB 1.600 16 residues pruned to eliminate duplicates Z: 16 30.734 1.995 0.935 0.861 0.933 0.867 CB 1.618 16 residues pruned to eliminate duplicates Z: 94 95.017 2.339 0.921 0.768 0.957 0.753 CB 1.807 114 residues pruned to eliminate duplicates Z: 33 62.474 2.365 0.667 0.936 1.000 0.844 CA 1.951 33 residues pruned to eliminate duplicates Z: 58 45.828 2.155 0.906 0.497 0.930 0.614 CB 1.595 58 residues pruned to eliminate duplicates Z: 39 62.024 2.355 0.630 0.884 0.974 0.868 CB 1.945 39 residues pruned to eliminate duplicates Z: 40 71.637 2.311 1.009 0.894 0.949 0.615 CB 1.869 40 residues pruned to eliminate duplicates Z: 22 61.054 2.325 1.325 0.953 0.952 0.762 CB 1.781 22 residues pruned to eliminate duplicates Z: 17 26.480 2.080 0.436 0.868 1.000 0.750 CB 1.621 17 residues pruned to eliminate duplicates Z: 40 56.893 2.293 0.553 0.895 0.974 0.846 CB 1.882 40 residues pruned to eliminate duplicates Z: 31 41.007 2.076 0.709 0.885 0.933 0.633 CB 1.632 31 residues pruned to eliminate duplicates Z: 23 49.857 2.246 0.906 0.960 1.000 0.909 CB 1.701 23 residues pruned to eliminate duplicates Z: 40 69.281 2.326 0.798 0.888 1.000 0.769 CA 1.911 40 residues pruned to eliminate duplicates Z: 54 53.259 2.327 0.732 0.629 0.906 0.660 CB 1.775 54 residues pruned to eliminate duplicates Z: 19 42.024 2.233 0.834 0.889 0.944 0.833 CB 1.843 19 residues pruned to eliminate duplicates Z: 31 38.967 2.073 0.715 0.855 0.900 0.633 CB 1.641 31 residues pruned to eliminate duplicates Z: 21 39.619 2.201 0.719 0.864 1.000 0.900 CB 1.716 21 residues pruned to eliminate duplicates Z: 23 25.103 2.031 0.334 0.840 0.955 0.818 CB 1.544 Z: 49 56.316 2.305 0.970 0.636 0.896 0.729 CB 1.759 49 residues pruned to eliminate duplicates Z: 45 59.477 2.338 0.895 0.659 0.932 0.682 CB 1.874 45 residues pruned to eliminate duplicates Z: 8 23.149 2.301 0.690 0.881 1.000 0.857 CB 1.630 8 residues pruned to eliminate duplicates Z: 35 59.516 2.263 0.747 0.942 0.971 0.794 CB 1.845 35 residues pruned to eliminate duplicates Z: 25 40.861 2.285 0.543 0.881 0.917 0.833 CB 1.869 25 residues pruned to eliminate duplicates Z: 15 37.922 2.431 0.970 0.859 0.929 0.857 C 1.678 15 residues pruned to eliminate duplicates Z: 10 20.810 2.143 0.501 0.882 0.889 0.889 CB 1.755 10 residues pruned to eliminate duplicates Z: 11 14.211 1.835 0.353 0.800 1.000 0.600 C 1.393 10 residues pruned to eliminate duplicates Z: 40 64.296 2.284 0.779 0.910 0.974 0.846 C 1.845 40 residues pruned to eliminate duplicates Z: 35 62.697 2.308 0.815 0.909 0.971 0.735 CB 1.876 35 residues pruned to eliminate duplicates Z: 18 35.451 2.320 0.600 0.869 0.941 0.765 CB 1.797 18 residues pruned to eliminate duplicates Z: 29 38.742 2.253 0.708 0.661 0.893 0.714 C 1.835 29 residues pruned to eliminate duplicates Z: 23 50.291 2.448 0.966 0.908 0.955 0.909 CB 1.659 23 residues pruned to eliminate duplicates Z: 23 43.646 2.228 0.787 0.936 0.955 0.818 CB 1.705 23 residues pruned to eliminate duplicates Z: 24 25.247 2.046 0.327 0.874 0.957 0.870 CB 1.474 23 residues pruned to eliminate duplicates Z: 15 37.667 2.075 1.006 0.919 1.000 1.000 CB 1.704 15 residues pruned to eliminate duplicates Z: 40 63.192 2.308 0.666 0.881 1.000 0.692 CA 1.907 40 residues pruned to eliminate duplicates Z: 19 42.279 2.388 0.698 0.907 1.000 0.833 CB 1.746 19 residues pruned to eliminate duplicates Z: 18 39.217 2.345 0.592 0.885 1.000 0.706 CB 1.840 18 residues pruned to eliminate duplicates Z: 19 34.199 2.121 0.782 0.863 0.944 0.556 C 1.656 19 residues pruned to eliminate duplicates Z: 24 50.227 2.292 1.022 0.924 0.957 0.826 CB 1.658 24 residues pruned to eliminate duplicates Z: 7 23.894 2.368 0.575 0.895 1.000 1.000 C 1.875 9 residues pruned to eliminate duplicates Z: 41 69.530 2.300 0.995 0.870 0.950 0.725 C 1.842 41 residues pruned to eliminate duplicates Z: 9 17.078 2.039 0.466 0.868 1.000 0.750 CB 1.476 9 residues pruned to eliminate duplicates Z: 20 30.255 2.251 0.629 0.834 0.895 0.737 CB 1.586 20 residues pruned to eliminate duplicates Z: 25 21.224 2.046 0.726 0.451 0.875 0.625 CB 1.474 Z: 35 47.087 2.226 0.439 0.922 0.971 0.971 CA 1.827 35 residues pruned to eliminate duplicates Z: 20 33.134 2.149 0.568 0.872 1.000 0.737 CB 1.645 20 residues pruned to eliminate duplicates Z: 21 39.830 2.124 0.750 0.865 1.000 0.600 CB 1.756 21 residues pruned to eliminate duplicates Z: 39 53.007 2.335 0.446 0.906 0.974 0.921 CB 1.860 39 residues pruned to eliminate duplicates Z: 9 7.506 2.041 0.297 0.311 0.875 0.500 CA 1.412 Z: 35 57.047 2.377 0.951 0.625 0.971 0.618 C 1.932 35 residues pruned to eliminate duplicates Z: 22 37.323 2.090 0.714 0.898 1.000 0.762 CB 1.626 22 residues pruned to eliminate duplicates Z: 25 48.661 2.303 0.702 0.873 0.958 0.667 CA 1.926 25 residues pruned to eliminate duplicates Z: 10 20.203 1.983 0.569 0.894 1.000 0.778 CB 1.553 10 residues pruned to eliminate duplicates Z: 24 53.163 2.200 1.085 0.939 1.000 0.870 CB 1.679 26 residues pruned to eliminate duplicates Z: 25 27.429 1.964 0.424 0.856 1.000 0.833 CB 1.476 25 residues pruned to eliminate duplicates Z: 20 42.690 2.217 0.817 0.872 1.000 0.842 CB 1.772 20 residues pruned to eliminate duplicates Z: 16 23.878 2.108 0.250 0.910 1.000 0.867 CB 1.660 16 residues pruned to eliminate duplicates Z: 21 41.517 2.242 0.722 0.854 0.950 0.800 CB 1.870 21 residues pruned to eliminate duplicates Z: 39 68.028 2.338 0.799 0.908 1.000 0.711 CB 1.863 39 residues pruned to eliminate duplicates Z: 9 17.286 2.037 0.671 0.866 0.875 0.875 CB 1.502 9 residues pruned to eliminate duplicates Z: 33 76.381 2.356 1.070 0.916 1.000 0.812 CB 1.955 33 residues pruned to eliminate duplicates Z: 20 33.820 2.303 0.686 0.872 0.947 0.737 CB 1.537 Z: 15 35.280 2.047 0.929 0.929 1.000 0.857 CB 1.671 15 residues pruned to eliminate duplicates Z: 41 71.948 2.310 0.918 0.884 1.000 0.725 C 1.855 41 residues pruned to eliminate duplicates Z: 113 100.697 2.356 0.886 0.747 0.973 0.643 CB 1.765 113 residues pruned to eliminate duplicates Z: 25 45.082 2.149 0.725 0.939 1.000 0.917 CB 1.724 25 residues pruned to eliminate duplicates Z: 19 40.314 2.445 0.498 0.872 1.000 0.889 CB 1.892 19 residues pruned to eliminate duplicates Z: 59 63.246 2.355 0.826 0.621 0.966 0.690 CB 1.783 59 residues pruned to eliminate duplicates Z: 13 19.931 1.884 0.388 0.909 1.000 0.917 CA 1.561 Z: 30 41.587 2.219 0.529 0.914 0.966 0.862 CB 1.666 30 residues pruned to eliminate duplicates Z: 15 29.459 2.181 0.490 0.899 1.000 0.857 CB 1.732 15 residues pruned to eliminate duplicates Z: 17 24.466 2.025 0.449 0.875 1.000 0.812 CB 1.516 17 residues pruned to eliminate duplicates Z: 18 36.460 2.258 0.753 0.912 0.941 0.882 C 1.680 18 residues pruned to eliminate duplicates Z: 11 11.414 1.963 0.817 0.391 0.800 0.400 CA 1.419 10 residues pruned to eliminate duplicates Z: 108 104.870 2.372 1.002 0.760 0.944 0.720 CB 1.794 108 residues pruned to eliminate duplicates Z: 21 45.055 2.276 0.783 0.911 1.000 0.800 CB 1.759 21 residues pruned to eliminate duplicates Z: 22 56.669 2.410 1.190 0.949 1.000 0.810 CB 1.617 25 residues pruned to eliminate duplicates Z: 33 23.777 1.929 0.620 0.596 0.969 0.656 CB 1.266 13 residues pruned to eliminate duplicates Z: 111 89.836 2.310 0.820 0.742 0.936 0.673 CB 1.752 129 residues pruned to eliminate duplicates Z: 8 18.658 2.173 0.435 0.895 1.000 0.857 CA 1.621 9 residues pruned to eliminate duplicates Z: 41 72.482 2.259 0.978 0.911 0.975 0.550 C 1.865 41 residues pruned to eliminate duplicates Z: 40 57.577 2.314 0.571 0.886 0.974 0.821 CB 1.879 40 residues pruned to eliminate duplicates Z: 18 44.701 2.387 0.841 0.911 1.000 0.765 CB 1.749 19 residues pruned to eliminate duplicates Z: 8 7.737 1.912 -0.048 0.681 1.000 0.571 CB 1.360 8 residues pruned to eliminate duplicates Z: 19 43.755 2.284 0.864 0.856 1.000 0.667 C 1.788 19 residues pruned to eliminate duplicates Z: 19 37.888 2.267 0.554 0.875 1.000 0.778 CA 1.844 19 residues pruned to eliminate duplicates Z: 39 66.281 2.310 0.768 0.907 0.974 0.711 CB 1.922 39 residues pruned to eliminate duplicates Z: 19 26.738 2.230 0.128 0.945 0.944 0.944 CA 1.836 19 residues pruned to eliminate duplicates Z: 17 39.826 2.373 0.739 0.815 1.000 0.688 CB 1.834 17 residues pruned to eliminate duplicates Z: 19 40.550 2.274 0.836 0.907 0.944 0.833 CB 1.723 Z: 35 55.553 2.263 0.729 0.931 1.000 0.941 CB 1.701 35 residues pruned to eliminate duplicates Z: 16 33.178 2.023 0.894 0.877 1.000 0.733 CB 1.624 16 residues pruned to eliminate duplicates Z: 25 42.311 2.274 0.678 0.813 0.917 0.750 CA 1.880 25 residues pruned to eliminate duplicates Z: 19 42.156 2.432 0.633 0.863 1.000 0.722 CB 1.836 18 residues pruned to eliminate duplicates Z: 38 47.192 2.322 0.260 0.894 1.000 0.946 CA 1.902 38 residues pruned to eliminate duplicates Z: 22 53.008 2.357 1.063 0.919 1.000 0.762 CB 1.677 22 residues pruned to eliminate duplicates Z: 36 66.848 2.246 0.983 0.917 1.000 0.886 CB 1.792 36 residues pruned to eliminate duplicates Z: 18 45.601 2.311 0.887 0.894 1.000 0.706 CB 1.820 18 residues pruned to eliminate duplicates Z: 21 36.488 2.229 0.677 0.869 0.950 0.700 CB 1.678 21 residues pruned to eliminate duplicates Z: 6 17.148 2.035 0.657 0.810 1.000 0.800 C 1.736 6 residues pruned to eliminate duplicates Z: 18 40.884 2.477 0.582 0.878 1.000 0.824 C 1.836 19 residues pruned to eliminate duplicates Z: 26 43.042 2.213 0.609 0.878 0.960 0.760 CB 1.827 25 residues pruned to eliminate duplicates Z: 19 40.443 2.386 0.684 0.894 1.000 0.778 CB 1.703 19 residues pruned to eliminate duplicates Z: 9 3.164 1.753 0.353 0.260 0.750 0.750 CB 0.828 9 residues pruned to eliminate duplicates Z: 25 27.297 1.966 0.542 0.875 0.958 0.792 CB 1.395 25 residues pruned to eliminate duplicates Z: 26 36.294 2.238 0.342 0.865 0.960 0.720 CA 1.845 26 residues pruned to eliminate duplicates Z: 40 72.412 2.323 0.936 0.891 1.000 0.718 C 1.855 40 residues pruned to eliminate duplicates Z: 19 27.802 1.982 0.525 0.894 1.000 0.833 CB 1.554 19 residues pruned to eliminate duplicates Z: 14 24.971 2.152 0.739 0.697 0.923 0.846 CB 1.675 8 residues pruned to eliminate duplicates Z: 24 39.460 2.167 0.691 0.917 0.957 0.870 CB 1.657 24 residues pruned to eliminate duplicates Z: 20 36.977 2.310 0.710 0.897 0.947 0.789 CB 1.623 20 residues pruned to eliminate duplicates Z: 9 13.446 2.005 0.531 0.749 0.875 0.375 CB 1.417 9 residues pruned to eliminate duplicates Z: 35 64.715 2.250 1.059 0.905 0.971 0.676 CB 1.756 35 residues pruned to eliminate duplicates Z: 7 6.243 1.967 0.078 0.579 0.833 0.333 CB 1.337 7 residues pruned to eliminate duplicates Z: 40 70.305 2.335 0.829 0.894 1.000 0.769 CB 1.891 40 residues pruned to eliminate duplicates Z: 16 38.777 2.319 0.596 0.923 1.000 0.800 CA 1.901 16 residues pruned to eliminate duplicates Z: 31 40.104 2.060 0.682 0.876 0.967 0.800 CB 1.588 31 residues pruned to eliminate duplicates Z: 35 50.261 2.331 0.501 0.917 0.971 0.912 CB 1.792 35 residues pruned to eliminate duplicates Z: 35 52.419 2.278 0.500 0.934 1.000 0.941 CB 1.834 35 residues pruned to eliminate duplicates Z: 31 38.731 2.072 0.672 0.882 0.933 0.733 CB 1.583 31 residues pruned to eliminate duplicates Z: 36 45.087 2.102 0.630 0.820 1.000 0.800 CB 1.686 37 residues pruned to eliminate duplicates Z: 33 61.955 2.286 0.716 0.949 1.000 0.969 CB 1.926 33 residues pruned to eliminate duplicates Z: 53 55.207 2.245 0.819 0.655 0.981 0.712 CB 1.654 54 residues pruned to eliminate duplicates Z: 16 23.322 2.000 0.396 0.882 1.000 0.867 CB 1.560 16 residues pruned to eliminate duplicates Z: 23 57.440 2.388 1.068 0.938 1.000 0.818 CB 1.724 22 residues pruned to eliminate duplicates Z: 16 28.459 2.096 0.503 0.891 1.000 0.867 CB 1.677 16 residues pruned to eliminate duplicates Z: 18 41.483 2.350 0.594 0.911 1.000 0.882 C 1.903 18 residues pruned to eliminate duplicates Z: 20 46.810 2.249 0.868 0.914 1.000 0.737 CB 1.809 20 residues pruned to eliminate duplicates Z: 20 42.861 2.230 0.883 0.895 0.947 0.632 CB 1.771 20 residues pruned to eliminate duplicates Z: 22 48.306 2.430 0.840 0.930 1.000 0.810 CB 1.649 22 residues pruned to eliminate duplicates Z: 22 61.320 2.429 1.271 0.949 1.000 0.905 CB 1.674 22 residues pruned to eliminate duplicates Z: 35 59.044 2.263 0.725 0.915 1.000 0.735 CB 1.833 35 residues pruned to eliminate duplicates Z: 8 18.889 2.127 0.598 0.840 1.000 0.714 CA 1.567 8 residues pruned to eliminate duplicates Z: 39 52.188 2.343 0.454 0.885 0.947 0.816 CA 1.894 39 residues pruned to eliminate duplicates Z: 8 21.918 2.146 0.642 0.873 1.000 0.857 C 1.711 8 residues pruned to eliminate duplicates Z: 19 30.096 2.173 0.438 0.901 0.944 0.833 C 1.716 19 residues pruned to eliminate duplicates Z: 7 7.922 2.075 -0.115 0.831 0.833 0.833 CB 1.587 7 residues pruned to eliminate duplicates Z: 23 49.720 2.349 0.992 0.945 1.000 0.909 CB 1.567 23 residues pruned to eliminate duplicates Z: 17 38.585 2.298 0.676 0.859 1.000 0.750 CB 1.843 17 residues pruned to eliminate duplicates Z: 7 7.618 2.014 -0.038 0.796 0.833 0.667 CB 1.485 7 residues pruned to eliminate duplicates Z: 40 60.815 2.313 0.662 0.883 0.974 0.846 CB 1.881 40 residues pruned to eliminate duplicates Z: 31 43.686 2.092 0.725 0.897 0.967 0.833 CB 1.637 31 residues pruned to eliminate duplicates Z: 9 12.325 2.278 -0.032 0.777 0.875 0.625 CB 1.768 9 residues pruned to eliminate duplicates Z: 9 9.411 1.853 0.263 0.690 0.875 0.375 CB 1.365 9 residues pruned to eliminate duplicates Z: 35 26.263 1.893 0.706 0.621 1.000 0.588 CB 1.245 34 residues pruned to eliminate duplicates Z: 37 68.985 2.348 0.916 0.918 0.944 0.833 CA 1.908 37 residues pruned to eliminate duplicates Z: 38 63.476 2.338 0.666 0.895 1.000 0.838 CB 1.920 38 residues pruned to eliminate duplicates Z: 17 18.264 2.110 0.322 0.696 0.875 0.562 CB 1.565 17 residues pruned to eliminate duplicates Z: 10 18.489 1.886 0.594 0.832 1.000 0.667 CB 1.539 10 residues pruned to eliminate duplicates Z: 42 59.867 2.415 0.731 0.703 0.951 0.659 CB 1.954 42 residues pruned to eliminate duplicates Z: 40 51.973 2.300 0.465 0.882 0.974 0.897 CB 1.835 40 residues pruned to eliminate duplicates Z: 8 6.550 1.935 -0.056 0.760 0.714 0.571 CA 1.505 8 residues pruned to eliminate duplicates Z: 40 57.941 2.305 0.555 0.877 1.000 0.897 CB 1.881 40 residues pruned to eliminate duplicates Z: 24 26.888 2.057 0.389 0.855 0.957 0.652 CB 1.514 24 residues pruned to eliminate duplicates Z: 14 15.341 1.903 0.910 0.528 0.846 0.615 CB 1.346 14 residues pruned to eliminate duplicates Z: 15 20.761 2.120 0.143 0.915 1.000 1.000 CA 1.618 15 residues pruned to eliminate duplicates Z: 17 25.508 2.078 0.481 0.870 1.000 0.562 CB 1.512 17 residues pruned to eliminate duplicates Z: 24 50.935 2.278 0.996 0.946 1.000 0.913 CB 1.616 24 residues pruned to eliminate duplicates Z: 20 39.428 2.323 0.641 0.895 0.947 0.842 C 1.796 20 residues pruned to eliminate duplicates Z: 8 11.305 2.205 -0.074 0.815 1.000 0.714 CB 1.592 8 residues pruned to eliminate duplicates Z: 31 46.710 2.071 0.795 0.901 1.000 0.800 CB 1.637 31 residues pruned to eliminate duplicates Z: 19 48.971 2.370 0.930 0.889 0.944 0.778 C 1.923 19 residues pruned to eliminate duplicates Z: 21 48.670 2.275 0.993 0.857 0.950 0.700 CB 1.862 21 residues pruned to eliminate duplicates Z: 60 49.212 2.196 0.905 0.521 0.949 0.678 CB 1.581 60 residues pruned to eliminate duplicates Z: 23 56.178 2.309 1.318 0.923 1.000 0.818 CB 1.573 23 residues pruned to eliminate duplicates Z: 20 47.267 2.259 0.880 0.884 1.000 0.737 CB 1.845 20 residues pruned to eliminate duplicates Z: 25 26.039 2.005 0.362 0.846 0.958 0.750 CB 1.510 25 residues pruned to eliminate duplicates Z: 19 31.041 2.184 0.463 0.864 0.944 0.667 CA 1.778 19 residues pruned to eliminate duplicates Z: 25 20.242 2.037 0.680 0.462 0.875 0.667 CB 1.435 25 residues pruned to eliminate duplicates Z: 46 48.406 2.205 0.808 0.638 0.956 0.733 CB 1.664 46 residues pruned to eliminate duplicates Z: 35 60.689 2.288 0.718 0.925 1.000 0.882 CB 1.858 35 residues pruned to eliminate duplicates Z: 24 20.826 2.023 0.620 0.461 0.957 0.696 CB 1.441 25 residues pruned to eliminate duplicates Z: 16 32.895 2.171 0.589 0.901 1.000 0.867 CB 1.758 16 residues pruned to eliminate duplicates Z: 17 34.860 1.986 0.986 0.894 1.000 0.750 CB 1.585 17 residues pruned to eliminate duplicates Z: 18 30.764 2.264 0.420 0.893 0.941 0.765 C 1.770 18 residues pruned to eliminate duplicates Z: 26 39.457 2.262 0.526 0.874 0.880 0.720 CA 1.890 26 residues pruned to eliminate duplicates Z: 19 25.768 2.136 0.287 0.898 0.944 0.944 CA 1.674 19 residues pruned to eliminate duplicates Z: 66 41.510 2.104 0.835 0.473 0.892 0.615 CB 1.535 57 residues pruned to eliminate duplicates Z: 21 56.226 2.332 1.065 0.962 1.000 0.800 CB 1.786 21 residues pruned to eliminate duplicates Z: 35 57.469 2.298 0.704 0.932 0.971 0.882 CB 1.811 35 residues pruned to eliminate duplicates Z: 20 42.249 2.201 0.780 0.879 1.000 0.789 CA 1.794 20 residues pruned to eliminate duplicates Z: 26 39.527 2.191 0.759 0.728 0.920 0.800 CB 1.816 26 residues pruned to eliminate duplicates Z: 25 38.904 2.247 0.476 0.863 0.958 0.750 CA 1.834 25 residues pruned to eliminate duplicates Z: 31 44.985 2.050 0.888 0.859 0.967 0.867 CB 1.615 31 residues pruned to eliminate duplicates Z: 83 76.846 2.229 0.888 0.708 0.951 0.707 CB 1.756 83 residues pruned to eliminate duplicates Z: 23 59.358 2.309 1.422 0.940 1.000 0.455 CB 1.571 23 residues pruned to eliminate duplicates Z: 41 69.953 2.245 0.993 0.898 0.950 0.525 C 1.862 41 residues pruned to eliminate duplicates Z: 13 20.956 1.934 0.508 0.923 1.000 0.917 CB 1.458 13 residues pruned to eliminate duplicates Z: 12 21.790 1.962 0.539 0.920 1.000 0.909 CB 1.533 12 residues pruned to eliminate duplicates Z: 31 40.626 2.084 0.599 0.887 1.000 0.800 CB 1.606 31 residues pruned to eliminate duplicates Z: 10 16.495 2.043 0.494 0.767 1.000 0.889 CB 1.422 9 residues pruned to eliminate duplicates Z: 21 36.094 2.133 0.671 0.888 0.950 0.850 CB 1.717 21 residues pruned to eliminate duplicates Z: 41 59.519 2.257 0.756 0.866 0.950 0.700 CA 1.830 41 residues pruned to eliminate duplicates Z: 48 59.873 2.329 0.922 0.630 0.979 0.660 CB 1.763 48 residues pruned to eliminate duplicates Z: 17 28.010 2.092 0.520 0.873 1.000 0.750 CB 1.603 17 residues pruned to eliminate duplicates Z: 9 14.027 1.918 0.515 0.752 0.875 0.500 C 1.558 9 residues pruned to eliminate duplicates Z: 24 27.170 2.045 0.398 0.867 0.957 0.913 CB 1.515 24 residues pruned to eliminate duplicates Z: 17 23.332 2.076 0.270 0.903 1.000 0.938 CB 1.576 17 residues pruned to eliminate duplicates Z: 152 113.904 2.333 0.899 0.723 0.967 0.715 CB 1.769 152 residues pruned to eliminate duplicates Z: 24 37.469 2.240 0.649 0.933 0.957 0.870 CB 1.543 24 residues pruned to eliminate duplicates Z: 10 12.998 1.922 0.341 0.852 0.889 0.556 C 1.398 10 residues pruned to eliminate duplicates Z: 39 51.006 2.318 0.382 0.905 1.000 0.895 CB 1.839 39 residues pruned to eliminate duplicates Z: 35 25.941 2.208 0.384 0.533 0.971 0.559 CB 1.452 35 residues pruned to eliminate duplicates Z: 22 37.851 2.026 0.813 0.902 1.000 0.571 CB 1.605 22 residues pruned to eliminate duplicates Z: 14 19.937 2.092 0.249 0.907 0.923 0.923 CA 1.630 14 residues pruned to eliminate duplicates Z: 33 51.591 2.309 0.448 0.942 1.000 0.938 CB 1.890 33 residues pruned to eliminate duplicates Z: 35 54.872 2.289 0.620 0.909 0.971 0.882 CB 1.857 35 residues pruned to eliminate duplicates Z: 9 17.131 1.949 0.593 0.792 1.000 0.625 CA 1.511 9 residues pruned to eliminate duplicates Z: 6 9.974 2.044 0.349 0.877 1.000 0.800 CB 1.174 Z: 40 55.904 2.312 0.535 0.878 0.974 0.718 CA 1.879 40 residues pruned to eliminate duplicates Z: 54 44.697 2.144 0.688 0.604 0.887 0.642 CB 1.732 54 residues pruned to eliminate duplicates Z: 10 9.353 1.815 0.379 0.540 1.000 0.444 CA 1.197 Z: 37 40.530 2.229 0.598 0.695 0.889 0.778 C 1.786 34 residues pruned to eliminate duplicates Z: 8 19.433 2.176 0.656 0.821 0.857 0.857 C 1.800 8 residues pruned to eliminate duplicates Z: 24 22.096 2.220 0.613 0.464 0.870 0.565 CB 1.536 24 residues pruned to eliminate duplicates Z: 19 34.028 2.269 0.559 0.819 0.944 0.778 CA 1.821 19 residues pruned to eliminate duplicates Z: 26 41.164 2.204 0.563 0.871 0.960 0.840 CB 1.816 26 residues pruned to eliminate duplicates Z: 12 18.636 1.987 0.255 0.903 1.000 1.000 CB 1.605 12 residues pruned to eliminate duplicates Z: 22 20.438 2.007 0.228 0.826 0.905 0.667 CB 1.508 22 residues pruned to eliminate duplicates Z: 103 63.550 2.198 0.818 0.533 0.951 0.598 CB 1.604 103 residues pruned to eliminate duplicates Z: 40 75.007 2.316 1.056 0.909 0.974 0.744 CB 1.838 40 residues pruned to eliminate duplicates Z: 157 82.764 2.255 0.717 0.605 0.949 0.750 CB 1.633 162 residues pruned to eliminate duplicates Z: 10 10.669 1.927 0.278 0.773 0.778 0.444 CA 1.459 10 residues pruned to eliminate duplicates Z: 23 56.989 2.216 1.133 0.941 1.000 0.682 C 1.784 27 residues pruned to eliminate duplicates Z: 18 40.858 2.312 0.801 0.886 0.941 0.824 CB 1.824 18 residues pruned to eliminate duplicates Z: 22 22.006 2.123 0.297 0.736 0.810 0.571 CB 1.743 22 residues pruned to eliminate duplicates Z: 26 28.226 2.145 0.651 0.479 0.960 0.600 CB 1.697 26 residues pruned to eliminate duplicates Z: 54 50.445 2.206 0.715 0.658 0.962 0.736 CB 1.644 54 residues pruned to eliminate duplicates Z: 43 56.923 2.362 0.747 0.643 0.976 0.690 CB 1.908 43 residues pruned to eliminate duplicates Z: 25 38.953 2.317 0.406 0.852 0.958 0.833 C 1.883 25 residues pruned to eliminate duplicates Z: 29 31.737 2.202 0.596 0.589 0.857 0.643 C 1.828 29 residues pruned to eliminate duplicates Z: 9 18.843 2.082 0.495 0.851 1.000 0.875 CA 1.585 14 residues pruned to eliminate duplicates Z: 20 39.994 2.219 0.785 0.900 0.947 0.947 CB 1.745 20 residues pruned to eliminate duplicates Z: 17 28.846 2.308 0.501 0.848 0.938 0.625 CB 1.646 17 residues pruned to eliminate duplicates Z: 32 45.234 2.297 0.341 0.936 1.000 0.968 CA 1.838 32 residues pruned to eliminate duplicates Z: 41 68.048 2.271 0.882 0.903 0.975 0.675 C 1.839 41 residues pruned to eliminate duplicates Z: 13 23.103 1.938 0.730 0.907 0.917 0.750 CA 1.541 13 residues pruned to eliminate duplicates Z: 15 19.985 1.876 0.356 0.902 1.000 0.929 C 1.497 15 residues pruned to eliminate duplicates Z: 6 5.242 1.798 0.228 0.487 0.800 0.800 C 1.344 6 residues pruned to eliminate duplicates Z: 37 45.598 2.146 0.901 0.667 0.972 0.722 CB 1.641 37 residues pruned to eliminate duplicates Z: 13 20.878 2.102 0.472 0.792 0.917 0.833 CB 1.646 13 residues pruned to eliminate duplicates Z: 82 67.406 2.192 0.728 0.703 0.938 0.716 CB 1.751 82 residues pruned to eliminate duplicates Z: 8 10.735 1.926 0.081 0.870 1.000 0.857 CA 1.423 8 residues pruned to eliminate duplicates Z: 19 43.879 2.241 0.946 0.917 1.000 0.889 CB 1.674 19 residues pruned to eliminate duplicates Z: 13 24.377 1.932 0.796 0.904 0.917 0.750 CA 1.575 13 residues pruned to eliminate duplicates Z: 31 42.934 2.039 0.762 0.890 1.000 0.667 CB 1.570 31 residues pruned to eliminate duplicates Z: 45 33.409 2.122 0.500 0.580 0.909 0.659 CB 1.611 45 residues pruned to eliminate duplicates Z: 35 61.711 2.287 0.835 0.920 0.971 0.765 CB 1.830 35 residues pruned to eliminate duplicates Z: 7 16.220 2.163 0.349 0.848 1.000 0.833 CA 1.684 7 residues pruned to eliminate duplicates Z: 31 34.914 2.043 0.600 0.854 0.933 0.700 CB 1.543 31 residues pruned to eliminate duplicates Z: 40 58.910 2.316 0.654 0.842 0.974 0.795 CB 1.884 40 residues pruned to eliminate duplicates Z: 43 44.003 2.180 0.760 0.659 0.905 0.690 CB 1.687 43 residues pruned to eliminate duplicates Z: 8 13.996 2.088 0.484 0.814 0.857 0.857 C 1.515 8 residues pruned to eliminate duplicates Z: 39 48.779 2.305 0.409 0.894 0.974 0.868 CB 1.795 39 residues pruned to eliminate duplicates Z: 12 15.910 2.031 0.242 0.886 1.000 0.818 CB 1.372 12 residues pruned to eliminate duplicates Z: 109 98.260 2.377 0.830 0.753 0.963 0.750 CB 1.801 109 residues pruned to eliminate duplicates Z: 31 37.037 2.032 0.725 0.873 0.900 0.733 CB 1.562 31 residues pruned to eliminate duplicates Z: 31 38.149 2.048 0.668 0.889 0.900 0.633 CB 1.631 31 residues pruned to eliminate duplicates Z: 18 23.812 2.048 0.500 0.838 0.882 0.706 CB 1.593 18 residues pruned to eliminate duplicates Z: 15 13.608 1.909 0.739 0.605 0.786 0.643 CB 1.262 15 residues pruned to eliminate duplicates Z: 25 23.169 2.019 0.176 0.900 0.958 0.792 CB 1.485 25 residues pruned to eliminate duplicates Z: 18 34.761 2.174 0.627 0.889 1.000 0.706 CB 1.716 18 residues pruned to eliminate duplicates Z: 13 30.329 2.147 1.122 0.891 0.917 0.583 C 1.507 13 residues pruned to eliminate duplicates Z: 12 30.315 2.257 1.017 0.886 0.818 0.818 CA 1.770 12 residues pruned to eliminate duplicates Z: 44 61.819 2.351 0.887 0.670 0.953 0.744 CB 1.905 44 residues pruned to eliminate duplicates Z: 12 14.995 2.140 0.157 0.796 0.909 0.364 CB 1.550 12 residues pruned to eliminate duplicates Z: 23 54.034 2.319 1.082 0.940 0.955 0.909 CB 1.736 23 residues pruned to eliminate duplicates Z: 6 6.701 1.555 0.229 0.812 1.000 0.600 C 1.195 6 residues pruned to eliminate duplicates Z: 12 17.890 2.010 0.402 0.908 0.909 0.909 CB 1.495 12 residues pruned to eliminate duplicates Z: 18 29.280 2.211 0.463 0.896 1.000 0.941 CB 1.573 18 residues pruned to eliminate duplicates Z: 26 41.841 2.221 0.705 0.851 0.920 0.720 C 1.777 26 residues pruned to eliminate duplicates Z: 129 100.041 2.366 0.819 0.683 0.961 0.625 CB 1.807 129 residues pruned to eliminate duplicates Z: 25 21.092 1.985 0.552 0.501 0.958 0.708 CB 1.456 25 residues pruned to eliminate duplicates Z: 19 40.019 2.344 0.681 0.881 1.000 0.722 C 1.733 19 residues pruned to eliminate duplicates Z: 9 6.947 1.725 -0.050 0.753 1.000 0.750 CB 1.197 9 residues pruned to eliminate duplicates Z: 65 44.564 2.143 0.819 0.496 0.922 0.625 CB 1.556 65 residues pruned to eliminate duplicates Z: 18 38.446 2.444 0.486 0.878 1.000 0.765 C 1.863 18 residues pruned to eliminate duplicates Z: 12 25.013 2.002 0.639 0.908 1.000 0.909 CB 1.633 12 residues pruned to eliminate duplicates Z: 25 50.193 2.273 0.689 0.902 1.000 0.875 C 1.904 27 residues pruned to eliminate duplicates Z: 31 55.883 2.362 0.976 0.681 1.000 0.667 CB 1.851 33 residues pruned to eliminate duplicates Z: 24 24.734 2.036 0.294 0.864 0.913 0.826 CB 1.573 24 residues pruned to eliminate duplicates Z: 34 40.164 2.233 0.663 0.643 1.000 0.697 CB 1.647 34 residues pruned to eliminate duplicates Z: 37 59.745 2.399 0.926 0.682 0.944 0.722 CB 1.930 37 residues pruned to eliminate duplicates Z: 168 91.625 2.305 0.682 0.666 0.928 0.731 CB 1.689 168 residues pruned to eliminate duplicates Z: 16 31.979 2.023 0.875 0.891 0.933 0.733 CB 1.676 16 residues pruned to eliminate duplicates Z: 23 27.960 2.019 0.401 0.882 1.000 0.864 CB 1.525 23 residues pruned to eliminate duplicates Z: 13 13.996 1.736 0.314 0.845 1.000 0.833 CB 1.317 13 residues pruned to eliminate duplicates Z: 29 39.153 2.214 1.075 0.567 0.929 0.536 CB 1.626 29 residues pruned to eliminate duplicates Z: 13 8.858 1.974 0.351 0.360 0.667 0.333 CB 1.673 6 residues pruned to eliminate duplicates Z: 20 52.084 2.277 1.170 0.854 0.947 0.632 C 1.885 20 residues pruned to eliminate duplicates Z: 24 36.424 1.986 0.756 0.899 0.957 0.739 CB 1.626 24 residues pruned to eliminate duplicates Z: 9 13.355 1.862 0.513 0.698 1.000 0.875 C 1.399 9 residues pruned to eliminate duplicates Z: 22 61.643 2.378 1.324 0.944 1.000 0.810 CB 1.686 22 residues pruned to eliminate duplicates Z: 22 54.584 2.328 0.961 0.868 1.000 0.810 CB 1.908 22 residues pruned to eliminate duplicates Z: 32 55.307 2.333 0.576 0.949 1.000 0.903 CA 1.866 32 residues pruned to eliminate duplicates Z: 7 7.078 2.057 0.549 0.515 0.833 0.667 CB 1.072 7 residues pruned to eliminate duplicates Z: 8 8.070 1.885 0.066 0.767 1.000 0.714 C 1.198 8 residues pruned to eliminate duplicates Z: 12 18.395 2.114 0.344 0.885 0.909 0.727 C 1.551 12 residues pruned to eliminate duplicates Z: 7 10.065 1.966 0.371 0.801 0.833 0.500 CA 1.407 7 residues pruned to eliminate duplicates Z: 7 11.979 2.138 0.123 0.756 1.000 0.667 CB 1.622 7 residues pruned to eliminate duplicates Z: 18 40.630 2.159 1.098 0.922 0.882 0.706 CB 1.734 18 residues pruned to eliminate duplicates Z: 30 53.141 2.102 1.003 0.897 1.000 0.724 CB 1.678 30 residues pruned to eliminate duplicates Z: 13 12.976 1.884 0.487 0.585 0.833 0.667 CA 1.478 12 residues pruned to eliminate duplicates Z: 74 64.428 2.338 0.502 0.753 0.932 0.795 CB 1.840 74 residues pruned to eliminate duplicates Z: 23 54.385 2.239 0.978 0.958 1.000 0.909 C 1.796 23 residues pruned to eliminate duplicates Z: 24 55.723 2.192 1.251 0.929 0.957 0.913 C 1.722 24 residues pruned to eliminate duplicates Z: 40 54.134 2.327 0.445 0.901 0.974 0.897 CB 1.889 40 residues pruned to eliminate duplicates Z: 7 9.017 1.848 0.341 0.574 1.000 0.833 CB 1.383 Z: 77 54.357 2.197 0.897 0.535 0.934 0.684 CB 1.548 77 residues pruned to eliminate duplicates Z: 20 41.642 2.201 0.860 0.936 1.000 0.737 C 1.625 20 residues pruned to eliminate duplicates Z: 37 43.156 2.166 0.950 0.644 0.944 0.722 CB 1.576 37 residues pruned to eliminate duplicates Z: 24 23.661 2.044 0.221 0.858 0.957 0.957 CB 1.522 24 residues pruned to eliminate duplicates Z: 69 91.549 2.343 1.089 0.807 0.971 0.691 CB 1.787 69 residues pruned to eliminate duplicates Z: 26 15.646 1.790 0.669 0.408 0.960 0.600 CB 1.201 26 residues pruned to eliminate duplicates Z: 18 12.165 1.966 0.338 0.478 0.882 0.353 CB 1.300 18 residues pruned to eliminate duplicates Z: 6 3.488 1.279 0.252 0.800 1.000 1.000 CB 0.749 6 residues pruned to eliminate duplicates Z: 73 45.051 2.115 0.889 0.467 0.917 0.611 CB 1.499 73 residues pruned to eliminate duplicates Z: 21 15.973 2.118 0.324 0.486 0.800 0.650 CB 1.615 21 residues pruned to eliminate duplicates Z: 19 36.568 2.183 0.680 0.879 0.944 0.833 CB 1.805 19 residues pruned to eliminate duplicates Z: 10 5.601 1.643 0.174 0.373 0.889 0.556 CB 1.248 8 residues pruned to eliminate duplicates Z: 11 14.664 1.724 0.567 0.910 1.000 0.600 CB 1.217 11 residues pruned to eliminate duplicates Z: 30 44.774 2.281 0.858 0.639 0.966 0.724 CB 1.784 30 residues pruned to eliminate duplicates Z: 31 30.431 2.020 0.458 0.880 0.933 0.833 CB 1.465 31 residues pruned to eliminate duplicates Z: 61 52.870 2.167 0.973 0.571 0.983 0.667 CB 1.516 61 residues pruned to eliminate duplicates Z: 14 28.622 2.019 0.710 0.939 1.000 0.923 CB 1.597 14 residues pruned to eliminate duplicates Z: 25 25.256 2.019 0.392 0.855 0.958 0.833 CB 1.413 25 residues pruned to eliminate duplicates Z: 64 70.300 2.335 0.730 0.807 0.937 0.762 CB 1.791 64 residues pruned to eliminate duplicates Z: 24 25.708 2.031 0.372 0.856 0.957 0.696 CB 1.483 24 residues pruned to eliminate duplicates Z: 16 31.239 2.150 0.748 0.862 1.000 0.733 CB 1.576 16 residues pruned to eliminate duplicates Z: 13 23.824 1.935 0.582 0.916 1.000 1.000 CB 1.586 13 residues pruned to eliminate duplicates Z: 19 36.573 2.235 0.798 0.847 0.944 0.556 CB 1.686 19 residues pruned to eliminate duplicates Z: 16 49.505 2.397 0.892 0.943 1.000 0.933 CB 1.953 16 residues pruned to eliminate duplicates Z: 33 19.915 1.870 0.672 0.513 0.906 0.531 CB 1.227 33 residues pruned to eliminate duplicates Z: 20 22.074 2.069 0.627 0.530 0.947 0.684 CB 1.542 20 residues pruned to eliminate duplicates Z: 8 6.174 1.733 0.087 0.655 1.000 0.571 CB 1.072 7 residues pruned to eliminate duplicates Z: 6 12.520 1.966 0.712 0.778 1.000 0.400 CB 1.301 6 residues pruned to eliminate duplicates Z: 7 8.402 1.648 0.520 0.773 1.000 0.833 CB 1.076 Z: 39 58.262 2.285 0.639 0.928 1.000 0.842 CB 1.769 39 residues pruned to eliminate duplicates Z: 22 55.097 2.403 1.050 0.944 1.000 0.857 CB 1.690 22 residues pruned to eliminate duplicates Z: 23 63.962 2.388 1.355 0.930 1.000 0.864 CB 1.695 23 residues pruned to eliminate duplicates Z: 31 36.391 2.066 0.554 0.838 0.967 0.633 CB 1.600 31 residues pruned to eliminate duplicates Z: 24 52.365 2.197 0.973 0.934 1.000 0.957 C 1.756 24 residues pruned to eliminate duplicates Z: 23 51.771 2.342 1.151 0.940 1.000 0.864 CB 1.522 23 residues pruned to eliminate duplicates Z: 13 14.000 1.579 0.648 0.906 1.000 0.750 CB 1.105 13 residues pruned to eliminate duplicates Z: 7 19.796 2.229 0.518 0.875 1.000 0.833 CA 1.738 7 residues pruned to eliminate duplicates Z: 41 72.541 2.305 0.925 0.899 1.000 0.600 C 1.848 41 residues pruned to eliminate duplicates Z: 15 25.798 2.146 0.398 0.883 1.000 0.929 CB 1.662 15 residues pruned to eliminate duplicates Z: 16 28.789 1.996 0.674 0.880 1.000 0.600 CB 1.612 16 residues pruned to eliminate duplicates Z: 15 29.053 2.172 0.985 0.913 0.857 0.714 CB 1.487 15 residues pruned to eliminate duplicates Z: 105 69.373 2.242 0.875 0.573 0.942 0.663 CB 1.600 105 residues pruned to eliminate duplicates Z: 24 21.128 1.961 0.652 0.468 0.957 0.609 CB 1.469 24 residues pruned to eliminate duplicates Z: 20 39.116 2.189 0.781 0.833 0.947 0.789 C 1.823 20 residues pruned to eliminate duplicates Z: 26 25.579 1.977 0.741 0.607 0.960 0.640 CB 1.398 26 residues pruned to eliminate duplicates Z: 13 23.210 2.124 1.260 0.468 0.917 0.583 C 1.572 13 residues pruned to eliminate duplicates Z: 76 73.515 2.346 0.754 0.741 0.947 0.747 CB 1.756 76 residues pruned to eliminate duplicates Z: 151 79.982 2.256 0.631 0.630 0.947 0.693 CB 1.660 151 residues pruned to eliminate duplicates Z: 17 9.902 1.801 0.307 0.387 0.938 0.625 CB 1.265 7 residues pruned to eliminate duplicates Z: 22 54.614 2.254 1.194 0.947 1.000 0.762 CB 1.666 22 residues pruned to eliminate duplicates Z: 16 36.746 2.328 0.806 0.871 0.933 0.733 C 1.763 16 residues pruned to eliminate duplicates Z: 12 13.707 1.794 0.157 0.901 1.000 0.909 CA 1.422 12 residues pruned to eliminate duplicates Z: 17 20.771 1.996 0.257 0.898 1.000 0.938 CB 1.480 17 residues pruned to eliminate duplicates Z: 23 28.858 1.995 0.637 0.839 0.955 0.682 CB 1.475 29 residues pruned to eliminate duplicates Z: 24 22.528 2.013 0.224 0.848 0.957 0.870 CB 1.479 24 residues pruned to eliminate duplicates Z: 22 42.727 2.200 0.707 0.950 1.000 1.000 CB 1.712 22 residues pruned to eliminate duplicates Z: 7 10.105 2.063 0.332 0.777 0.833 0.833 CA 1.410 7 residues pruned to eliminate duplicates Z: 25 25.058 1.985 0.474 0.848 0.958 0.708 CB 1.353 25 residues pruned to eliminate duplicates Z: 19 36.528 2.285 0.677 0.878 0.944 0.722 C 1.726 19 residues pruned to eliminate duplicates Z: 7 10.843 2.073 0.009 0.834 1.000 0.500 CB 1.585 7 residues pruned to eliminate duplicates Z: 24 41.272 2.249 0.773 0.896 1.000 0.913 CB 1.545 24 residues pruned to eliminate duplicates Z: 54 56.214 2.363 0.739 0.623 0.906 0.698 CB 1.847 54 residues pruned to eliminate duplicates Z: 8 6.451 1.993 0.631 0.457 0.714 0.571 CB 1.097 8 residues pruned to eliminate duplicates Z: 29 29.244 2.090 0.850 0.424 0.929 0.750 CB 1.667 29 residues pruned to eliminate duplicates Z: 99 101.327 2.409 0.970 0.785 0.939 0.786 CB 1.788 99 residues pruned to eliminate duplicates Z: 14 24.264 2.036 0.461 0.857 1.000 0.923 CB 1.667 14 residues pruned to eliminate duplicates Z: 19 42.911 2.450 0.584 0.882 1.000 0.833 CB 1.887 19 residues pruned to eliminate duplicates Z: 21 26.403 2.205 0.242 0.939 1.000 0.950 CB 1.499 21 residues pruned to eliminate duplicates Z: 27 21.999 1.945 0.702 0.618 0.885 0.615 CB 1.317 27 residues pruned to eliminate duplicates Z: 7 5.971 1.637 0.170 0.869 1.000 0.833 CB 0.929 7 residues pruned to eliminate duplicates Z: 18 42.427 2.283 0.838 0.904 1.000 0.588 CB 1.747 18 residues pruned to eliminate duplicates Z: 22 68.594 2.401 1.493 0.963 1.000 0.905 CB 1.709 22 residues pruned to eliminate duplicates Z: 18 11.745 2.014 0.360 0.397 0.824 0.529 CB 1.409 21 residues pruned to eliminate duplicates Z: 40 54.558 2.308 0.502 0.856 1.000 0.821 CB 1.859 40 residues pruned to eliminate duplicates Z: 20 28.163 2.275 0.299 0.889 1.000 0.842 CB 1.575 20 residues pruned to eliminate duplicates Z: 16 24.093 2.057 0.404 0.874 1.000 0.933 CB 1.567 16 residues pruned to eliminate duplicates Z: 10 14.228 1.674 0.681 0.744 1.000 0.778 CB 1.355 Z: 8 6.615 1.817 0.122 0.749 1.000 0.571 CB 0.982 8 residues pruned to eliminate duplicates Z: 18 35.145 2.278 0.590 0.827 0.941 0.647 CB 1.885 18 residues pruned to eliminate duplicates Z: 77 74.564 2.313 0.892 0.734 0.908 0.645 CB 1.745 77 residues pruned to eliminate duplicates Z: 43 58.924 2.342 0.850 0.692 0.952 0.738 CB 1.848 43 residues pruned to eliminate duplicates Z: 10 15.884 1.782 0.468 0.905 1.000 0.889 CB 1.441 10 residues pruned to eliminate duplicates Z: 52 74.578 2.292 0.898 0.775 1.000 0.725 CB 1.883 52 residues pruned to eliminate duplicates Z: 25 26.859 1.999 0.561 0.826 0.958 0.625 CB 1.382 25 residues pruned to eliminate duplicates Z: 25 26.066 2.018 0.291 0.875 0.958 0.875 CB 1.549 24 residues pruned to eliminate duplicates Z: 14 30.848 2.164 0.649 0.909 1.000 1.000 CB 1.702 14 residues pruned to eliminate duplicates Z: 43 39.716 2.168 0.639 0.633 0.881 0.619 C 1.729 43 residues pruned to eliminate duplicates Z: 20 29.826 2.167 0.762 0.653 0.842 0.737 C 1.846 20 residues pruned to eliminate duplicates Z: 8 18.038 2.136 0.550 0.878 1.000 1.000 CB 1.494 8 residues pruned to eliminate duplicates Z: 16 39.272 2.019 1.175 0.890 1.000 0.867 CB 1.661 16 residues pruned to eliminate duplicates Z: 12 14.460 1.679 0.541 0.899 1.000 0.636 CB 1.204 12 residues pruned to eliminate duplicates Z: 6 6.315 2.071 0.549 0.466 0.800 0.400 CB 1.139 6 residues pruned to eliminate duplicates Z: 31 38.750 2.062 0.697 0.877 0.933 0.767 CB 1.573 31 residues pruned to eliminate duplicates Z: 42 31.976 2.039 0.776 0.539 0.878 0.610 CB 1.511 40 residues pruned to eliminate duplicates Z: 16 17.288 2.075 0.497 0.614 0.933 0.467 CB 1.382 16 residues pruned to eliminate duplicates Z: 14 26.045 2.315 0.307 0.934 1.000 1.000 C 1.664 14 residues pruned to eliminate duplicates Z: 25 24.662 2.007 0.281 0.873 1.000 0.833 CB 1.426 25 residues pruned to eliminate duplicates Z: 17 40.522 2.277 1.018 0.838 0.938 0.812 CB 1.758 17 residues pruned to eliminate duplicates Z: 223 115.606 2.307 0.844 0.633 0.941 0.698 CB 1.710 223 residues pruned to eliminate duplicates Z: 19 29.751 2.109 0.366 0.888 1.000 0.889 CB 1.754 19 residues pruned to eliminate duplicates Z: 12 13.931 1.681 0.483 0.927 1.000 0.636 CB 1.180 12 residues pruned to eliminate duplicates Z: 18 33.449 2.350 0.309 0.880 1.000 0.647 CB 1.911 18 residues pruned to eliminate duplicates Z: 7 7.206 1.921 -0.219 0.881 1.000 1.000 CB 1.419 7 residues pruned to eliminate duplicates Z: 8 10.814 1.875 0.391 0.805 0.857 0.571 CB 1.400 Z: 15 21.390 2.244 0.585 0.610 0.929 0.714 CB 1.559 15 residues pruned to eliminate duplicates Z: 178 95.974 2.297 0.749 0.641 0.949 0.740 CB 1.659 178 residues pruned to eliminate duplicates Z: 10 6.098 1.853 0.788 0.436 0.778 0.667 CB 0.843 10 residues pruned to eliminate duplicates Z: 37 35.966 2.008 0.510 0.794 0.944 0.806 CB 1.619 37 residues pruned to eliminate duplicates Z: 19 32.014 2.231 0.841 0.578 0.944 0.778 C 1.804 19 residues pruned to eliminate duplicates Z: 38 65.483 2.282 0.813 0.889 1.000 0.811 CB 1.873 38 residues pruned to eliminate duplicates Z: 54 50.456 2.154 0.931 0.558 0.962 0.698 CB 1.637 54 residues pruned to eliminate duplicates Z: 34 75.283 2.276 1.294 0.951 0.970 0.576 CB 1.783 34 residues pruned to eliminate duplicates Z: 19 38.417 2.396 0.655 0.860 0.944 0.611 CB 1.778 19 residues pruned to eliminate duplicates Z: 12 33.768 2.268 0.979 0.936 1.000 0.909 C 1.579 12 residues pruned to eliminate duplicates Z: 31 39.934 2.064 0.708 0.900 0.933 0.800 CB 1.582 31 residues pruned to eliminate duplicates Z: 7 29.460 2.424 0.862 0.828 1.000 0.667 CA 2.007 7 residues pruned to eliminate duplicates Z: 72 53.204 2.145 0.694 0.651 0.972 0.761 CB 1.554 72 residues pruned to eliminate duplicates Z: 7 9.199 1.979 0.193 0.830 0.833 0.667 CB 1.436 7 residues pruned to eliminate duplicates Z: 10 9.112 1.973 0.354 0.372 0.889 0.667 CB 1.467 9 residues pruned to eliminate duplicates Z: 12 17.166 1.795 0.433 0.914 1.000 0.727 CA 1.423 12 residues pruned to eliminate duplicates Z: 72 76.920 2.257 0.930 0.780 0.944 0.761 CB 1.735 72 residues pruned to eliminate duplicates Z: 10 7.955 1.694 0.635 0.384 1.000 0.778 CB 1.083 10 residues pruned to eliminate duplicates Z: 23 61.470 2.249 1.252 0.953 1.000 0.773 C 1.780 23 residues pruned to eliminate duplicates Z: 12 13.174 1.678 0.453 0.879 1.000 0.364 CB 1.181 12 residues pruned to eliminate duplicates Z: 66 63.263 2.334 0.880 0.700 0.908 0.677 CB 1.642 66 residues pruned to eliminate duplicates Z: 23 26.956 2.035 0.437 0.851 0.955 0.864 CB 1.524 23 residues pruned to eliminate duplicates Z: 8 8.542 1.983 -0.068 0.856 1.000 0.714 CB 1.289 8 residues pruned to eliminate duplicates Z: 21 11.350 1.815 0.378 0.391 0.900 0.600 CB 1.265 20 residues pruned to eliminate duplicates Z: 37 56.704 2.393 0.922 0.661 0.917 0.722 CB 1.930 37 residues pruned to eliminate duplicates Z: 28 43.075 2.316 0.690 0.737 0.926 0.741 C 1.848 28 residues pruned to eliminate duplicates Z: 34 30.579 2.201 0.637 0.480 0.909 0.667 CB 1.658 34 residues pruned to eliminate duplicates Z: 23 50.496 2.272 0.945 0.928 0.955 0.909 CB 1.787 23 residues pruned to eliminate duplicates Z: 8 19.220 2.054 0.834 0.788 1.000 0.571 CA 1.497 8 residues pruned to eliminate duplicates Z: 71 87.976 2.325 0.977 0.788 1.000 0.800 CB 1.777 71 residues pruned to eliminate duplicates Z: 55 43.807 2.158 0.614 0.608 0.963 0.685 CB 1.605 55 residues pruned to eliminate duplicates Z: 39 52.993 2.295 0.530 0.885 0.974 0.816 CB 1.815 39 residues pruned to eliminate duplicates Z: 8 20.914 1.951 0.954 0.737 1.000 1.000 C 1.677 8 residues pruned to eliminate duplicates Z: 96 78.819 2.281 0.870 0.701 0.937 0.747 CB 1.685 96 residues pruned to eliminate duplicates Z: 6 5.102 1.705 0.434 0.511 0.800 0.600 CB 1.153 6 residues pruned to eliminate duplicates Z: 16 28.979 1.927 0.755 0.897 1.000 0.867 CB 1.583 16 residues pruned to eliminate duplicates Z: 12 13.445 1.663 0.526 0.921 1.000 0.909 CB 1.123 12 residues pruned to eliminate duplicates Z: 18 48.156 2.342 0.936 0.944 1.000 0.882 C 1.783 18 residues pruned to eliminate duplicates Z: 11 27.253 2.152 1.110 0.605 1.000 0.800 C 1.718 11 residues pruned to eliminate duplicates Z: 18 39.353 2.261 0.842 0.886 1.000 0.706 CB 1.653 18 residues pruned to eliminate duplicates Z: 7 6.072 1.711 -0.144 0.773 1.000 0.833 CA 1.329 7 residues pruned to eliminate duplicates Z: 40 67.188 2.282 0.932 0.905 0.974 0.718 CB 1.783 40 residues pruned to eliminate duplicates Z: 35 22.579 1.880 0.628 0.532 0.971 0.647 CB 1.263 35 residues pruned to eliminate duplicates Z: 16 23.500 2.051 0.297 0.923 1.000 0.933 CB 1.603 16 residues pruned to eliminate duplicates Z: 41 55.521 2.284 0.517 0.893 1.000 0.825 CB 1.818 41 residues pruned to eliminate duplicates Z: 7 13.238 2.083 0.100 0.831 1.000 0.833 C 1.772 7 residues pruned to eliminate duplicates Z: 21 43.484 2.210 0.971 0.903 1.000 0.650 C 1.590 21 residues pruned to eliminate duplicates Z: 19 37.068 2.132 0.724 0.893 0.944 0.833 CB 1.807 19 residues pruned to eliminate duplicates Z: 12 19.151 2.260 0.684 0.540 0.818 0.545 CB 1.784 12 residues pruned to eliminate duplicates Z: 13 13.870 1.661 0.333 0.926 1.000 1.000 CA 1.267 13 residues pruned to eliminate duplicates Z: 12 13.449 1.677 0.401 0.923 1.000 0.818 CB 1.213 12 residues pruned to eliminate duplicates Z: 19 33.181 2.261 0.854 0.606 1.000 0.722 CB 1.686 19 residues pruned to eliminate duplicates Z: 12 11.981 1.666 0.421 0.915 1.000 0.909 CB 1.078 12 residues pruned to eliminate duplicates Z: 83 71.331 2.344 0.576 0.739 0.951 0.732 CB 1.809 83 residues pruned to eliminate duplicates Z: 10 15.963 1.922 1.127 0.570 0.889 0.778 C 1.368 10 residues pruned to eliminate duplicates Z: 87 78.893 2.312 0.766 0.729 0.953 0.663 CB 1.779 87 residues pruned to eliminate duplicates Z: 8 9.821 1.815 0.368 0.619 1.000 0.571 CB 1.336 8 residues pruned to eliminate duplicates Z: 18 31.327 2.286 0.690 0.863 0.882 0.706 CB 1.636 18 residues pruned to eliminate duplicates Z: 31 44.074 2.084 0.760 0.882 0.967 0.800 CB 1.642 31 residues pruned to eliminate duplicates Z: 18 27.857 2.007 0.663 0.864 1.000 0.647 CB 1.485 18 residues pruned to eliminate duplicates Z: 10 15.395 1.971 0.795 0.607 1.000 0.778 CB 1.309 9 residues pruned to eliminate duplicates Z: 11 16.604 1.858 0.790 0.677 0.900 0.800 CA 1.490 11 residues pruned to eliminate duplicates Z: 20 49.702 2.234 1.000 0.893 1.000 0.789 CB 1.833 20 residues pruned to eliminate duplicates Z: 84 77.939 2.242 0.926 0.751 0.940 0.747 CB 1.684 84 residues pruned to eliminate duplicates Z: 20 38.334 2.174 0.982 0.905 0.947 0.632 CB 1.533 20 residues pruned to eliminate duplicates Z: 11 28.096 2.241 1.188 0.550 1.000 0.800 CA 1.725 11 residues pruned to eliminate duplicates Z: 35 29.674 2.275 0.361 0.648 0.882 0.618 CB 1.623 35 residues pruned to eliminate duplicates Z: 52 46.482 2.218 0.579 0.626 0.961 0.745 CB 1.718 52 residues pruned to eliminate duplicates Z: 7 10.166 1.920 0.351 0.681 1.000 0.667 CA 1.356 7 residues pruned to eliminate duplicates Z: 9 4.844 1.931 0.514 0.272 0.750 0.500 CB 1.011 9 residues pruned to eliminate duplicates Z: 18 19.001 2.275 0.524 0.448 0.824 0.706 CB 1.703 18 residues pruned to eliminate duplicates Z: 72 48.742 2.146 0.789 0.517 0.972 0.662 CB 1.524 72 residues pruned to eliminate duplicates Z: 76 57.016 2.186 0.964 0.514 0.973 0.667 CB 1.553 76 residues pruned to eliminate duplicates Z: 44 34.541 2.163 0.522 0.543 0.907 0.535 CB 1.691 44 residues pruned to eliminate duplicates Z: 45 45.263 2.317 0.670 0.646 0.886 0.659 CB 1.736 45 residues pruned to eliminate duplicates Z: 15 41.131 2.097 1.177 0.916 1.000 0.786 CA 1.700 15 residues pruned to eliminate duplicates Z: 16 10.584 1.803 0.363 0.440 0.933 0.667 CB 1.268 16 residues pruned to eliminate duplicates Z: 35 47.595 2.179 0.939 0.731 0.941 0.706 CB 1.668 35 residues pruned to eliminate duplicates Z: 8 16.610 1.999 0.467 0.862 1.000 0.571 CB 1.572 8 residues pruned to eliminate duplicates Z: 6 2.076 1.358 0.531 0.294 0.800 0.600 O 0.703 Z: 15 22.713 2.380 0.469 0.627 0.929 0.429 CB 1.659 15 residues pruned to eliminate duplicates Z: 7 5.525 2.250 -0.028 0.170 0.833 0.667 CA 1.848 7 residues pruned to eliminate duplicates Z: 20 38.762 2.037 1.100 0.835 0.947 0.579 CB 1.644 20 residues pruned to eliminate duplicates Z: 8 9.846 1.791 0.495 0.777 0.857 0.714 CB 1.270 8 residues pruned to eliminate duplicates Z: 23 52.681 2.289 1.339 0.931 1.000 0.773 CB 1.465 23 residues pruned to eliminate duplicates Z: 7 18.220 2.166 0.421 0.865 1.000 0.500 C 1.770 7 residues pruned to eliminate duplicates Z: 6 4.167 1.564 0.540 0.629 0.800 0.600 CA 0.857 6 residues pruned to eliminate duplicates Z: 143 89.860 2.304 0.681 0.677 0.951 0.810 CB 1.739 143 residues pruned to eliminate duplicates Z: 8 4.575 1.584 0.568 0.339 0.714 0.286 CB 1.162 8 residues pruned to eliminate duplicates Z: 8 6.435 1.591 0.363 0.435 1.000 0.571 CA 1.200 9 residues pruned to eliminate duplicates Z: 44 41.945 2.205 0.809 0.582 0.977 0.651 CB 1.517 44 residues pruned to eliminate duplicates Z: 31 38.363 2.050 0.640 0.864 0.967 0.733 CB 1.580 31 residues pruned to eliminate duplicates Z: 19 38.366 2.112 0.806 0.930 1.000 0.833 C 1.658 19 residues pruned to eliminate duplicates Z: 39 60.995 2.313 0.707 0.881 0.974 0.842 CB 1.863 39 residues pruned to eliminate duplicates Z: 18 40.892 2.240 0.914 0.914 0.941 0.882 C 1.739 18 residues pruned to eliminate duplicates Z: 24 48.192 2.163 1.001 0.936 1.000 0.826 CB 1.616 24 residues pruned to eliminate duplicates Z: 55 54.084 2.280 0.781 0.609 0.944 0.667 CB 1.731 55 residues pruned to eliminate duplicates Z: 7 8.843 1.756 0.507 0.780 1.000 0.833 CB 1.066 7 residues pruned to eliminate duplicates Z: 47 49.280 2.189 0.744 0.674 0.913 0.761 CB 1.776 47 residues pruned to eliminate duplicates Z: 63 61.717 2.337 0.906 0.599 0.952 0.726 CB 1.683 63 residues pruned to eliminate duplicates Z: 17 34.375 2.143 0.834 0.912 1.000 0.812 C 1.548 17 residues pruned to eliminate duplicates Z: 23 35.293 2.224 0.733 0.918 0.955 0.909 CB 1.442 23 residues pruned to eliminate duplicates Z: 6 5.899 1.598 0.127 0.809 1.000 0.800 CA 1.119 6 residues pruned to eliminate duplicates Z: 23 25.060 2.222 0.664 0.553 0.955 0.818 CB 1.436 23 residues pruned to eliminate duplicates Z: 17 15.524 1.680 0.696 0.562 1.000 0.625 CB 1.282 17 residues pruned to eliminate duplicates Z: 23 57.216 2.203 1.366 0.941 0.955 0.591 CB 1.701 23 residues pruned to eliminate duplicates Z: 33 24.230 1.912 0.622 0.602 0.969 0.781 CB 1.294 33 residues pruned to eliminate duplicates Z: 46 55.899 2.288 0.923 0.614 0.978 0.667 CB 1.738 46 residues pruned to eliminate duplicates Z: 18 17.222 1.683 0.484 0.859 0.882 0.706 C 1.394 18 residues pruned to eliminate duplicates Z: 9 18.780 1.964 0.658 0.870 1.000 0.875 C 1.489 9 residues pruned to eliminate duplicates Z: 31 48.782 2.096 0.870 0.882 1.000 0.700 CB 1.645 31 residues pruned to eliminate duplicates Z: 13 15.473 1.746 0.432 0.852 1.000 0.833 CB 1.322 13 residues pruned to eliminate duplicates Z: 17 16.316 2.070 0.473 0.447 0.875 0.625 C 1.614 17 residues pruned to eliminate duplicates Z: 21 16.699 2.033 0.264 0.474 0.900 0.550 CB 1.658 21 residues pruned to eliminate duplicates Z: 51 62.943 2.422 0.812 0.625 0.960 0.680 CB 1.878 51 residues pruned to eliminate duplicates Z: 38 70.615 2.338 0.842 0.903 1.000 0.838 CB 1.922 38 residues pruned to eliminate duplicates Z: 41 54.534 2.263 0.565 0.900 0.950 0.800 CB 1.831 41 residues pruned to eliminate duplicates Z: 12 12.311 1.820 0.085 0.923 0.909 0.909 CB 1.453 12 residues pruned to eliminate duplicates Z: 18 11.799 1.932 0.513 0.448 0.882 0.529 CB 1.170 18 residues pruned to eliminate duplicates Z: 21 65.645 2.264 1.592 0.947 1.000 0.750 C 1.729 21 residues pruned to eliminate duplicates Z: 20 45.150 2.342 0.734 0.918 1.000 0.895 CB 1.798 20 residues pruned to eliminate duplicates Z: 105 67.969 2.248 0.783 0.572 0.942 0.683 CB 1.646 105 residues pruned to eliminate duplicates Z: 18 52.398 2.309 1.018 0.952 1.000 0.824 CA 1.878 18 residues pruned to eliminate duplicates Z: 35 39.722 2.181 0.728 0.687 0.971 0.735 CB 1.569 35 residues pruned to eliminate duplicates Z: 24 25.939 1.987 0.273 0.895 1.000 0.783 CB 1.533 24 residues pruned to eliminate duplicates Z: 117 73.251 2.316 0.554 0.674 0.922 0.784 CB 1.744 117 residues pruned to eliminate duplicates Z: 10 29.849 2.195 0.981 0.917 1.000 0.222 CB 1.614 10 residues pruned to eliminate duplicates Z: 24 19.857 2.013 0.564 0.457 0.957 0.652 CB 1.438 24 residues pruned to eliminate duplicates Z: 13 12.429 1.748 0.299 0.893 0.917 0.750 CB 1.237 13 residues pruned to eliminate duplicates Z: 51 72.749 2.255 0.990 0.786 1.000 0.800 CB 1.783 51 residues pruned to eliminate duplicates Z: 10 9.421 1.859 0.547 0.447 0.778 0.556 C 1.482 10 residues pruned to eliminate duplicates Z: 85 66.970 2.324 0.550 0.724 0.929 0.750 CB 1.785 85 residues pruned to eliminate duplicates Z: 16 26.317 2.019 0.592 0.851 1.000 0.800 CB 1.564 16 residues pruned to eliminate duplicates Z: 21 40.874 2.180 0.723 0.879 1.000 0.850 CB 1.764 21 residues pruned to eliminate duplicates Z: 9 24.036 2.161 0.708 0.814 1.000 0.625 CA 1.752 9 residues pruned to eliminate duplicates Z: 7 6.318 2.105 0.110 0.392 0.833 0.500 CB 1.484 7 residues pruned to eliminate duplicates Z: 28 37.776 2.252 0.609 0.677 0.963 0.667 CA 1.771 28 residues pruned to eliminate duplicates Z: 7 5.813 1.686 0.131 0.484 1.000 0.667 CB 1.264 7 residues pruned to eliminate duplicates Z: 30 40.067 2.085 0.585 0.863 1.000 0.828 CB 1.652 30 residues pruned to eliminate duplicates Z: 36 40.016 2.180 0.891 0.609 0.943 0.514 CB 1.569 36 residues pruned to eliminate duplicates Z: 32 18.473 1.743 0.476 0.496 0.903 0.645 CA 1.434 11 residues pruned to eliminate duplicates Z: 18 46.330 2.453 0.703 0.875 1.000 0.706 CB 1.956 18 residues pruned to eliminate duplicates Z: 30 43.759 2.362 0.786 0.738 0.897 0.621 CB 1.736 30 residues pruned to eliminate duplicates Z: 23 39.109 2.188 0.795 0.916 1.000 0.864 CB 1.499 23 residues pruned to eliminate duplicates Z: 36 55.839 2.379 0.837 0.701 0.943 0.829 CB 1.907 36 residues pruned to eliminate duplicates Z: 26 35.606 2.207 0.448 0.840 0.920 0.680 CA 1.808 26 residues pruned to eliminate duplicates Z: 76 80.731 2.286 0.843 0.780 0.960 0.680 CB 1.802 76 residues pruned to eliminate duplicates Z: 12 13.795 1.674 0.449 0.918 1.000 0.818 CB 1.209 12 residues pruned to eliminate duplicates Z: 18 35.811 2.336 0.533 0.918 1.000 0.824 CB 1.710 18 residues pruned to eliminate duplicates Z: 29 36.991 2.337 0.423 0.666 0.964 0.714 CB 1.869 29 residues pruned to eliminate duplicates Z: 31 45.677 2.104 0.797 0.866 1.000 0.833 CB 1.615 31 residues pruned to eliminate duplicates Z: 31 18.558 1.809 0.773 0.440 0.900 0.667 CB 1.248 31 residues pruned to eliminate duplicates Z: 18 13.948 1.981 0.423 0.388 0.941 0.471 CB 1.435 18 residues pruned to eliminate duplicates Z: 49 35.821 2.035 0.706 0.499 0.958 0.667 CB 1.555 49 residues pruned to eliminate duplicates Z: 9 6.482 2.064 0.134 0.342 0.875 0.500 C 1.329 9 residues pruned to eliminate duplicates Z: 20 19.410 1.912 0.635 0.656 1.000 0.789 CB 1.233 20 residues pruned to eliminate duplicates Z: 67 85.124 2.308 0.956 0.779 0.985 0.712 CB 1.844 67 residues pruned to eliminate duplicates Z: 108 103.148 2.385 0.906 0.768 0.981 0.664 CB 1.764 108 residues pruned to eliminate duplicates Z: 8 11.989 2.077 0.061 0.781 1.000 0.857 CA 1.606 8 residues pruned to eliminate duplicates Z: 13 15.488 1.995 0.442 0.824 0.750 0.583 CB 1.566 13 residues pruned to eliminate duplicates Z: 17 34.205 2.323 1.060 0.658 1.000 0.750 CB 1.543 17 residues pruned to eliminate duplicates Z: 11 8.960 1.807 0.567 0.436 1.000 0.400 CB 1.069 11 residues pruned to eliminate duplicates Z: 11 18.301 1.992 0.517 0.809 1.000 0.700 CB 1.463 11 residues pruned to eliminate duplicates Z: 6 9.741 1.786 0.361 0.842 1.000 0.800 CA 1.336 6 residues pruned to eliminate duplicates Z: 11 14.818 2.170 0.335 0.583 0.900 0.800 CB 1.659 11 residues pruned to eliminate duplicates Z: 6 3.525 1.562 0.207 0.465 1.000 0.600 CB 0.866 6 residues pruned to eliminate duplicates Z: 80 76.288 2.354 0.813 0.714 0.924 0.734 CB 1.794 80 residues pruned to eliminate duplicates Z: 50 63.015 2.280 0.758 0.737 0.980 0.735 CB 1.853 50 residues pruned to eliminate duplicates Z: 20 56.027 2.280 1.113 0.900 1.000 0.632 CA 1.906 20 residues pruned to eliminate duplicates Z: 16 18.580 1.963 0.800 0.508 0.933 0.733 CB 1.443 16 residues pruned to eliminate duplicates Z: 24 36.601 2.041 0.701 0.902 1.000 0.826 CB 1.568 24 residues pruned to eliminate duplicates Z: 8 11.277 1.803 0.533 0.618 0.857 0.714 CA 1.609 8 residues pruned to eliminate duplicates Z: 45 59.229 2.220 1.076 0.755 0.909 0.727 CB 1.698 45 residues pruned to eliminate duplicates Z: 31 47.151 2.113 0.864 0.817 0.967 0.733 CB 1.717 31 residues pruned to eliminate duplicates Z: 20 45.499 2.196 1.053 0.900 0.947 0.842 C 1.746 20 residues pruned to eliminate duplicates Z: 7 8.431 1.836 0.364 0.751 0.833 0.667 C 1.319 7 residues pruned to eliminate duplicates Z: 17 26.826 2.180 0.809 0.551 0.938 0.750 CA 1.727 17 residues pruned to eliminate duplicates Z: 20 23.834 2.171 0.554 0.570 0.895 0.579 CB 1.694 20 residues pruned to eliminate duplicates Z: 29 35.304 2.230 0.800 0.564 0.964 0.643 CB 1.620 29 residues pruned to eliminate duplicates Z: 16 34.428 2.268 0.658 0.899 0.933 0.867 C 1.810 16 residues pruned to eliminate duplicates Z: 32 44.827 2.242 0.805 0.619 1.000 0.677 CB 1.777 32 residues pruned to eliminate duplicates Z: 16 31.397 2.326 1.197 0.641 0.933 0.733 CB 1.490 16 residues pruned to eliminate duplicates Z: 25 35.381 2.234 0.973 0.645 0.917 0.667 CB 1.560 25 residues pruned to eliminate duplicates Z: 31 31.980 2.000 0.426 0.898 1.000 0.900 CB 1.465 31 residues pruned to eliminate duplicates Z: 16 23.491 2.067 0.746 0.607 0.933 0.867 CA 1.626 16 residues pruned to eliminate duplicates Z: 6 5.636 2.102 0.325 0.173 0.800 0.800 CA 1.680 6 residues pruned to eliminate duplicates Z: 56 44.500 2.170 0.628 0.608 0.909 0.691 CB 1.687 59 residues pruned to eliminate duplicates Z: 152 109.600 2.345 0.869 0.700 0.934 0.695 CB 1.816 152 residues pruned to eliminate duplicates Z: 8 7.538 1.522 0.406 0.569 1.000 0.571 CB 1.245 7 residues pruned to eliminate duplicates Z: 59 46.067 2.132 0.864 0.580 0.966 0.655 CB 1.460 59 residues pruned to eliminate duplicates Z: 19 31.839 2.149 0.502 0.848 1.000 0.722 CA 1.726 19 residues pruned to eliminate duplicates Z: 18 22.271 2.247 0.406 0.622 0.941 0.588 CB 1.619 18 residues pruned to eliminate duplicates Z: 7 20.138 2.282 0.521 0.891 1.000 1.000 CA 1.703 7 residues pruned to eliminate duplicates Z: 30 47.887 2.283 1.089 0.727 0.966 0.759 CB 1.575 30 residues pruned to eliminate duplicates Z: 23 9.209 1.704 0.301 0.371 0.955 0.545 CB 1.066 10 residues pruned to eliminate duplicates Z: 62 60.589 2.287 0.866 0.588 0.984 0.590 CB 1.699 74 residues pruned to eliminate duplicates Z: 25 23.743 1.971 0.306 0.870 0.958 0.750 CB 1.434 25 residues pruned to eliminate duplicates Z: 12 17.606 1.813 0.448 0.906 1.000 0.909 CA 1.438 12 residues pruned to eliminate duplicates Z: 47 39.732 2.169 0.803 0.515 0.978 0.630 CB 1.509 47 residues pruned to eliminate duplicates Z: 13 18.024 2.125 0.733 0.495 0.833 0.750 C 1.705 13 residues pruned to eliminate duplicates Z: 11 16.594 1.967 0.809 0.631 0.900 0.700 CA 1.448 11 residues pruned to eliminate duplicates Z: 16 8.582 1.870 0.401 0.275 0.867 0.533 CB 1.258 16 residues pruned to eliminate duplicates Z: 18 31.213 2.219 0.761 0.605 0.941 0.882 CB 1.862 18 residues pruned to eliminate duplicates Z: 25 44.896 2.198 0.747 0.874 0.958 0.875 C 1.813 25 residues pruned to eliminate duplicates Z: 27 49.842 2.388 0.792 0.764 0.923 0.654 CB 1.958 27 residues pruned to eliminate duplicates Z: 43 46.576 2.249 0.789 0.600 0.952 0.667 CB 1.705 43 residues pruned to eliminate duplicates Z: 13 25.030 2.156 0.745 0.671 1.000 0.667 CA 1.641 13 residues pruned to eliminate duplicates Z: 13 17.249 2.092 0.607 0.584 0.917 0.583 CA 1.490 13 residues pruned to eliminate duplicates Z: 17 30.865 2.064 0.627 0.924 1.000 0.812 CB 1.614 17 residues pruned to eliminate duplicates Z: 6 11.697 2.164 0.460 0.809 0.800 0.600 CA 1.580 6 residues pruned to eliminate duplicates Z: 29 34.703 2.202 0.828 0.608 0.893 0.750 CB 1.646 29 residues pruned to eliminate duplicates Z: 11 24.477 2.286 0.746 0.611 1.000 0.400 CA 1.746 11 residues pruned to eliminate duplicates Z: 27 35.548 2.129 0.648 0.739 0.923 0.769 C 1.737 27 residues pruned to eliminate duplicates Z: 28 43.327 2.364 0.650 0.733 0.926 0.704 C 1.872 28 residues pruned to eliminate duplicates Z: 6 4.175 1.642 0.384 0.399 1.000 0.600 CA 0.913 Z: 66 52.999 2.099 0.660 0.652 0.954 0.585 CB 1.717 66 residues pruned to eliminate duplicates Z: 19 36.501 2.354 0.838 0.675 0.944 0.889 C 1.792 19 residues pruned to eliminate duplicates Z: 31 37.487 2.057 0.586 0.868 0.967 0.800 CB 1.586 31 residues pruned to eliminate duplicates Z: 15 38.637 2.429 0.600 0.913 1.000 0.857 CB 1.881 15 residues pruned to eliminate duplicates Z: 55 51.830 2.153 0.897 0.595 0.907 0.667 CB 1.738 55 residues pruned to eliminate duplicates Z: 55 46.123 2.217 0.697 0.573 0.926 0.648 CB 1.679 55 residues pruned to eliminate duplicates Z: 8 7.869 2.107 0.394 0.451 0.714 0.571 CB 1.490 8 residues pruned to eliminate duplicates Z: 64 46.934 2.098 0.717 0.584 0.952 0.698 CB 1.590 64 residues pruned to eliminate duplicates Z: 93 94.171 2.317 0.899 0.777 0.967 0.717 CB 1.806 93 residues pruned to eliminate duplicates Z: 57 88.158 2.368 1.146 0.836 0.964 0.714 CB 1.799 57 residues pruned to eliminate duplicates Z: 13 20.997 1.977 0.770 0.588 1.000 0.667 C 1.592 13 residues pruned to eliminate duplicates Z: 39 35.231 2.255 0.914 0.525 0.895 0.711 CB 1.444 39 residues pruned to eliminate duplicates Z: 25 29.009 1.974 0.528 0.859 1.000 0.750 CB 1.444 25 residues pruned to eliminate duplicates Z: 37 43.550 2.127 0.894 0.599 0.972 0.750 CB 1.687 37 residues pruned to eliminate duplicates Z: 11 7.022 1.431 0.172 0.809 0.900 0.600 CB 1.125 11 residues pruned to eliminate duplicates Z: 8 10.990 2.041 0.560 0.562 0.857 0.571 CB 1.433 8 residues pruned to eliminate duplicates Z: 20 23.299 2.304 0.282 0.574 0.947 0.632 CB 1.778 20 residues pruned to eliminate duplicates Z: 37 56.916 2.393 0.866 0.681 0.972 0.667 CB 1.851 37 residues pruned to eliminate duplicates Z: 22 37.342 2.317 0.688 0.656 0.952 0.714 C 1.893 22 residues pruned to eliminate duplicates Z: 16 35.135 2.093 0.925 0.797 1.000 0.733 CB 1.736 16 residues pruned to eliminate duplicates Z: 19 20.960 1.915 0.682 0.554 1.000 0.611 CB 1.456 19 residues pruned to eliminate duplicates Z: 40 57.469 2.426 0.837 0.646 0.923 0.821 CB 1.952 40 residues pruned to eliminate duplicates Z: 33 46.788 2.047 1.011 0.801 0.938 0.750 CB 1.647 33 residues pruned to eliminate duplicates Z: 19 45.732 2.373 0.980 0.755 0.944 0.778 CA 1.936 19 residues pruned to eliminate duplicates Z: 24 56.297 2.180 1.164 0.940 1.000 0.826 CB 1.727 24 residues pruned to eliminate duplicates Z: 46 38.350 2.240 0.551 0.618 0.844 0.667 CB 1.743 46 residues pruned to eliminate duplicates Z: 56 76.179 2.285 1.038 0.795 0.964 0.818 CB 1.768 56 residues pruned to eliminate duplicates Z: 6 3.519 2.017 0.379 0.420 0.800 0.800 CB 0.769 6 residues pruned to eliminate duplicates Z: 17 36.261 2.305 1.037 0.724 0.938 0.750 CB 1.683 17 residues pruned to eliminate duplicates Z: 81 67.066 2.318 0.657 0.691 0.938 0.788 CB 1.748 81 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 22 47.342 2.286 1.137 0.790 0.905 0.619 CA 1.812 22 residues pruned to eliminate duplicates Z: 33 45.250 2.057 0.925 0.776 0.938 0.688 CB 1.689 32 residues pruned to eliminate duplicates Z: 21 49.973 2.278 0.936 0.879 1.000 0.700 CB 1.837 21 residues pruned to eliminate duplicates Z: 33 50.197 2.079 0.951 0.798 1.000 0.750 CB 1.686 33 residues pruned to eliminate duplicates Z: 29 47.747 2.160 0.890 0.883 0.893 0.607 CB 1.789 29 residues pruned to eliminate duplicates Z: 34 47.779 2.017 0.903 0.792 1.000 0.727 CB 1.677 33 residues pruned to eliminate duplicates Z: 19 53.246 2.366 1.000 0.887 1.000 0.778 CA 1.912 22 residues pruned to eliminate duplicates Z: 31 49.409 2.109 0.977 0.883 0.933 0.633 CB 1.675 31 residues pruned to eliminate duplicates Z: 33 42.949 2.043 0.917 0.792 0.906 0.719 CB 1.655 33 residues pruned to eliminate duplicates Z: 21 51.152 2.321 1.011 0.784 1.000 0.700 C 1.909 19 residues pruned to eliminate duplicates Z: 20 51.157 2.307 0.939 0.881 1.000 0.842 CA 1.900 20 residues pruned to eliminate duplicates Z: 34 44.140 2.025 0.962 0.754 0.939 0.606 CB 1.642 34 residues pruned to eliminate duplicates Z: 22 45.580 2.277 0.981 0.745 0.952 0.524 C 1.859 22 residues pruned to eliminate duplicates Z: 25 41.582 2.092 0.933 0.767 1.000 0.625 C 1.657 25 residues pruned to eliminate duplicates Z: 33 47.252 2.072 0.988 0.800 0.938 0.688 CB 1.664 33 residues pruned to eliminate duplicates Z: 32 50.285 2.112 1.016 0.803 0.968 0.710 CB 1.681 32 residues pruned to eliminate duplicates Z: 23 50.296 2.218 1.096 0.788 1.000 0.727 C 1.791 23 residues pruned to eliminate duplicates Z: 34 47.780 2.031 0.973 0.778 0.970 0.697 CB 1.675 33 residues pruned to eliminate duplicates Z: 31 50.876 2.110 0.990 0.886 0.967 0.667 CB 1.652 31 residues pruned to eliminate duplicates Z: 33 44.428 2.079 0.794 0.819 0.938 0.750 CB 1.702 33 residues pruned to eliminate duplicates Z: 32 48.897 2.106 0.915 0.815 0.968 0.581 CB 1.712 32 residues pruned to eliminate duplicates Z: 32 48.392 2.122 0.919 0.823 0.935 0.645 CB 1.725 32 residues pruned to eliminate duplicates Z: 34 47.255 2.037 0.931 0.797 0.970 0.576 CB 1.664 34 residues pruned to eliminate duplicates Z: 32 50.601 2.112 0.884 0.824 1.000 0.677 CB 1.726 32 residues pruned to eliminate duplicates Z: 33 51.643 2.084 1.033 0.812 0.969 0.625 CB 1.696 33 residues pruned to eliminate duplicates Z: 33 50.613 2.077 1.020 0.833 0.938 0.656 CB 1.707 33 residues pruned to eliminate duplicates Z: 33 49.526 2.078 0.895 0.804 1.000 0.594 CB 1.705 33 residues pruned to eliminate duplicates Z: 33 45.230 2.067 0.891 0.796 0.938 0.688 CB 1.683 33 residues pruned to eliminate duplicates Z: 32 51.342 2.121 0.908 0.818 1.000 0.645 CB 1.729 33 residues pruned to eliminate duplicates Z: 12 15.590 1.676 0.576 0.932 1.000 0.636 CB 1.242 12 residues pruned to eliminate duplicates Z: 43 44.861 2.274 0.576 0.646 0.929 0.690 CB 1.816 43 residues pruned to eliminate duplicates Z: 28 40.226 2.311 0.688 0.724 0.889 0.778 C 1.825 28 residues pruned to eliminate duplicates Z: 29 41.040 2.286 0.677 0.700 0.893 0.714 C 1.888 29 residues pruned to eliminate duplicates Z: 43 51.352 2.268 0.682 0.655 0.976 0.667 CB 1.842 43 residues pruned to eliminate duplicates Z: 72 55.960 2.148 0.740 0.617 0.972 0.761 CB 1.636 72 residues pruned to eliminate duplicates Z: 6 3.991 1.336 0.571 0.390 1.000 0.800 CB 0.956 6 residues pruned to eliminate duplicates Z: 31 40.234 2.346 0.638 0.631 0.900 0.700 C 1.878 31 residues pruned to eliminate duplicates Z: 29 38.625 2.320 0.565 0.693 0.893 0.786 C 1.887 29 residues pruned to eliminate duplicates Z: 43 46.206 2.281 0.511 0.664 0.952 0.738 C 1.867 43 residues pruned to eliminate duplicates Z: 28 34.738 2.359 0.538 0.664 0.889 0.667 C 1.781 28 residues pruned to eliminate duplicates Z: 45 40.072 2.151 0.521 0.625 0.932 0.750 CB 1.761 45 residues pruned to eliminate duplicates Z: 44 46.558 2.241 0.615 0.639 0.953 0.674 C 1.806 44 residues pruned to eliminate duplicates Z: 28 37.804 2.370 0.592 0.677 0.926 0.630 C 1.768 28 residues pruned to eliminate duplicates Z: 27 42.735 2.378 0.806 0.736 0.846 0.692 C 1.865 27 residues pruned to eliminate duplicates Z: 30 43.540 2.339 0.670 0.671 0.931 0.621 C 1.898 30 residues pruned to eliminate duplicates Z: 65 57.553 2.221 0.724 0.620 0.953 0.672 CB 1.761 65 residues pruned to eliminate duplicates Z: 32 42.187 2.308 0.618 0.672 0.935 0.742 CB 1.851 32 residues pruned to eliminate duplicates Z: 64 59.976 2.261 0.727 0.597 0.984 0.730 CB 1.793 64 residues pruned to eliminate duplicates Z: 30 37.254 2.257 0.672 0.670 0.897 0.690 C 1.747 30 residues pruned to eliminate duplicates Z: 27 41.989 2.388 0.680 0.683 0.923 0.654 C 1.880 51 residues pruned to eliminate duplicates Z: 10 22.999 2.215 0.443 0.915 1.000 0.889 CB 1.695 10 residues pruned to eliminate duplicates Z: 43 51.111 2.316 0.673 0.673 0.952 0.738 CB 1.822 41 residues pruned to eliminate duplicates Z: 19 39.936 2.446 0.547 0.864 1.000 0.833 CB 1.824 19 residues pruned to eliminate duplicates Z: 30 43.924 2.365 0.670 0.647 0.966 0.793 C 1.865 30 residues pruned to eliminate duplicates Z: 20 41.789 2.451 0.614 0.788 1.000 0.842 CB 1.881 20 residues pruned to eliminate duplicates Z: 43 46.663 2.239 0.709 0.635 0.952 0.690 CB 1.741 43 residues pruned to eliminate duplicates Z: 50 41.775 2.126 0.622 0.618 0.918 0.776 CB 1.686 50 residues pruned to eliminate duplicates Z: 74 51.157 2.095 0.693 0.614 0.973 0.699 CB 1.559 74 residues pruned to eliminate duplicates Z: 43 48.178 2.264 0.597 0.648 0.976 0.690 CB 1.835 43 residues pruned to eliminate duplicates Z: 43 49.340 2.250 0.728 0.654 0.952 0.643 CB 1.782 43 residues pruned to eliminate duplicates Z: 57 55.283 2.134 0.853 0.652 0.982 0.643 CB 1.651 57 residues pruned to eliminate duplicates Z: 11 19.102 2.070 0.753 0.630 0.900 0.800 CA 1.637 11 residues pruned to eliminate duplicates Z: 16 23.550 2.036 0.709 0.659 1.000 0.800 C 1.507 16 residues pruned to eliminate duplicates Z: 16 19.037 1.997 0.570 0.621 0.867 0.600 CA 1.613 16 residues pruned to eliminate duplicates Z: 43 48.069 2.244 0.747 0.633 0.929 0.690 C 1.799 43 residues pruned to eliminate duplicates Z: 10 13.110 1.835 0.773 0.803 0.889 0.556 C 1.160 10 residues pruned to eliminate duplicates Z: 15 25.201 2.144 0.563 0.659 1.000 0.857 CB 1.734 15 residues pruned to eliminate duplicates Z: 16 24.366 2.013 0.832 0.657 0.933 0.867 C 1.579 16 residues pruned to eliminate duplicates Z: 8 3.370 1.423 0.952 0.132 0.714 0.286 CB 1.016 8 residues pruned to eliminate duplicates Z: 22 19.716 1.914 0.711 0.522 0.905 0.714 CB 1.421 22 residues pruned to eliminate duplicates Z: 49 45.527 2.162 0.637 0.637 0.938 0.792 CB 1.742 49 residues pruned to eliminate duplicates Z: 73 52.739 2.155 0.641 0.637 0.958 0.639 CB 1.614 73 residues pruned to eliminate duplicates Z: 49 37.779 2.156 0.442 0.642 0.958 0.750 CB 1.602 49 residues pruned to eliminate duplicates Z: 38 33.339 2.020 0.689 0.636 1.000 0.622 CB 1.415 38 residues pruned to eliminate duplicates Z: 32 28.914 1.970 0.795 0.596 1.000 0.742 CB 1.341 33 residues pruned to eliminate duplicates Z: 6 7.730 1.735 0.801 0.443 1.000 0.600 CB 1.173 6 residues pruned to eliminate duplicates Z: 35 24.916 1.901 0.632 0.598 0.971 0.588 CB 1.292 35 residues pruned to eliminate duplicates Z: 31 24.710 1.954 0.632 0.617 1.000 0.733 CB 1.267 31 residues pruned to eliminate duplicates Z: 45 28.108 1.900 0.834 0.514 0.932 0.614 CB 1.288 45 residues pruned to eliminate duplicates Z: 32 25.210 1.974 0.694 0.567 0.935 0.548 CB 1.358 32 residues pruned to eliminate duplicates Z: 34 25.326 1.905 0.783 0.561 0.970 0.667 CB 1.262 34 residues pruned to eliminate duplicates Z: 35 23.601 1.893 0.698 0.564 0.941 0.618 CB 1.258 34 residues pruned to eliminate duplicates Z: 7 8.884 1.844 0.656 0.409 1.000 0.667 CB 1.307 7 residues pruned to eliminate duplicates Z: 34 26.804 1.920 0.758 0.588 1.000 0.667 CB 1.271 34 residues pruned to eliminate duplicates Z: 34 25.744 1.921 0.780 0.605 0.939 0.697 CB 1.263 34 residues pruned to eliminate duplicates Z: 30 26.603 2.006 0.733 0.568 0.966 0.759 CB 1.378 30 residues pruned to eliminate duplicates Z: 31 26.515 1.965 0.882 0.581 0.933 0.733 CB 1.298 31 residues pruned to eliminate duplicates Z: 45 32.195 1.984 0.577 0.623 1.000 0.750 CB 1.382 45 residues pruned to eliminate duplicates Z: 16 19.860 1.995 0.589 0.727 0.933 0.733 CB 1.413 16 residues pruned to eliminate duplicates Z: 24 30.974 2.034 0.948 0.686 0.957 0.826 CB 1.437 23 residues pruned to eliminate duplicates Z: 13 27.400 1.894 0.823 0.913 1.000 0.667 CA 1.621 13 residues pruned to eliminate duplicates Z: 31 28.263 1.968 0.827 0.582 0.967 0.733 CB 1.372 31 residues pruned to eliminate duplicates Z: 31 30.471 1.963 0.964 0.635 1.000 0.833 CB 1.272 32 residues pruned to eliminate duplicates Z: 14 26.914 1.840 1.029 0.896 1.000 0.692 CB 1.433 13 residues pruned to eliminate duplicates Z: 15 25.471 1.739 1.102 0.860 1.000 0.500 CB 1.369 15 residues pruned to eliminate duplicates Z: 16 25.737 1.991 1.019 0.736 0.933 0.533 CB 1.433 16 residues pruned to eliminate duplicates Z: 27 20.072 1.966 0.560 0.468 0.923 0.692 CB 1.437 27 residues pruned to eliminate duplicates Z: 24 22.527 2.044 0.748 0.452 0.913 0.652 CB 1.513 25 residues pruned to eliminate duplicates Z: 6 8.510 1.667 0.950 0.465 1.000 0.600 C 1.213 6 residues pruned to eliminate duplicates Z: 24 23.061 2.060 0.794 0.474 0.870 0.609 CB 1.536 24 residues pruned to eliminate duplicates Z: 25 21.937 1.985 0.669 0.467 0.917 0.708 CB 1.525 25 residues pruned to eliminate duplicates Z: 24 20.041 2.034 0.497 0.445 0.957 0.652 CB 1.519 24 residues pruned to eliminate duplicates Z: 25 18.566 2.027 0.592 0.412 0.917 0.583 CB 1.405 25 residues pruned to eliminate duplicates Z: 7 5.644 1.756 0.390 0.531 0.833 0.500 CB 1.099 7 residues pruned to eliminate duplicates Z: 25 18.339 2.023 0.526 0.433 0.875 0.750 CB 1.486 25 residues pruned to eliminate duplicates Z: 24 23.034 2.020 0.727 0.452 0.957 0.739 CB 1.512 24 residues pruned to eliminate duplicates Z: 9 8.998 1.904 0.431 0.594 0.750 0.625 CA 1.423 9 residues pruned to eliminate duplicates Z: 24 23.589 2.053 0.718 0.461 0.957 0.696 CB 1.517 24 residues pruned to eliminate duplicates Z: 7 9.828 1.807 0.277 0.829 1.000 0.833 CA 1.308 7 residues pruned to eliminate duplicates Z: 26 20.865 1.990 0.628 0.478 0.960 0.720 CB 1.373 25 residues pruned to eliminate duplicates Z: 7 6.940 1.761 0.185 0.797 0.833 0.500 CA 1.256 7 residues pruned to eliminate duplicates Z: 26 19.164 1.977 0.500 0.475 0.960 0.720 CB 1.381 26 residues pruned to eliminate duplicates Z: 25 19.856 1.991 0.501 0.489 0.917 0.625 CB 1.495 25 residues pruned to eliminate duplicates Z: 25 20.914 2.031 0.670 0.473 0.917 0.708 CB 1.410 25 residues pruned to eliminate duplicates Z: 24 21.251 2.024 0.632 0.487 0.957 0.739 CB 1.420 24 residues pruned to eliminate duplicates Z: 24 20.780 2.034 0.547 0.491 0.957 0.826 CB 1.452 24 residues pruned to eliminate duplicates Z: 24 19.180 2.010 0.629 0.455 0.913 0.696 CB 1.401 24 residues pruned to eliminate duplicates Z: 25 20.361 2.000 0.599 0.456 0.917 0.625 CB 1.483 25 residues pruned to eliminate duplicates Z: 9 8.452 1.985 0.488 0.388 0.750 0.625 CA 1.519 Z: 8 11.365 2.182 0.399 0.419 1.000 0.714 CB 1.531 9 residues pruned to eliminate duplicates Z: 24 42.005 2.284 0.643 0.882 0.957 0.913 CB 1.765 22 residues pruned to eliminate duplicates Z: 25 47.007 2.183 0.859 0.915 0.958 0.917 CB 1.745 25 residues pruned to eliminate duplicates Z: 79 69.103 2.301 0.624 0.735 0.974 0.782 CB 1.739 77 residues pruned to eliminate duplicates Z: 23 51.379 2.224 1.084 0.943 0.955 0.773 C 1.716 23 residues pruned to eliminate duplicates Z: 109 87.550 2.352 0.670 0.749 0.972 0.731 CB 1.766 109 residues pruned to eliminate duplicates Z: 25 45.140 2.269 0.924 0.812 0.917 0.875 CB 1.755 25 residues pruned to eliminate duplicates Z: 93 83.116 2.337 0.650 0.786 0.978 0.815 CB 1.787 94 residues pruned to eliminate duplicates Z: 23 58.608 2.257 1.259 0.947 0.955 0.818 C 1.774 23 residues pruned to eliminate duplicates Z: 53 60.971 2.305 0.644 0.822 0.962 0.865 CB 1.756 53 residues pruned to eliminate duplicates Z: 93 77.876 2.329 0.666 0.766 0.935 0.728 CB 1.768 93 residues pruned to eliminate duplicates Z: 93 82.269 2.353 0.636 0.777 0.967 0.761 CB 1.804 93 residues pruned to eliminate duplicates Z: 109 85.078 2.356 0.692 0.747 0.944 0.796 CB 1.745 109 residues pruned to eliminate duplicates Z: 23 63.069 2.294 1.322 0.939 0.955 0.818 C 1.839 25 residues pruned to eliminate duplicates Z: 23 58.429 2.242 1.165 0.946 1.000 0.909 CB 1.775 23 residues pruned to eliminate duplicates Z: 76 72.696 2.300 0.715 0.754 0.960 0.733 CB 1.767 76 residues pruned to eliminate duplicates Z: 98 78.529 2.349 0.627 0.768 0.938 0.732 CB 1.755 98 residues pruned to eliminate duplicates Z: 51 69.979 2.315 0.839 0.840 0.960 0.800 CB 1.806 51 residues pruned to eliminate duplicates Z: 79 74.384 2.317 0.697 0.747 0.974 0.782 CB 1.762 79 residues pruned to eliminate duplicates Z: 78 77.732 2.337 0.749 0.756 0.974 0.818 CB 1.772 76 residues pruned to eliminate duplicates Z: 22 64.838 2.248 1.424 0.959 1.000 0.762 C 1.780 22 residues pruned to eliminate duplicates Z: 51 56.424 2.168 0.878 0.717 0.980 0.680 CB 1.644 51 residues pruned to eliminate duplicates Z: 101 83.206 2.340 0.683 0.764 0.940 0.830 CB 1.778 101 residues pruned to eliminate duplicates Z: 90 85.065 2.362 0.667 0.800 0.978 0.831 CB 1.801 90 residues pruned to eliminate duplicates Z: 91 83.407 2.348 0.722 0.789 0.933 0.833 CB 1.808 91 residues pruned to eliminate duplicates Z: 95 88.709 2.338 0.760 0.773 0.968 0.766 CB 1.803 95 residues pruned to eliminate duplicates Z: 91 87.313 2.347 0.746 0.807 0.967 0.789 CB 1.778 91 residues pruned to eliminate duplicates Z: 92 89.485 2.373 0.729 0.791 0.967 0.824 CB 1.832 92 residues pruned to eliminate duplicates Z: 96 75.634 2.317 0.661 0.759 0.916 0.768 CB 1.748 96 residues pruned to eliminate duplicates Z: 67 72.864 2.394 0.594 0.793 0.985 0.864 CB 1.844 67 residues pruned to eliminate duplicates Z: 94 85.827 2.316 0.734 0.778 0.957 0.796 CB 1.812 94 residues pruned to eliminate duplicates Z: 94 85.275 2.325 0.717 0.770 0.978 0.785 CB 1.783 94 residues pruned to eliminate duplicates Z: 80 66.148 2.302 0.587 0.719 0.975 0.709 CB 1.714 80 residues pruned to eliminate duplicates Z: 69 77.825 2.275 0.801 0.790 0.985 0.794 CB 1.812 69 residues pruned to eliminate duplicates Z: 68 68.880 2.380 0.575 0.770 0.970 0.836 CB 1.822 68 residues pruned to eliminate duplicates Z: 92 90.051 2.353 0.776 0.792 0.967 0.824 CB 1.808 92 residues pruned to eliminate duplicates Z: 69 68.932 2.360 0.652 0.768 0.941 0.824 CB 1.796 69 residues pruned to eliminate duplicates Z: 44 72.909 2.294 1.119 0.826 0.953 0.791 CB 1.810 44 residues pruned to eliminate duplicates Z: 76 86.653 2.342 0.894 0.785 0.973 0.787 CB 1.803 76 residues pruned to eliminate duplicates Z: 90 91.569 2.361 0.786 0.806 0.966 0.764 CB 1.824 90 residues pruned to eliminate duplicates Z: 93 89.288 2.353 0.767 0.781 0.957 0.837 CB 1.827 93 residues pruned to eliminate duplicates Z: 75 84.702 2.362 0.858 0.776 0.973 0.784 CB 1.807 75 residues pruned to eliminate duplicates Z: 93 95.205 2.351 0.868 0.780 0.967 0.826 CB 1.826 93 residues pruned to eliminate duplicates Z: 69 73.537 2.342 0.687 0.765 0.985 0.853 CB 1.811 69 residues pruned to eliminate duplicates Z: 93 92.156 2.352 0.866 0.776 0.946 0.793 CB 1.814 93 residues pruned to eliminate duplicates Z: 94 90.126 2.319 0.880 0.778 0.935 0.785 CB 1.793 94 residues pruned to eliminate duplicates Z: 92 95.413 2.369 0.844 0.790 0.967 0.835 CB 1.836 92 residues pruned to eliminate duplicates Z: 54 78.290 2.271 1.033 0.811 0.981 0.774 CB 1.811 54 residues pruned to eliminate duplicates Z: 93 94.361 2.353 0.874 0.780 0.967 0.793 CB 1.802 93 residues pruned to eliminate duplicates Z: 94 92.855 2.349 0.876 0.786 0.946 0.828 CB 1.795 94 residues pruned to eliminate duplicates Z: 110 90.361 2.322 0.819 0.745 0.927 0.697 CB 1.776 110 residues pruned to eliminate duplicates Z: 97 94.315 2.306 0.892 0.768 0.979 0.760 CB 1.777 97 residues pruned to eliminate duplicates Z: 76 80.872 2.373 0.829 0.747 0.960 0.773 CB 1.798 76 residues pruned to eliminate duplicates Z: 94 94.137 2.330 0.885 0.780 0.968 0.720 CB 1.794 94 residues pruned to eliminate duplicates Z: 108 92.269 2.340 0.858 0.746 0.925 0.701 CB 1.779 108 residues pruned to eliminate duplicates Z: 156 91.146 2.286 0.755 0.657 0.923 0.684 CB 1.709 132 residues pruned to eliminate duplicates Z: 32 69.522 2.349 0.914 0.942 1.000 0.871 CA 1.925 32 residues pruned to eliminate duplicates Z: 94 89.425 2.329 0.819 0.775 0.957 0.763 CB 1.793 94 residues pruned to eliminate duplicates Z: 73 73.140 2.331 0.759 0.743 0.944 0.778 CB 1.790 73 residues pruned to eliminate duplicates Z: 53 68.048 2.355 0.855 0.744 0.962 0.692 CB 1.807 53 residues pruned to eliminate duplicates Z: 96 95.321 2.327 0.909 0.772 0.958 0.789 CB 1.807 96 residues pruned to eliminate duplicates Z: 78 87.851 2.339 0.978 0.749 0.974 0.740 CB 1.779 78 residues pruned to eliminate duplicates Z: 93 90.408 2.350 0.815 0.784 0.967 0.793 CB 1.778 93 residues pruned to eliminate duplicates Z: 103 87.312 2.334 0.792 0.755 0.941 0.735 CB 1.749 103 residues pruned to eliminate duplicates Z: 93 98.186 2.349 0.946 0.787 0.967 0.793 CB 1.799 93 residues pruned to eliminate duplicates Z: 70 72.105 2.325 0.786 0.745 0.942 0.812 CB 1.783 70 residues pruned to eliminate duplicates Z: 109 93.988 2.352 0.863 0.750 0.935 0.731 CB 1.766 109 residues pruned to eliminate duplicates Z: 11 19.166 2.505 0.684 0.515 0.900 0.800 CB 1.572 11 residues pruned to eliminate duplicates Z: 108 98.686 2.354 0.878 0.756 0.953 0.757 CB 1.802 108 residues pruned to eliminate duplicates Z: 93 94.759 2.336 0.932 0.770 0.967 0.663 CB 1.782 93 residues pruned to eliminate duplicates Z: 96 89.857 2.344 0.901 0.760 0.937 0.768 CB 1.752 96 residues pruned to eliminate duplicates Z: 70 74.482 2.345 0.763 0.761 0.971 0.754 CB 1.772 70 residues pruned to eliminate duplicates Z: 94 94.194 2.349 0.901 0.767 0.957 0.753 CB 1.804 94 residues pruned to eliminate duplicates Z: 98 71.850 2.311 0.726 0.665 0.918 0.660 CB 1.711 98 residues pruned to eliminate duplicates Z: 27 42.183 2.413 0.846 0.714 0.923 0.808 CB 1.657 27 residues pruned to eliminate duplicates Z: 93 98.541 2.348 0.986 0.773 0.967 0.750 CB 1.789 93 residues pruned to eliminate duplicates Z: 69 74.369 2.347 0.770 0.772 0.956 0.750 CB 1.786 69 residues pruned to eliminate duplicates Z: 96 95.538 2.359 0.893 0.765 0.968 0.737 CB 1.792 96 residues pruned to eliminate duplicates Z: 96 93.287 2.334 0.952 0.770 0.937 0.747 CB 1.766 96 residues pruned to eliminate duplicates Z: 99 93.732 2.348 0.897 0.747 0.949 0.735 CB 1.796 99 residues pruned to eliminate duplicates Z: 42 53.623 2.405 0.776 0.687 0.951 0.585 CB 1.737 42 residues pruned to eliminate duplicates Z: 95 92.264 2.304 0.959 0.756 0.947 0.713 CB 1.773 95 residues pruned to eliminate duplicates Z: 76 77.456 2.350 0.792 0.741 0.960 0.787 CB 1.782 76 residues pruned to eliminate duplicates Z: 42 46.548 2.408 0.677 0.642 0.878 0.683 CB 1.795 42 residues pruned to eliminate duplicates Z: 95 91.793 2.312 0.912 0.750 0.957 0.745 CB 1.790 95 residues pruned to eliminate duplicates Z: 93 99.080 2.338 0.969 0.780 0.967 0.739 CB 1.812 93 residues pruned to eliminate duplicates Z: 104 82.007 2.310 0.782 0.692 0.951 0.660 CB 1.732 104 residues pruned to eliminate duplicates Z: 27 48.116 2.403 1.000 0.685 0.962 0.692 CB 1.724 27 residues pruned to eliminate duplicates Z: 70 78.113 2.339 0.819 0.750 0.986 0.754 CB 1.795 70 residues pruned to eliminate duplicates Z: 29 33.042 2.191 0.799 0.653 0.857 0.679 CB 1.604 29 residues pruned to eliminate duplicates Z: 122 85.908 2.318 0.769 0.693 0.917 0.686 CB 1.740 122 residues pruned to eliminate duplicates Z: 101 95.055 2.339 0.973 0.748 0.940 0.690 CB 1.756 101 residues pruned to eliminate duplicates Z: 110 94.404 2.333 0.918 0.743 0.927 0.697 CB 1.755 110 residues pruned to eliminate duplicates Z: 9 7.659 2.099 0.723 0.341 0.750 0.500 CB 1.187 9 residues pruned to eliminate duplicates Z: 45 49.725 2.440 0.728 0.675 0.886 0.591 CB 1.707 45 residues pruned to eliminate duplicates Z: 16 22.203 2.148 0.499 0.622 1.000 0.600 CB 1.588 16 residues pruned to eliminate duplicates Z: 109 95.268 2.336 0.937 0.726 0.944 0.741 CB 1.749 109 residues pruned to eliminate duplicates Z: 18 19.318 2.250 0.456 0.564 0.824 0.294 CB 1.632 18 residues pruned to eliminate duplicates Z: 11 21.982 2.398 0.473 0.677 0.900 0.400 CB 1.859 11 residues pruned to eliminate duplicates Z: 17 18.706 2.078 0.713 0.548 0.875 0.438 CB 1.432 17 residues pruned to eliminate duplicates Z: 11 14.239 2.147 0.651 0.536 0.800 0.400 C 1.532 11 residues pruned to eliminate duplicates Z: 82 80.441 2.274 0.938 0.720 0.951 0.679 CB 1.748 82 residues pruned to eliminate duplicates Z: 11 21.372 2.259 0.751 0.528 0.900 0.300 CA 1.847 11 residues pruned to eliminate duplicates Z: 24 26.569 2.258 0.477 0.505 0.913 0.609 C 1.811 24 residues pruned to eliminate duplicates Z: 22 22.443 2.267 0.473 0.492 0.857 0.667 CB 1.725 22 residues pruned to eliminate duplicates Z: 14 13.382 2.306 0.064 0.505 0.923 0.692 CB 1.630 14 residues pruned to eliminate duplicates Z: 23 23.806 2.339 0.356 0.518 0.864 0.727 CB 1.821 23 residues pruned to eliminate duplicates Z: 23 24.014 2.285 0.509 0.480 0.818 0.455 C 1.851 23 residues pruned to eliminate duplicates Z: 155 107.154 2.337 0.816 0.695 0.942 0.714 CB 1.807 161 residues pruned to eliminate duplicates Z: 20 17.794 2.009 0.758 0.389 0.895 0.474 CB 1.453 20 residues pruned to eliminate duplicates Z: 35 28.769 2.218 0.618 0.459 0.853 0.588 CB 1.681 35 residues pruned to eliminate duplicates Z: 57 69.256 2.402 0.841 0.651 0.982 0.732 CB 1.851 57 residues pruned to eliminate duplicates Z: 21 27.795 2.397 0.533 0.495 0.900 0.650 CB 1.889 21 residues pruned to eliminate duplicates Z: 26 33.754 2.318 0.465 0.580 0.960 0.760 CB 1.916 26 residues pruned to eliminate duplicates Z: 45 56.852 2.380 0.899 0.611 0.955 0.682 CB 1.787 45 residues pruned to eliminate duplicates Z: 22 23.746 2.163 0.575 0.520 0.905 0.619 CB 1.648 22 residues pruned to eliminate duplicates Z: 47 67.515 2.388 0.924 0.652 1.000 0.630 CB 1.880 47 residues pruned to eliminate duplicates Z: 46 62.837 2.389 0.879 0.644 1.000 0.622 CB 1.824 46 residues pruned to eliminate duplicates Z: 45 67.748 2.436 0.988 0.646 0.955 0.705 CB 1.929 45 residues pruned to eliminate duplicates Z: 54 61.315 2.388 0.825 0.611 0.925 0.698 CB 1.882 54 residues pruned to eliminate duplicates Z: 152 119.521 2.354 0.971 0.720 0.934 0.695 CB 1.841 152 residues pruned to eliminate duplicates Z: 47 57.620 2.353 0.870 0.628 0.957 0.717 CB 1.788 47 residues pruned to eliminate duplicates Z: 48 64.284 2.344 0.961 0.641 1.000 0.660 CB 1.789 48 residues pruned to eliminate duplicates Z: 36 64.273 2.406 1.172 0.672 0.943 0.714 CB 1.881 36 residues pruned to eliminate duplicates Z: 56 62.521 2.375 0.924 0.615 0.909 0.655 CB 1.820 56 residues pruned to eliminate duplicates Z: 46 66.325 2.409 0.911 0.664 1.000 0.711 CB 1.844 46 residues pruned to eliminate duplicates Z: 55 57.372 2.353 0.725 0.610 0.944 0.685 CB 1.835 55 residues pruned to eliminate duplicates Z: 33 36.645 2.218 0.750 0.565 0.938 0.562 CB 1.672 33 residues pruned to eliminate duplicates Z: 46 55.198 2.345 0.931 0.588 0.933 0.622 CB 1.790 46 residues pruned to eliminate duplicates Z: 53 57.147 2.367 0.781 0.606 0.942 0.615 CB 1.803 53 residues pruned to eliminate duplicates Z: 46 63.644 2.413 0.931 0.634 0.978 0.689 CB 1.836 46 residues pruned to eliminate duplicates Z: 54 66.476 2.410 0.960 0.616 0.962 0.736 CB 1.800 54 residues pruned to eliminate duplicates Z: 55 60.799 2.348 0.850 0.609 0.944 0.648 CB 1.819 55 residues pruned to eliminate duplicates Z: 46 67.467 2.423 0.941 0.624 1.000 0.689 CB 1.902 46 residues pruned to eliminate duplicates Z: 56 63.449 2.394 0.904 0.595 0.927 0.618 CB 1.848 56 residues pruned to eliminate duplicates Z: 84 77.289 2.412 0.836 0.646 0.916 0.627 CB 1.826 84 residues pruned to eliminate duplicates Z: 46 63.579 2.400 0.966 0.621 0.978 0.689 CB 1.833 46 residues pruned to eliminate duplicates Z: 45 70.136 2.432 1.051 0.651 1.000 0.727 CB 1.842 45 residues pruned to eliminate duplicates Z: 55 66.442 2.387 0.932 0.616 0.963 0.704 CB 1.824 55 residues pruned to eliminate duplicates Z: 49 58.982 2.324 0.959 0.610 0.958 0.667 CB 1.757 49 residues pruned to eliminate duplicates Z: 56 58.791 2.332 0.862 0.604 0.927 0.709 CB 1.782 56 residues pruned to eliminate duplicates Z: 55 57.948 2.339 0.806 0.597 0.944 0.704 CB 1.802 55 residues pruned to eliminate duplicates Z: 127 101.029 2.383 0.802 0.693 0.960 0.683 CB 1.830 127 residues pruned to eliminate duplicates Z: 47 59.804 2.338 0.875 0.612 1.000 0.717 CB 1.810 47 residues pruned to eliminate duplicates Z: 45 69.621 2.443 0.965 0.646 1.000 0.682 CB 1.908 45 residues pruned to eliminate duplicates Z: 45 71.529 2.455 0.960 0.663 1.000 0.727 CB 1.928 45 residues pruned to eliminate duplicates Z: 48 59.575 2.330 0.920 0.630 0.957 0.660 CB 1.796 48 residues pruned to eliminate duplicates Z: 83 81.082 2.367 0.858 0.661 0.915 0.659 CB 1.917 83 residues pruned to eliminate duplicates Z: 58 54.791 2.301 0.757 0.589 0.895 0.614 CB 1.842 58 residues pruned to eliminate duplicates Z: 47 58.534 2.325 0.788 0.628 0.978 0.630 CB 1.881 47 residues pruned to eliminate duplicates Z: 32 42.645 2.268 0.658 0.734 0.903 0.677 CA 1.828 32 residues pruned to eliminate duplicates Z: 11 11.635 2.061 0.354 0.481 0.900 0.700 CB 1.494 11 residues pruned to eliminate duplicates Z: 50 38.222 2.185 0.547 0.573 0.878 0.612 CB 1.716 51 residues pruned to eliminate duplicates Z: 28 33.912 2.238 0.399 0.788 0.889 0.704 CA 1.821 28 residues pruned to eliminate duplicates Z: 51 37.962 2.177 0.562 0.565 0.880 0.660 CB 1.685 51 residues pruned to eliminate duplicates Z: 41 36.026 2.194 0.480 0.644 0.875 0.600 CB 1.753 41 residues pruned to eliminate duplicates Z: 38 44.677 2.255 0.599 0.689 0.946 0.649 CB 1.810 38 residues pruned to eliminate duplicates Z: 39 35.482 2.173 0.622 0.640 0.895 0.605 CB 1.601 39 residues pruned to eliminate duplicates Z: 40 43.294 2.220 0.607 0.650 0.949 0.538 CB 1.780 39 residues pruned to eliminate duplicates Z: 12 13.308 2.052 0.342 0.614 0.818 0.545 CA 1.598 12 residues pruned to eliminate duplicates Z: 58 37.501 2.158 0.537 0.546 0.877 0.667 CB 1.632 58 residues pruned to eliminate duplicates Z: 22 46.124 2.363 0.715 0.842 0.952 0.667 CA 1.943 22 residues pruned to eliminate duplicates Z: 33 43.072 2.271 0.607 0.720 0.969 0.719 CB 1.766 33 residues pruned to eliminate duplicates Z: 51 34.521 2.146 0.459 0.568 0.860 0.680 CB 1.697 51 residues pruned to eliminate duplicates Z: 30 44.967 2.304 0.613 0.733 0.966 0.690 CB 1.887 30 residues pruned to eliminate duplicates Z: 35 42.577 2.245 0.534 0.720 0.971 0.794 CB 1.790 35 residues pruned to eliminate duplicates Z: 64 47.033 2.192 0.594 0.593 0.889 0.619 C 1.746 64 residues pruned to eliminate duplicates Z: 40 43.191 2.258 0.607 0.649 0.923 0.615 CA 1.796 40 residues pruned to eliminate duplicates Z: 39 38.179 2.205 0.608 0.653 0.921 0.711 CB 1.644 39 residues pruned to eliminate duplicates Z: 33 46.727 2.294 0.698 0.731 0.938 0.656 CB 1.837 33 residues pruned to eliminate duplicates Z: 53 39.048 2.165 0.614 0.590 0.885 0.615 CB 1.606 53 residues pruned to eliminate duplicates Z: 53 39.108 2.151 0.581 0.583 0.904 0.673 CB 1.629 53 residues pruned to eliminate duplicates Z: 40 36.912 2.136 0.681 0.572 0.923 0.590 CB 1.664 40 residues pruned to eliminate duplicates Z: 53 40.609 2.146 0.673 0.588 0.904 0.712 CB 1.595 52 residues pruned to eliminate duplicates Z: 20 33.369 2.289 0.599 0.800 0.895 0.789 CA 1.798 20 residues pruned to eliminate duplicates Z: 52 38.172 2.116 0.516 0.574 0.961 0.627 CB 1.614 52 residues pruned to eliminate duplicates Z: 7 6.410 1.794 0.370 0.548 0.833 0.500 CA 1.219 7 residues pruned to eliminate duplicates Z: 21 14.670 1.933 0.556 0.382 0.900 0.700 CB 1.373 21 residues pruned to eliminate duplicates Z: 38 35.095 2.135 0.675 0.586 0.892 0.568 CB 1.666 38 residues pruned to eliminate duplicates Z: 20 11.113 1.906 0.474 0.389 0.789 0.474 CB 1.293 20 residues pruned to eliminate duplicates Z: 51 34.752 2.031 0.605 0.537 0.900 0.540 CB 1.615 51 residues pruned to eliminate duplicates Z: 53 38.082 2.166 0.574 0.571 0.904 0.654 CB 1.600 53 residues pruned to eliminate duplicates Z: 20 13.718 1.910 0.560 0.387 0.895 0.579 CB 1.332 20 residues pruned to eliminate duplicates Z: 52 39.566 2.161 0.590 0.569 0.922 0.667 CB 1.636 52 residues pruned to eliminate duplicates Z: 47 43.785 2.207 0.658 0.629 0.913 0.674 CB 1.711 47 residues pruned to eliminate duplicates Z: 54 39.415 2.147 0.568 0.568 0.925 0.623 CB 1.629 54 residues pruned to eliminate duplicates Z: 22 11.407 1.927 0.315 0.361 0.857 0.571 CB 1.332 22 residues pruned to eliminate duplicates Z: 43 38.460 2.138 0.647 0.550 0.929 0.571 CB 1.728 43 residues pruned to eliminate duplicates Z: 19 16.442 2.019 0.552 0.406 0.944 0.556 CB 1.445 20 residues pruned to eliminate duplicates Z: 6 5.982 1.840 0.190 0.650 1.000 0.800 CB 1.062 6 residues pruned to eliminate duplicates Z: 59 31.789 2.053 0.533 0.525 0.862 0.603 CB 1.502 59 residues pruned to eliminate duplicates Z: 12 10.627 1.828 0.433 0.399 1.000 0.636 CB 1.361 12 residues pruned to eliminate duplicates Z: 21 15.579 1.926 0.495 0.379 1.000 0.700 CB 1.377 21 residues pruned to eliminate duplicates Z: 38 45.623 2.042 0.726 0.779 1.000 0.676 CB 1.664 38 residues pruned to eliminate duplicates Z: 28 38.997 2.099 0.760 0.742 0.926 0.741 C 1.767 28 residues pruned to eliminate duplicates Z: 36 46.642 2.093 0.646 0.827 1.000 0.571 CB 1.724 36 residues pruned to eliminate duplicates Z: 26 46.585 2.171 0.864 0.762 1.000 0.760 C 1.824 26 residues pruned to eliminate duplicates Z: 36 51.828 2.108 0.785 0.833 1.000 0.714 CB 1.747 36 residues pruned to eliminate duplicates Z: 37 44.697 2.072 0.605 0.804 1.000 0.806 CB 1.719 37 residues pruned to eliminate duplicates Z: 37 52.285 2.078 0.874 0.810 1.000 0.667 CB 1.708 37 residues pruned to eliminate duplicates Z: 20 42.905 2.195 0.980 0.898 0.947 0.684 CB 1.710 20 residues pruned to eliminate duplicates Z: 37 47.982 2.073 0.757 0.787 1.000 0.583 CB 1.706 37 residues pruned to eliminate duplicates Z: 36 50.435 2.121 0.763 0.816 1.000 0.657 CB 1.732 36 residues pruned to eliminate duplicates Z: 31 40.940 2.052 0.783 0.885 0.933 0.733 CB 1.580 31 residues pruned to eliminate duplicates Z: 37 48.806 2.091 0.781 0.790 1.000 0.583 CB 1.693 37 residues pruned to eliminate duplicates Z: 38 44.631 2.021 0.812 0.783 0.946 0.622 CB 1.652 38 residues pruned to eliminate duplicates Z: 37 48.281 2.075 0.689 0.819 1.000 0.611 CB 1.741 37 residues pruned to eliminate duplicates Z: 36 49.600 2.111 0.825 0.813 0.971 0.657 CB 1.706 36 residues pruned to eliminate duplicates Z: 37 48.839 2.084 0.786 0.802 1.000 0.667 CB 1.679 37 residues pruned to eliminate duplicates Z: 36 47.985 2.106 0.767 0.811 0.971 0.657 CB 1.711 36 residues pruned to eliminate duplicates Z: 36 49.263 2.120 0.746 0.804 1.000 0.657 CB 1.725 36 residues pruned to eliminate duplicates Z: 32 41.473 2.011 0.736 0.849 0.968 0.645 CB 1.635 32 residues pruned to eliminate duplicates Z: 36 45.236 2.104 0.623 0.816 1.000 0.714 CB 1.701 36 residues pruned to eliminate duplicates Z: 37 45.699 2.065 0.727 0.792 0.972 0.611 CB 1.700 37 residues pruned to eliminate duplicates Z: 36 48.292 2.101 0.722 0.816 1.000 0.800 CB 1.715 36 residues pruned to eliminate duplicates Z: 37 48.405 2.076 0.782 0.788 1.000 0.667 CB 1.693 37 residues pruned to eliminate duplicates Z: 37 47.062 2.083 0.723 0.789 1.000 0.722 CB 1.695 37 residues pruned to eliminate duplicates Z: 36 48.695 2.106 0.731 0.798 1.000 0.714 CB 1.740 36 residues pruned to eliminate duplicates Z: 38 45.554 2.044 0.710 0.777 1.000 0.649 CB 1.677 38 residues pruned to eliminate duplicates Z: 31 43.047 2.084 0.711 0.881 0.967 0.767 CB 1.650 31 residues pruned to eliminate duplicates Z: 37 45.859 2.071 0.698 0.787 1.000 0.639 CB 1.688 37 residues pruned to eliminate duplicates Z: 26 45.666 2.136 0.925 0.821 0.960 0.720 CB 1.752 26 residues pruned to eliminate duplicates Z: 32 45.815 2.139 0.722 0.754 1.000 0.710 CB 1.781 32 residues pruned to eliminate duplicates Z: 6 3.886 1.352 0.423 0.379 1.000 1.000 CA 1.028 6 residues pruned to eliminate duplicates Z: 44 62.439 2.368 0.919 0.656 0.953 0.721 CB 1.901 44 residues pruned to eliminate duplicates Z: 43 58.908 2.387 0.804 0.686 0.952 0.714 CB 1.869 43 residues pruned to eliminate duplicates Z: 44 59.421 2.363 0.747 0.674 0.977 0.698 CB 1.913 44 residues pruned to eliminate duplicates Z: 44 56.852 2.366 0.717 0.667 0.953 0.581 CB 1.917 44 residues pruned to eliminate duplicates Z: 43 56.941 2.411 0.666 0.671 0.976 0.810 CB 1.913 43 residues pruned to eliminate duplicates Z: 29 40.941 2.274 0.805 0.677 0.893 0.643 C 1.794 29 residues pruned to eliminate duplicates Z: 43 61.315 2.376 0.869 0.684 0.952 0.667 CB 1.889 43 residues pruned to eliminate duplicates Z: 30 45.173 2.319 0.730 0.683 0.931 0.690 CB 1.898 30 residues pruned to eliminate duplicates Z: 43 62.995 2.369 0.843 0.684 0.976 0.643 CB 1.927 43 residues pruned to eliminate duplicates Z: 83 62.131 2.193 0.650 0.641 0.951 0.659 CB 1.747 83 residues pruned to eliminate duplicates Z: 43 59.395 2.411 0.730 0.677 0.952 0.690 CB 1.961 43 residues pruned to eliminate duplicates Z: 29 48.240 2.379 0.765 0.694 0.929 0.607 CB 1.959 29 residues pruned to eliminate duplicates Z: 30 49.300 2.322 0.867 0.692 0.931 0.759 CB 1.903 30 residues pruned to eliminate duplicates Z: 28 47.328 2.434 0.667 0.711 0.926 0.556 C 2.003 28 residues pruned to eliminate duplicates Z: 43 60.931 2.421 0.735 0.682 0.976 0.643 CB 1.940 43 residues pruned to eliminate duplicates Z: 45 52.660 2.318 0.753 0.655 0.932 0.682 CB 1.816 45 residues pruned to eliminate duplicates Z: 36 48.689 2.309 0.805 0.628 0.943 0.629 CB 1.857 36 residues pruned to eliminate duplicates Z: 28 38.327 2.344 0.606 0.661 0.926 0.630 CB 1.822 28 residues pruned to eliminate duplicates Z: 44 63.190 2.381 0.815 0.684 0.977 0.744 CB 1.928 44 residues pruned to eliminate duplicates Z: 37 43.342 2.165 0.785 0.603 0.972 0.611 CB 1.743 37 residues pruned to eliminate duplicates Z: 43 57.252 2.375 0.765 0.637 0.976 0.667 CB 1.899 43 residues pruned to eliminate duplicates Z: 43 60.984 2.411 0.824 0.674 0.952 0.762 CB 1.914 43 residues pruned to eliminate duplicates Z: 56 54.930 2.304 0.689 0.620 0.964 0.727 CB 1.764 56 residues pruned to eliminate duplicates Z: 44 64.755 2.381 0.858 0.677 0.977 0.651 CB 1.941 44 residues pruned to eliminate duplicates Z: 43 65.155 2.407 0.952 0.673 0.952 0.714 CB 1.915 43 residues pruned to eliminate duplicates Z: 45 57.384 2.328 0.809 0.643 0.955 0.659 CB 1.883 45 residues pruned to eliminate duplicates Z: 43 64.420 2.395 0.888 0.677 0.976 0.786 CB 1.913 43 residues pruned to eliminate duplicates Z: 103 75.621 2.282 0.865 0.578 0.951 0.676 CB 1.716 103 residues pruned to eliminate duplicates Z: 42 67.248 2.454 0.900 0.701 0.951 0.780 CB 1.971 42 residues pruned to eliminate duplicates Z: 16 33.767 2.254 1.000 0.646 0.933 0.733 CB 1.808 16 residues pruned to eliminate duplicates Z: 16 32.570 2.298 0.947 0.652 0.867 0.800 CB 1.882 16 residues pruned to eliminate duplicates Z: 45 60.789 2.351 0.914 0.655 0.932 0.659 CB 1.892 45 residues pruned to eliminate duplicates Z: 44 56.909 2.353 0.796 0.656 0.930 0.721 CB 1.910 44 residues pruned to eliminate duplicates Z: 43 62.092 2.395 0.826 0.676 0.952 0.738 CB 1.957 43 residues pruned to eliminate duplicates Z: 43 58.998 2.384 0.864 0.673 0.929 0.714 CB 1.881 43 residues pruned to eliminate duplicates Z: 42 64.052 2.434 0.895 0.662 0.951 0.707 CB 1.963 42 residues pruned to eliminate duplicates Z: 44 59.091 2.388 0.810 0.660 0.930 0.651 CB 1.932 44 residues pruned to eliminate duplicates Z: 42 65.473 2.413 0.964 0.671 0.951 0.683 CB 1.937 42 residues pruned to eliminate duplicates Z: 76 63.180 2.301 0.824 0.613 0.933 0.680 CB 1.673 76 residues pruned to eliminate duplicates Z: 74 71.245 2.344 0.903 0.631 0.945 0.726 CB 1.750 74 residues pruned to eliminate duplicates Z: 18 16.208 2.060 0.553 0.515 0.941 0.647 CB 1.286 18 residues pruned to eliminate duplicates Z: 34 41.526 2.176 0.909 0.603 1.000 0.697 CB 1.577 34 residues pruned to eliminate duplicates Z: 76 69.639 2.310 0.884 0.628 0.960 0.693 CB 1.707 76 residues pruned to eliminate duplicates Z: 142 81.277 2.200 0.766 0.620 0.957 0.695 CB 1.643 142 residues pruned to eliminate duplicates Z: 6 3.077 1.341 0.298 0.648 0.800 0.400 CB 0.861 6 residues pruned to eliminate duplicates Z: 36 35.518 2.128 0.927 0.557 0.943 0.743 CB 1.469 36 residues pruned to eliminate duplicates Z: 57 48.293 2.172 0.903 0.493 0.964 0.607 CB 1.630 57 residues pruned to eliminate duplicates Z: 74 71.226 2.331 0.859 0.648 0.959 0.740 CB 1.747 74 residues pruned to eliminate duplicates Z: 42 46.215 2.230 0.979 0.603 0.976 0.683 CB 1.520 42 residues pruned to eliminate duplicates Z: 29 41.507 2.262 1.126 0.589 0.929 0.571 CB 1.614 29 residues pruned to eliminate duplicates Z: 34 40.608 2.148 1.011 0.626 0.970 0.697 CB 1.498 34 residues pruned to eliminate duplicates Z: 29 43.075 2.233 1.139 0.567 0.964 0.643 CB 1.657 29 residues pruned to eliminate duplicates Z: 68 51.983 2.204 0.866 0.554 0.955 0.687 CB 1.534 68 residues pruned to eliminate duplicates Z: 61 48.881 2.152 1.007 0.499 0.967 0.600 CB 1.513 61 residues pruned to eliminate duplicates Z: 71 50.310 2.178 0.854 0.517 0.943 0.629 CB 1.553 71 residues pruned to eliminate duplicates Z: 75 74.699 2.335 0.921 0.644 0.973 0.743 CB 1.739 75 residues pruned to eliminate duplicates Z: 64 43.670 2.142 0.816 0.492 0.937 0.667 CB 1.522 64 residues pruned to eliminate duplicates Z: 34 44.743 2.257 1.062 0.610 1.000 0.788 CB 1.509 34 residues pruned to eliminate duplicates Z: 34 40.308 2.242 0.978 0.572 1.000 0.697 CB 1.477 34 residues pruned to eliminate duplicates Z: 75 70.653 2.315 0.882 0.643 0.986 0.743 CB 1.672 75 residues pruned to eliminate duplicates Z: 91 65.902 2.241 0.868 0.571 0.922 0.633 CB 1.679 91 residues pruned to eliminate duplicates Z: 63 49.342 2.175 0.894 0.512 0.968 0.710 CB 1.554 63 residues pruned to eliminate duplicates Z: 76 70.250 2.310 0.944 0.626 0.960 0.667 CB 1.671 76 residues pruned to eliminate duplicates Z: 175 97.574 2.268 0.765 0.640 0.954 0.770 CB 1.699 175 residues pruned to eliminate duplicates Z: 61 51.948 2.190 0.948 0.533 0.967 0.783 CB 1.574 61 residues pruned to eliminate duplicates Z: 31 40.517 2.147 1.162 0.542 0.967 0.667 CB 1.581 31 residues pruned to eliminate duplicates Z: 25 53.252 2.297 1.417 0.648 1.000 0.667 CB 1.705 25 residues pruned to eliminate duplicates Z: 32 45.808 2.257 1.098 0.634 0.968 0.645 CB 1.583 32 residues pruned to eliminate duplicates Z: 63 46.020 2.142 0.903 0.473 0.935 0.661 CB 1.574 63 residues pruned to eliminate duplicates Z: 113 70.905 2.217 0.901 0.528 0.938 0.670 CB 1.649 113 residues pruned to eliminate duplicates Z: 202 110.060 2.325 0.754 0.658 0.950 0.731 CB 1.731 202 residues pruned to eliminate duplicates Z: 64 42.909 2.136 0.873 0.467 0.889 0.667 CB 1.572 64 residues pruned to eliminate duplicates Z: 65 48.999 2.107 0.970 0.518 0.969 0.688 CB 1.497 65 residues pruned to eliminate duplicates Z: 76 59.188 2.186 0.924 0.549 0.973 0.653 CB 1.592 76 residues pruned to eliminate duplicates Z: 63 48.600 2.178 0.865 0.524 0.952 0.694 CB 1.559 63 residues pruned to eliminate duplicates Z: 67 38.906 2.119 0.780 0.426 0.909 0.636 CB 1.508 67 residues pruned to eliminate duplicates Z: 55 54.556 2.218 1.077 0.530 0.963 0.648 CB 1.625 55 residues pruned to eliminate duplicates Z: 64 48.209 2.152 0.847 0.509 0.984 0.714 CB 1.539 64 residues pruned to eliminate duplicates Z: 186 92.267 2.298 0.706 0.623 0.919 0.665 CB 1.677 186 residues pruned to eliminate duplicates Z: 54 50.182 2.167 1.003 0.524 0.962 0.698 CB 1.612 54 residues pruned to eliminate duplicates Z: 38 21.732 2.034 0.617 0.323 0.865 0.595 CB 1.525 38 residues pruned to eliminate duplicates Z: 62 50.271 2.180 0.899 0.520 0.967 0.672 CB 1.576 62 residues pruned to eliminate duplicates Z: 62 50.154 2.166 0.950 0.519 0.967 0.639 CB 1.542 62 residues pruned to eliminate duplicates Z: 99 65.955 2.231 0.843 0.535 0.918 0.622 CB 1.704 99 residues pruned to eliminate duplicates Z: 91 70.502 2.243 0.913 0.592 0.967 0.711 CB 1.640 91 residues pruned to eliminate duplicates Z: 28 27.652 2.106 0.730 0.445 0.926 0.556 C 1.669 28 residues pruned to eliminate duplicates Z: 103 77.134 2.270 0.891 0.588 0.961 0.735 CB 1.703 103 residues pruned to eliminate duplicates Z: 27 32.070 2.151 0.807 0.474 0.962 0.731 CB 1.727 27 residues pruned to eliminate duplicates Z: 54 48.417 2.167 0.995 0.516 0.981 0.660 CB 1.543 54 residues pruned to eliminate duplicates Z: 217 102.119 2.245 0.741 0.607 0.963 0.667 CB 1.668 217 residues pruned to eliminate duplicates Z: 102 74.081 2.247 0.880 0.587 0.950 0.713 CB 1.689 102 residues pruned to eliminate duplicates Z: 186 91.317 2.266 0.725 0.614 0.941 0.681 CB 1.639 186 residues pruned to eliminate duplicates Z: 30 26.296 2.076 0.677 0.407 0.966 0.621 CB 1.601 30 residues pruned to eliminate duplicates Z: 53 51.057 2.209 0.898 0.539 1.000 0.692 CB 1.625 53 residues pruned to eliminate duplicates Z: 103 77.663 2.266 0.908 0.589 0.980 0.696 CB 1.666 103 residues pruned to eliminate duplicates Z: 72 46.001 2.145 0.832 0.482 0.930 0.592 CB 1.522 72 residues pruned to eliminate duplicates Z: 29 25.140 2.070 0.703 0.424 0.893 0.607 CB 1.634 29 residues pruned to eliminate duplicates Z: 54 48.184 2.153 0.944 0.503 0.981 0.660 CB 1.608 54 residues pruned to eliminate duplicates Z: 73 46.654 2.159 0.843 0.477 0.944 0.653 CB 1.498 73 residues pruned to eliminate duplicates Z: 128 77.610 2.313 0.615 0.647 0.937 0.732 CB 1.715 128 residues pruned to eliminate duplicates Z: 72 46.765 2.151 0.844 0.487 0.930 0.662 CB 1.525 72 residues pruned to eliminate duplicates Z: 76 60.073 2.278 0.623 0.729 0.907 0.747 CB 1.683 76 residues pruned to eliminate duplicates Z: 9 2.875 2.009 -0.146 0.280 0.625 0.250 CB 1.215 9 residues pruned to eliminate duplicates Z: 15 5.617 1.783 0.200 0.270 0.714 0.429 CB 1.276 15 residues pruned to eliminate duplicates Z: 58 38.033 2.095 0.741 0.486 0.895 0.649 CB 1.565 58 residues pruned to eliminate duplicates Z: 113 83.333 2.373 0.563 0.724 0.982 0.759 CB 1.766 113 residues pruned to eliminate duplicates Z: 10 6.510 2.025 0.474 0.231 0.889 0.444 CB 1.119 10 residues pruned to eliminate duplicates Z: 114 78.558 2.352 0.547 0.733 0.947 0.796 CB 1.739 114 residues pruned to eliminate duplicates Z: 77 76.230 2.409 0.642 0.766 0.974 0.829 CB 1.792 77 residues pruned to eliminate duplicates Z: 79 82.158 2.414 0.734 0.758 0.974 0.821 CB 1.814 79 residues pruned to eliminate duplicates Z: 92 90.088 2.422 0.655 0.787 0.989 0.879 CB 1.851 92 residues pruned to eliminate duplicates Z: 66 70.046 2.365 0.603 0.821 0.969 0.862 CB 1.790 66 residues pruned to eliminate duplicates Z: 25 49.792 2.428 0.956 0.831 0.958 0.792 CB 1.678 25 residues pruned to eliminate duplicates Z: 120 85.888 2.379 0.672 0.704 0.924 0.731 CB 1.778 120 residues pruned to eliminate duplicates Z: 79 76.474 2.384 0.737 0.747 0.949 0.821 CB 1.768 79 residues pruned to eliminate duplicates Z: 109 85.252 2.378 0.644 0.735 0.954 0.750 CB 1.782 109 residues pruned to eliminate duplicates Z: 101 86.074 2.382 0.710 0.757 0.940 0.810 CB 1.789 101 residues pruned to eliminate duplicates Z: 105 90.777 2.378 0.770 0.755 0.952 0.760 CB 1.770 105 residues pruned to eliminate duplicates Z: 152 97.221 2.283 0.834 0.662 0.947 0.748 CB 1.716 152 residues pruned to eliminate duplicates Z: 84 74.125 2.351 0.700 0.721 0.940 0.831 CB 1.773 84 residues pruned to eliminate duplicates Z: 139 80.510 2.253 0.609 0.702 0.949 0.746 CB 1.657 139 residues pruned to eliminate duplicates Z: 100 83.299 2.359 0.746 0.731 0.929 0.788 CB 1.777 100 residues pruned to eliminate duplicates Z: 113 91.313 2.348 0.780 0.735 0.964 0.705 CB 1.734 113 residues pruned to eliminate duplicates Z: 111 87.993 2.356 0.720 0.729 0.955 0.782 CB 1.765 111 residues pruned to eliminate duplicates Z: 106 84.020 2.362 0.717 0.723 0.933 0.743 CB 1.771 106 residues pruned to eliminate duplicates Z: 78 79.881 2.393 0.728 0.762 0.974 0.805 CB 1.792 78 residues pruned to eliminate duplicates Z: 66 78.810 2.355 0.803 0.822 0.969 0.862 CB 1.797 66 residues pruned to eliminate duplicates Z: 81 77.433 2.391 0.719 0.752 0.950 0.762 CB 1.771 81 residues pruned to eliminate duplicates Z: 106 85.610 2.360 0.734 0.761 0.924 0.752 CB 1.753 106 residues pruned to eliminate duplicates Z: 69 78.709 2.344 0.806 0.803 0.956 0.794 CB 1.810 69 residues pruned to eliminate duplicates Z: 85 70.460 2.357 0.564 0.715 0.940 0.726 CB 1.826 85 residues pruned to eliminate duplicates Z: 72 78.239 2.354 0.830 0.776 0.958 0.803 CB 1.763 72 residues pruned to eliminate duplicates Z: 105 74.342 2.305 0.700 0.643 0.942 0.769 CB 1.728 105 residues pruned to eliminate duplicates Z: 85 74.976 2.350 0.626 0.735 0.952 0.738 CB 1.820 85 residues pruned to eliminate duplicates Z: 72 70.360 2.358 0.565 0.777 0.944 0.789 CB 1.879 72 residues pruned to eliminate duplicates Z: 58 56.674 2.340 0.525 0.731 0.947 0.754 CB 1.804 58 residues pruned to eliminate duplicates Z: 69 74.760 2.381 0.649 0.761 0.971 0.824 CB 1.887 69 residues pruned to eliminate duplicates Z: 146 88.257 2.262 0.822 0.630 0.952 0.710 CB 1.653 146 residues pruned to eliminate duplicates Z: 98 73.978 2.297 0.745 0.730 0.918 0.711 CB 1.661 98 residues pruned to eliminate duplicates Z: 108 67.285 2.278 0.563 0.645 0.907 0.701 CB 1.760 108 residues pruned to eliminate duplicates Z: 65 84.660 2.395 0.881 0.824 0.984 0.828 CB 1.802 65 residues pruned to eliminate duplicates Z: 107 91.220 2.348 0.829 0.754 0.934 0.698 CB 1.761 107 residues pruned to eliminate duplicates Z: 56 64.404 2.315 0.711 0.734 0.964 0.764 CB 1.843 56 residues pruned to eliminate duplicates Z: 83 83.625 2.391 0.732 0.736 0.963 0.707 CB 1.872 83 residues pruned to eliminate duplicates Z: 109 92.672 2.384 0.779 0.743 0.954 0.722 CB 1.774 109 residues pruned to eliminate duplicates Z: 107 97.357 2.399 0.818 0.759 0.953 0.736 CB 1.807 107 residues pruned to eliminate duplicates Z: 86 75.092 2.335 0.779 0.715 0.929 0.729 CB 1.737 86 residues pruned to eliminate duplicates Z: 44 58.889 2.248 0.674 0.825 0.977 0.767 C 1.844 44 residues pruned to eliminate duplicates Z: 108 99.957 2.387 0.870 0.760 0.963 0.748 CB 1.784 108 residues pruned to eliminate duplicates Z: 79 86.251 2.392 0.837 0.758 0.974 0.744 CB 1.813 79 residues pruned to eliminate duplicates Z: 139 92.842 2.273 0.923 0.629 0.942 0.710 CB 1.701 139 residues pruned to eliminate duplicates Z: 93 98.839 2.401 0.925 0.782 0.957 0.793 CB 1.818 93 residues pruned to eliminate duplicates Z: 87 71.270 2.171 0.920 0.726 0.930 0.593 CB 1.615 87 residues pruned to eliminate duplicates Z: 79 95.181 2.387 0.987 0.770 0.974 0.705 CB 1.836 79 residues pruned to eliminate duplicates Z: 55 75.661 2.377 0.843 0.755 0.981 0.759 CB 1.908 55 residues pruned to eliminate duplicates Z: 105 99.872 2.376 0.899 0.777 0.952 0.731 CB 1.785 105 residues pruned to eliminate duplicates Z: 109 95.689 2.360 0.867 0.766 0.954 0.731 CB 1.730 109 residues pruned to eliminate duplicates Z: 66 78.917 2.311 1.075 0.785 0.923 0.738 CB 1.721 66 residues pruned to eliminate duplicates Z: 108 105.565 2.384 0.924 0.760 0.963 0.766 CB 1.834 108 residues pruned to eliminate duplicates Z: 55 71.955 2.355 0.829 0.745 0.981 0.648 CB 1.861 55 residues pruned to eliminate duplicates Z: 67 86.793 2.344 0.955 0.822 0.985 0.712 CB 1.791 67 residues pruned to eliminate duplicates Z: 72 87.729 2.335 1.019 0.783 0.972 0.761 CB 1.772 72 residues pruned to eliminate duplicates Z: 99 104.056 2.409 0.930 0.771 0.980 0.786 CB 1.815 99 residues pruned to eliminate duplicates Z: 53 72.662 2.323 0.867 0.740 0.981 0.712 CB 1.910 53 residues pruned to eliminate duplicates Z: 118 93.641 2.359 0.797 0.729 0.940 0.675 CB 1.768 118 residues pruned to eliminate duplicates Z: 100 99.102 2.404 0.922 0.759 0.949 0.697 CB 1.804 100 residues pruned to eliminate duplicates Z: 113 92.595 2.338 0.861 0.721 0.929 0.661 CB 1.775 113 residues pruned to eliminate duplicates Z: 70 82.424 2.361 0.888 0.759 0.957 0.725 CB 1.848 70 residues pruned to eliminate duplicates Z: 88 93.005 2.377 0.981 0.765 0.954 0.724 CB 1.755 88 residues pruned to eliminate duplicates Z: 87 79.976 2.335 0.802 0.704 0.953 0.605 CB 1.784 87 residues pruned to eliminate duplicates Z: 195 105.754 2.258 0.881 0.634 0.943 0.634 CB 1.671 195 residues pruned to eliminate duplicates Z: 110 101.179 2.350 0.901 0.753 0.982 0.716 CB 1.764 110 residues pruned to eliminate duplicates Z: 108 98.544 2.385 0.922 0.745 0.935 0.701 CB 1.785 108 residues pruned to eliminate duplicates Z: 84 78.679 2.365 0.762 0.725 0.928 0.687 CB 1.823 84 residues pruned to eliminate duplicates Z: 161 106.882 2.299 0.928 0.653 0.956 0.731 CB 1.730 161 residues pruned to eliminate duplicates Z: 173 101.674 2.277 0.778 0.694 0.948 0.640 CB 1.692 173 residues pruned to eliminate duplicates Z: 105 100.159 2.376 0.948 0.746 0.952 0.683 CB 1.788 105 residues pruned to eliminate duplicates Z: 127 94.124 2.328 0.806 0.738 0.937 0.714 CB 1.721 127 residues pruned to eliminate duplicates Z: 78 79.181 2.371 0.768 0.755 0.948 0.701 CB 1.810 78 residues pruned to eliminate duplicates Z: 103 88.978 2.344 0.901 0.732 0.922 0.696 CB 1.741 103 residues pruned to eliminate duplicates Z: 94 104.751 2.403 0.989 0.777 0.968 0.742 CB 1.840 94 residues pruned to eliminate duplicates Z: 98 101.355 2.373 0.982 0.762 0.959 0.732 CB 1.808 98 residues pruned to eliminate duplicates Z: 109 96.899 2.372 0.912 0.735 0.935 0.676 CB 1.781 109 residues pruned to eliminate duplicates Z: 106 99.226 2.371 0.923 0.761 0.943 0.686 CB 1.787 106 residues pruned to eliminate duplicates Z: 109 101.013 2.371 0.938 0.758 0.963 0.741 CB 1.746 109 residues pruned to eliminate duplicates Z: 76 78.076 2.290 0.902 0.720 0.947 0.667 CB 1.791 76 residues pruned to eliminate duplicates Z: 84 91.355 2.372 0.903 0.752 0.976 0.699 CB 1.818 84 residues pruned to eliminate duplicates Z: 128 96.640 2.301 0.877 0.732 0.945 0.654 CB 1.706 128 residues pruned to eliminate duplicates Z: 154 101.611 2.316 0.870 0.649 0.948 0.686 CB 1.742 154 residues pruned to eliminate duplicates Z: 129 82.200 2.252 0.765 0.656 0.922 0.641 CB 1.716 129 residues pruned to eliminate duplicates Z: 113 99.671 2.337 0.987 0.715 0.955 0.714 CB 1.747 113 residues pruned to eliminate duplicates Z: 43 48.229 2.359 0.779 0.647 0.905 0.619 CB 1.708 43 residues pruned to eliminate duplicates Z: 109 101.919 2.365 0.930 0.755 0.963 0.630 CB 1.779 109 residues pruned to eliminate duplicates Z: 125 96.592 2.317 0.911 0.694 0.944 0.653 CB 1.739 125 residues pruned to eliminate duplicates Z: 101 89.420 2.336 0.947 0.726 0.910 0.680 CB 1.762 101 residues pruned to eliminate duplicates Z: 102 107.644 2.395 1.045 0.766 0.960 0.762 CB 1.800 102 residues pruned to eliminate duplicates Z: 121 88.269 2.261 0.892 0.696 0.933 0.625 CB 1.688 121 residues pruned to eliminate duplicates Z: 96 104.013 2.380 0.981 0.781 0.968 0.779 CB 1.825 96 residues pruned to eliminate duplicates Z: 19 13.694 2.086 0.519 0.425 0.778 0.278 CB 1.416 19 residues pruned to eliminate duplicates Z: 18 17.783 2.141 0.655 0.485 0.824 0.353 CB 1.501 18 residues pruned to eliminate duplicates Z: 17 17.531 2.189 0.547 0.564 0.812 0.312 CB 1.498 17 residues pruned to eliminate duplicates Z: 107 103.418 2.391 0.970 0.763 0.962 0.736 CB 1.755 107 residues pruned to eliminate duplicates Z: 108 103.826 2.396 0.957 0.760 0.963 0.757 CB 1.764 108 residues pruned to eliminate duplicates Z: 125 91.831 2.342 0.821 0.692 0.911 0.710 CB 1.780 125 residues pruned to eliminate duplicates Z: 107 104.980 2.388 0.966 0.766 0.953 0.642 CB 1.801 107 residues pruned to eliminate duplicates Z: 17 11.665 2.018 0.305 0.531 0.812 0.438 CB 1.323 17 residues pruned to eliminate duplicates Z: 27 19.804 2.023 0.655 0.484 0.846 0.538 CB 1.393 27 residues pruned to eliminate duplicates Z: 55 39.646 2.178 0.489 0.602 0.926 0.593 CB 1.631 55 residues pruned to eliminate duplicates Z: 11 11.042 2.012 0.438 0.571 0.900 0.500 CB 1.252 11 residues pruned to eliminate duplicates Z: 56 41.966 2.146 0.568 0.604 0.945 0.655 CB 1.611 56 residues pruned to eliminate duplicates Z: 158 101.269 2.302 0.799 0.691 0.949 0.707 CB 1.727 158 residues pruned to eliminate duplicates Z: 24 26.309 2.285 0.288 0.594 0.913 0.696 CB 1.866 24 residues pruned to eliminate duplicates Z: 19 28.594 2.177 0.616 0.593 0.944 0.500 C 1.856 19 residues pruned to eliminate duplicates Z: 46 37.094 2.181 0.565 0.567 0.911 0.689 CB 1.666 46 residues pruned to eliminate duplicates Z: 54 44.370 2.193 0.612 0.621 0.906 0.679 CB 1.698 54 residues pruned to eliminate duplicates Z: 31 31.709 2.222 0.547 0.602 0.933 0.733 CB 1.638 31 residues pruned to eliminate duplicates Z: 46 42.025 2.225 0.574 0.618 0.933 0.711 CB 1.715 46 residues pruned to eliminate duplicates Z: 13 15.181 2.128 0.310 0.491 0.917 0.750 CB 1.729 13 residues pruned to eliminate duplicates Z: 15 17.660 2.108 0.525 0.501 0.857 0.714 CB 1.712 15 residues pruned to eliminate duplicates Z: 47 47.287 2.197 0.805 0.638 0.935 0.674 CB 1.652 47 residues pruned to eliminate duplicates Z: 47 47.055 2.187 0.796 0.631 0.935 0.696 CB 1.671 47 residues pruned to eliminate duplicates Z: 47 45.645 2.187 0.709 0.649 0.935 0.674 CB 1.676 47 residues pruned to eliminate duplicates Z: 16 25.361 2.133 0.867 0.600 0.933 0.467 CA 1.602 16 residues pruned to eliminate duplicates Z: 37 46.756 2.198 0.942 0.656 0.944 0.750 CB 1.673 37 residues pruned to eliminate duplicates Z: 41 45.320 2.163 0.811 0.633 0.950 0.700 CB 1.700 41 residues pruned to eliminate duplicates Z: 59 49.403 2.201 0.710 0.616 0.914 0.672 CB 1.689 59 residues pruned to eliminate duplicates Z: 36 51.016 2.223 0.889 0.679 1.000 0.771 CB 1.742 36 residues pruned to eliminate duplicates Z: 46 53.749 2.237 0.889 0.656 0.956 0.689 CB 1.716 46 residues pruned to eliminate duplicates Z: 36 38.602 2.144 0.742 0.643 0.943 0.686 CB 1.621 36 residues pruned to eliminate duplicates Z: 39 49.987 2.216 0.891 0.660 0.974 0.763 CB 1.713 39 residues pruned to eliminate duplicates Z: 38 43.218 2.164 0.800 0.658 0.973 0.784 CB 1.620 38 residues pruned to eliminate duplicates Z: 36 46.466 2.218 0.834 0.657 0.971 0.771 CB 1.717 36 residues pruned to eliminate duplicates Z: 35 39.672 2.161 0.771 0.638 0.971 0.794 CB 1.610 35 residues pruned to eliminate duplicates Z: 36 40.545 2.180 0.812 0.619 0.943 0.743 CB 1.646 36 residues pruned to eliminate duplicates Z: 36 49.093 2.230 0.910 0.678 0.971 0.771 CB 1.703 36 residues pruned to eliminate duplicates Z: 49 47.017 2.184 0.840 0.596 0.938 0.750 CB 1.644 49 residues pruned to eliminate duplicates Z: 26 40.903 2.194 0.867 0.724 0.960 0.720 CB 1.699 26 residues pruned to eliminate duplicates Z: 37 46.374 2.200 0.846 0.642 0.972 0.694 CB 1.714 37 residues pruned to eliminate duplicates Z: 33 39.577 2.196 0.754 0.644 0.969 0.750 CB 1.640 33 residues pruned to eliminate duplicates Z: 36 45.681 2.166 0.956 0.656 0.971 0.686 CB 1.622 36 residues pruned to eliminate duplicates Z: 36 43.367 2.158 0.926 0.659 0.943 0.771 CB 1.614 36 residues pruned to eliminate duplicates Z: 37 45.748 2.182 0.824 0.639 0.972 0.694 CA 1.729 37 residues pruned to eliminate duplicates Z: 46 52.827 2.203 0.923 0.636 0.978 0.667 CB 1.673 46 residues pruned to eliminate duplicates Z: 26 42.119 2.205 0.880 0.722 0.960 0.760 CB 1.731 26 residues pruned to eliminate duplicates Z: 37 50.203 2.188 1.096 0.650 0.944 0.722 CB 1.680 37 residues pruned to eliminate duplicates Z: 47 52.735 2.215 0.848 0.638 0.978 0.674 CB 1.707 47 residues pruned to eliminate duplicates Z: 36 48.933 2.227 0.901 0.667 0.971 0.714 CB 1.724 36 residues pruned to eliminate duplicates Z: 35 46.244 2.216 0.953 0.636 0.971 0.735 CB 1.662 35 residues pruned to eliminate duplicates Z: 38 47.713 2.185 1.048 0.644 0.946 0.757 CB 1.620 38 residues pruned to eliminate duplicates Z: 54 53.723 2.208 0.865 0.638 0.925 0.679 CB 1.704 54 residues pruned to eliminate duplicates Z: 37 39.768 2.153 0.986 0.645 0.861 0.667 CB 1.572 37 residues pruned to eliminate duplicates Z: 27 36.265 2.135 0.827 0.697 0.923 0.731 CB 1.650 27 residues pruned to eliminate duplicates Z: 46 45.490 2.227 0.736 0.597 0.956 0.644 CB 1.673 46 residues pruned to eliminate duplicates Z: 46 50.654 2.212 0.925 0.625 0.933 0.644 CB 1.689 46 residues pruned to eliminate duplicates Z: 41 37.625 2.058 0.788 0.567 0.950 0.550 CB 1.595 41 residues pruned to eliminate duplicates 684 residues left after pruning, divided into chains as follows: A: 8 B: 18 C: 24 D: 32 E: 73 F: 25 G: 7 H: 175 I: 27 J: 295 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 39.23 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.363, Connect. = 0.726 for dens.mod. cycle 1 = 0.300, Contrast = 0.417, Connect. = 0.750 for dens.mod. cycle 2 = 0.300, Contrast = 0.495, Connect. = 0.782 for dens.mod. cycle 3 = 0.300, Contrast = 0.503, Connect. = 0.783 for dens.mod. cycle 4 = 0.300, Contrast = 0.514, Connect. = 0.786 for dens.mod. cycle 5 = 0.300, Contrast = 0.521, Connect. = 0.787 for dens.mod. cycle 6 = 0.300, Contrast = 0.529, Connect. = 0.789 for dens.mod. cycle 7 = 0.300, Contrast = 0.535, Connect. = 0.790 for dens.mod. cycle 8 = 0.300, Contrast = 0.540, Connect. = 0.791 for dens.mod. cycle 9 = 0.300, Contrast = 0.544, Connect. = 0.792 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5448 peaks > 0.5 sigma used to seed fragment search Space for about 755 unique residues taking solvent into account 1037 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 38.140 2.272 0.828 0.837 0.889 0.667 CB 1.820 B: 19 37.741 2.284 0.692 0.812 1.000 0.667 CB 1.754 C: 19 39.397 2.353 0.688 0.891 0.944 0.667 C 1.779 D: 18 34.938 2.397 0.449 0.830 0.941 0.647 C 1.949 18 residues pruned to eliminate duplicates E: 18 36.975 2.350 0.592 0.831 1.000 0.765 CB 1.801 18 residues pruned to eliminate duplicates F: 13 22.576 2.238 0.323 0.846 0.917 0.750 CB 1.784 G: 15 14.395 2.009 0.828 0.425 0.857 0.500 CB 1.322 H: 18 37.261 2.426 0.425 0.881 1.000 0.765 CB 1.894 18 residues pruned to eliminate duplicates I: 13 24.349 2.090 0.568 0.820 0.917 0.667 CA 1.773 13 residues pruned to eliminate duplicates J: 18 41.414 2.378 0.737 0.856 1.000 0.647 CB 1.794 19 residues pruned to eliminate duplicates K: 19 36.079 2.230 0.669 0.862 0.944 0.611 CA 1.777 19 residues pruned to eliminate duplicates L: 19 38.964 2.244 0.666 0.918 1.000 0.833 C 1.732 18 residues pruned to eliminate duplicates M: 20 43.890 2.292 0.973 0.884 1.000 0.789 CB 1.609 N: 40 62.076 2.262 0.710 0.898 1.000 0.769 CB 1.837 O: 18 32.174 2.231 0.520 0.879 0.941 0.765 CB 1.773 18 residues pruned to eliminate duplicates P: 19 41.773 2.235 0.917 0.929 1.000 0.833 C 1.608 20 residues pruned to eliminate duplicates Q: 46 51.359 2.185 0.828 0.662 0.978 0.667 CB 1.688 15 residues pruned to eliminate duplicates R: 31 48.811 2.056 0.909 0.891 1.000 0.733 CB 1.632 S: 26 43.325 2.240 0.643 0.890 0.960 0.840 C 1.764 26 residues pruned to eliminate duplicates T: 22 51.689 2.344 1.081 0.937 1.000 0.905 CB 1.609 U: 19 41.069 2.401 0.571 0.867 1.000 0.444 CB 1.877 13 residues pruned to eliminate duplicates V: 19 40.958 2.433 0.541 0.868 1.000 0.722 CB 1.882 19 residues pruned to eliminate duplicates W: 22 55.578 2.323 1.008 0.957 1.000 0.857 CB 1.784 X: 24 48.902 2.211 0.905 0.909 0.957 0.870 CB 1.795 24 residues pruned to eliminate duplicates Y: 46 45.407 2.191 0.673 0.649 0.956 0.711 CB 1.682 46 residues pruned to eliminate duplicates Z: 21 37.969 2.243 0.801 0.888 0.950 0.700 CB 1.594 20 residues pruned to eliminate duplicates Z: 19 34.965 2.338 0.473 0.895 0.944 0.722 CB 1.816 19 residues pruned to eliminate duplicates Z: 31 41.922 2.072 0.693 0.878 0.967 0.633 CB 1.639 31 residues pruned to eliminate duplicates Z: 19 37.001 2.290 0.775 0.840 0.889 0.556 C 1.801 19 residues pruned to eliminate duplicates Z: 19 37.596 2.401 0.423 0.877 1.000 0.833 CA 1.883 19 residues pruned to eliminate duplicates Z: 16 33.759 1.998 0.962 0.887 1.000 0.933 CB 1.603 Z: 23 29.318 2.109 0.449 0.823 0.909 0.818 CA 1.700 Z: 95 94.352 2.358 0.945 0.777 0.947 0.745 CB 1.755 85 residues pruned to eliminate duplicates Z: 39 48.436 2.234 0.392 0.912 1.000 0.895 CA 1.789 Z: 8 17.227 2.164 0.366 0.785 1.000 0.714 CA 1.715 Z: 59 54.776 2.335 0.766 0.587 0.931 0.655 CB 1.724 18 residues pruned to eliminate duplicates Z: 19 32.006 2.284 0.630 0.832 0.889 0.667 CB 1.711 19 residues pruned to eliminate duplicates Z: 26 32.110 2.173 0.406 0.842 0.920 0.680 CB 1.702 23 residues pruned to eliminate duplicates Z: 19 42.425 2.423 0.576 0.874 1.000 0.778 CB 1.906 19 residues pruned to eliminate duplicates Z: 34 51.168 2.261 0.508 0.918 1.000 0.848 CB 1.842 35 residues pruned to eliminate duplicates Z: 18 43.348 2.318 0.887 0.920 1.000 0.824 C 1.692 18 residues pruned to eliminate duplicates Z: 35 63.492 2.303 0.820 0.910 0.971 0.765 CB 1.898 35 residues pruned to eliminate duplicates Z: 24 46.171 2.194 0.957 0.950 0.957 0.870 CB 1.616 23 residues pruned to eliminate duplicates Z: 18 45.795 2.371 0.830 0.895 1.000 0.529 C 1.835 18 residues pruned to eliminate duplicates Z: 18 38.188 2.451 0.438 0.867 1.000 0.647 CB 1.922 19 residues pruned to eliminate duplicates Z: 26 36.904 2.204 0.387 0.885 0.960 0.880 CB 1.816 26 residues pruned to eliminate duplicates Z: 23 45.620 2.254 0.810 0.946 0.955 0.909 CB 1.728 23 residues pruned to eliminate duplicates Z: 23 46.996 2.268 0.819 0.921 0.955 0.909 CB 1.790 23 residues pruned to eliminate duplicates Z: 22 48.333 2.244 0.930 0.945 1.000 0.905 CB 1.686 22 residues pruned to eliminate duplicates Z: 35 60.173 2.278 0.710 0.926 1.000 0.794 CB 1.858 35 residues pruned to eliminate duplicates Z: 19 42.101 2.274 0.769 0.927 1.000 0.889 CB 1.729 19 residues pruned to eliminate duplicates Z: 20 40.227 2.249 0.668 0.924 1.000 0.842 C 1.727 20 residues pruned to eliminate duplicates Z: 19 38.536 2.299 0.643 0.892 1.000 0.722 CB 1.728 19 residues pruned to eliminate duplicates Z: 20 44.665 2.256 0.821 0.891 1.000 0.789 CA 1.793 20 residues pruned to eliminate duplicates Z: 18 36.078 2.180 0.661 0.883 1.000 0.882 CB 1.747 18 residues pruned to eliminate duplicates Z: 19 41.407 2.228 0.969 0.905 0.889 0.833 CB 1.781 Z: 16 31.527 1.987 0.968 0.863 1.000 0.933 CB 1.527 16 residues pruned to eliminate duplicates Z: 7 7.378 2.208 -0.207 0.836 0.833 0.667 CB 1.546 7 residues pruned to eliminate duplicates Z: 9 12.626 2.010 0.553 0.735 0.750 0.625 CA 1.544 9 residues pruned to eliminate duplicates Z: 7 19.057 2.475 0.204 0.832 1.000 0.667 CA 1.959 7 residues pruned to eliminate duplicates Z: 19 42.792 2.427 0.565 0.875 1.000 0.722 CA 1.931 19 residues pruned to eliminate duplicates Z: 20 37.345 2.291 0.644 0.886 0.947 0.684 CB 1.732 20 residues pruned to eliminate duplicates Z: 79 84.786 2.304 0.982 0.749 0.949 0.731 CB 1.773 79 residues pruned to eliminate duplicates Z: 21 41.616 2.246 0.960 0.889 0.950 0.750 CB 1.601 21 residues pruned to eliminate duplicates Z: 44 56.256 2.395 0.752 0.681 0.907 0.767 CB 1.909 26 residues pruned to eliminate duplicates Z: 40 58.359 2.249 0.679 0.901 0.949 0.846 C 1.862 40 residues pruned to eliminate duplicates Z: 19 32.816 2.256 0.576 0.830 0.944 0.833 CB 1.732 19 residues pruned to eliminate duplicates Z: 20 30.415 2.222 0.778 0.814 0.842 0.632 CB 1.596 20 residues pruned to eliminate duplicates Z: 19 41.025 2.327 0.633 0.906 1.000 0.833 CB 1.810 19 residues pruned to eliminate duplicates Z: 52 50.980 2.309 0.623 0.584 0.961 0.686 CB 1.828 52 residues pruned to eliminate duplicates Z: 9 16.748 2.252 0.514 0.827 0.875 0.625 CB 1.496 9 residues pruned to eliminate duplicates Z: 8 21.495 2.306 0.382 0.901 1.000 0.857 CA 1.819 Z: 17 40.898 2.517 0.489 0.892 1.000 0.875 CB 1.960 17 residues pruned to eliminate duplicates Z: 37 63.262 2.239 0.915 0.892 0.972 0.667 C 1.816 37 residues pruned to eliminate duplicates Z: 18 36.266 2.318 0.811 0.891 0.824 0.765 C 1.829 18 residues pruned to eliminate duplicates Z: 21 26.248 2.155 0.472 0.878 0.900 0.800 CB 1.492 20 residues pruned to eliminate duplicates Z: 9 10.128 1.955 0.194 0.723 0.875 0.500 CB 1.433 9 residues pruned to eliminate duplicates Z: 9 17.888 1.988 0.458 0.896 1.000 0.875 CA 1.563 9 residues pruned to eliminate duplicates Z: 8 15.700 2.204 0.358 0.889 1.000 1.000 CA 1.428 8 residues pruned to eliminate duplicates Z: 35 63.698 2.288 0.784 0.936 1.000 0.824 C 1.863 35 residues pruned to eliminate duplicates Z: 15 39.711 2.108 1.039 0.921 1.000 0.857 CA 1.738 16 residues pruned to eliminate duplicates Z: 22 47.714 2.227 0.886 0.836 1.000 0.667 CB 1.855 22 residues pruned to eliminate duplicates Z: 33 38.399 1.980 0.695 0.885 0.969 0.750 CB 1.508 19 residues pruned to eliminate duplicates Z: 97 88.054 2.318 0.831 0.773 0.948 0.760 CB 1.756 87 residues pruned to eliminate duplicates Z: 23 41.354 2.230 0.916 0.943 1.000 0.909 CB 1.430 23 residues pruned to eliminate duplicates Z: 17 37.622 2.416 0.492 0.924 1.000 0.938 CB 1.832 17 residues pruned to eliminate duplicates Z: 29 45.866 2.392 0.672 0.702 0.929 0.821 CB 1.942 30 residues pruned to eliminate duplicates Z: 18 29.418 2.295 0.401 0.844 0.941 0.706 CB 1.754 18 residues pruned to eliminate duplicates Z: 39 68.393 2.321 0.801 0.882 1.000 0.711 CA 1.921 39 residues pruned to eliminate duplicates Z: 24 50.762 2.201 0.991 0.938 0.957 0.870 CB 1.755 24 residues pruned to eliminate duplicates Z: 11 17.500 2.109 0.556 0.848 0.800 0.700 CB 1.564 11 residues pruned to eliminate duplicates Z: 18 41.099 2.298 0.970 0.891 0.882 0.824 CB 1.794 18 residues pruned to eliminate duplicates Z: 8 18.602 2.213 0.507 0.875 0.857 0.857 C 1.789 8 residues pruned to eliminate duplicates Z: 18 33.913 2.312 0.645 0.869 0.882 0.647 CB 1.790 18 residues pruned to eliminate duplicates Z: 15 21.075 2.080 0.583 0.899 0.929 0.857 CB 1.317 15 residues pruned to eliminate duplicates Z: 25 36.168 2.251 0.466 0.873 0.917 0.792 CB 1.778 26 residues pruned to eliminate duplicates Z: 47 55.013 2.339 0.796 0.639 0.957 0.652 CB 1.772 47 residues pruned to eliminate duplicates Z: 18 48.670 2.388 0.868 0.902 1.000 0.706 CA 1.888 18 residues pruned to eliminate duplicates Z: 10 21.651 2.121 0.621 0.837 0.889 0.667 CA 1.766 10 residues pruned to eliminate duplicates Z: 41 65.239 2.261 0.800 0.894 1.000 0.850 CB 1.818 41 residues pruned to eliminate duplicates Z: 20 32.384 2.232 0.479 0.894 0.947 0.842 CB 1.704 19 residues pruned to eliminate duplicates Z: 35 62.310 2.238 0.866 0.936 0.971 0.765 CB 1.835 35 residues pruned to eliminate duplicates Z: 25 40.789 2.302 0.479 0.870 0.958 0.750 CA 1.863 25 residues pruned to eliminate duplicates Z: 8 17.182 2.229 0.346 0.887 0.857 0.857 C 1.821 8 residues pruned to eliminate duplicates Z: 6 11.378 2.080 0.623 0.662 0.800 0.800 CB 1.621 Z: 42 63.204 2.458 0.742 0.701 0.976 0.805 CB 1.966 43 residues pruned to eliminate duplicates Z: 20 38.230 2.185 0.743 0.918 1.000 0.842 CB 1.624 20 residues pruned to eliminate duplicates Z: 20 36.442 2.323 0.642 0.921 1.000 0.947 CB 1.543 20 residues pruned to eliminate duplicates Z: 18 45.519 2.332 0.913 0.907 1.000 0.882 CB 1.759 21 residues pruned to eliminate duplicates Z: 13 23.196 2.361 0.244 0.835 1.000 0.833 CB 1.708 13 residues pruned to eliminate duplicates Z: 20 33.476 2.131 0.538 0.889 1.000 0.789 C 1.687 20 residues pruned to eliminate duplicates Z: 9 15.469 2.053 0.581 0.823 0.875 0.500 CA 1.456 Z: 40 63.226 2.314 0.678 0.884 1.000 0.718 C 1.884 40 residues pruned to eliminate duplicates Z: 38 47.403 2.299 0.295 0.894 1.000 0.919 CB 1.878 38 residues pruned to eliminate duplicates Z: 73 52.948 2.144 0.626 0.636 0.986 0.722 CB 1.598 27 residues pruned to eliminate duplicates Z: 7 26.161 2.522 0.636 0.785 1.000 0.833 CB 2.015 6 residues pruned to eliminate duplicates Z: 39 58.502 2.301 0.634 0.915 0.974 0.737 CB 1.833 39 residues pruned to eliminate duplicates Z: 25 47.195 2.162 0.843 0.928 1.000 0.917 CB 1.693 25 residues pruned to eliminate duplicates Z: 24 35.043 2.203 0.637 0.928 1.000 0.913 CB 1.418 24 residues pruned to eliminate duplicates Z: 84 80.049 2.351 0.812 0.733 0.952 0.614 CB 1.757 79 residues pruned to eliminate duplicates Z: 20 38.817 2.319 0.707 0.906 1.000 0.842 CB 1.600 20 residues pruned to eliminate duplicates Z: 39 55.296 2.323 0.476 0.883 1.000 0.895 CB 1.892 39 residues pruned to eliminate duplicates Z: 20 43.236 2.253 1.076 0.951 1.000 0.842 CB 1.462 19 residues pruned to eliminate duplicates Z: 15 9.253 1.943 -0.020 0.765 0.643 0.500 CA 1.598 15 residues pruned to eliminate duplicates Z: 21 38.670 2.236 0.867 0.904 0.950 0.900 CB 1.553 21 residues pruned to eliminate duplicates Z: 12 41.629 2.282 1.122 0.919 1.000 0.727 CA 1.825 12 residues pruned to eliminate duplicates Z: 7 17.046 2.295 0.261 0.814 1.000 0.667 CA 1.830 7 residues pruned to eliminate duplicates Z: 10 25.681 2.174 0.683 0.800 1.000 0.778 CA 1.800 10 residues pruned to eliminate duplicates Z: 37 55.902 2.294 0.605 0.918 0.944 0.833 CB 1.889 37 residues pruned to eliminate duplicates Z: 6 13.126 2.107 0.323 0.873 1.000 0.800 CB 1.534 6 residues pruned to eliminate duplicates Z: 24 47.866 2.196 0.921 0.926 0.957 0.913 CB 1.735 24 residues pruned to eliminate duplicates Z: 13 23.181 1.897 0.852 0.811 0.917 0.833 C 1.586 13 residues pruned to eliminate duplicates Z: 15 39.817 2.096 1.027 0.929 1.000 1.000 CA 1.753 15 residues pruned to eliminate duplicates Z: 9 14.606 1.965 0.345 0.848 1.000 0.750 CB 1.449 9 residues pruned to eliminate duplicates Z: 35 67.437 2.280 0.987 0.930 0.971 0.618 C 1.839 35 residues pruned to eliminate duplicates Z: 19 25.457 2.185 0.190 0.845 1.000 0.778 C 1.715 19 residues pruned to eliminate duplicates Z: 25 36.479 2.131 0.615 0.874 0.917 0.833 CB 1.717 25 residues pruned to eliminate duplicates Z: 25 36.409 2.253 0.517 0.848 0.917 0.792 CA 1.759 7 residues pruned to eliminate duplicates Z: 24 48.797 2.253 1.102 0.900 1.000 0.913 CB 1.535 23 residues pruned to eliminate duplicates Z: 40 39.710 2.183 0.605 0.624 0.949 0.615 CB 1.702 24 residues pruned to eliminate duplicates Z: 20 39.181 2.165 0.808 0.893 1.000 0.789 CB 1.649 21 residues pruned to eliminate duplicates Z: 18 40.537 2.286 0.960 0.881 0.882 0.647 CB 1.801 18 residues pruned to eliminate duplicates Z: 19 43.826 2.138 1.042 0.897 1.000 0.778 CB 1.694 19 residues pruned to eliminate duplicates Z: 41 57.476 2.278 0.573 0.872 1.000 0.750 C 1.849 41 residues pruned to eliminate duplicates Z: 12 22.450 1.992 0.888 0.784 0.909 0.727 CA 1.542 12 residues pruned to eliminate duplicates Z: 15 31.767 2.118 0.994 0.831 0.929 0.571 CB 1.626 15 residues pruned to eliminate duplicates Z: 8 16.474 2.154 0.550 0.725 1.000 0.571 CA 1.522 8 residues pruned to eliminate duplicates Z: 30 46.812 2.152 0.673 0.904 1.000 0.793 CB 1.719 31 residues pruned to eliminate duplicates Z: 44 46.395 2.276 0.598 0.671 0.930 0.674 CB 1.787 44 residues pruned to eliminate duplicates Z: 22 43.229 2.201 0.845 0.853 0.952 0.810 CA 1.803 22 residues pruned to eliminate duplicates Z: 45 54.090 2.345 0.720 0.681 0.932 0.727 CB 1.838 45 residues pruned to eliminate duplicates Z: 15 35.129 2.109 0.939 0.913 1.000 0.929 CB 1.624 15 residues pruned to eliminate duplicates Z: 20 41.041 2.334 0.873 0.895 0.947 0.684 CB 1.629 18 residues pruned to eliminate duplicates Z: 69 80.512 2.324 0.875 0.769 0.971 0.676 CB 1.819 69 residues pruned to eliminate duplicates Z: 23 46.981 2.289 1.069 0.936 1.000 0.818 CB 1.473 23 residues pruned to eliminate duplicates Z: 17 36.511 2.395 0.581 0.879 0.938 0.562 CB 1.864 17 residues pruned to eliminate duplicates Z: 47 61.259 2.329 0.940 0.617 1.000 0.674 CB 1.790 47 residues pruned to eliminate duplicates Z: 32 33.482 2.004 0.539 0.874 0.968 0.677 CB 1.466 32 residues pruned to eliminate duplicates Z: 25 40.102 2.291 0.586 0.865 0.875 0.792 CA 1.887 27 residues pruned to eliminate duplicates Z: 28 43.937 2.316 0.773 0.750 0.889 0.741 CB 1.854 28 residues pruned to eliminate duplicates Z: 30 26.734 2.073 0.724 0.425 0.966 0.690 CB 1.555 3 residues pruned to eliminate duplicates Z: 39 67.702 2.310 0.843 0.891 0.974 0.842 C 1.904 39 residues pruned to eliminate duplicates Z: 54 62.421 2.354 0.846 0.612 0.962 0.679 CB 1.844 60 residues pruned to eliminate duplicates Z: 6 3.357 1.986 0.076 0.418 0.600 0.600 CB 1.276 6 residues pruned to eliminate duplicates Z: 32 41.804 2.071 0.645 0.902 0.968 0.774 CB 1.624 31 residues pruned to eliminate duplicates Z: 92 79.244 2.268 0.801 0.749 0.945 0.703 CB 1.723 92 residues pruned to eliminate duplicates Z: 39 69.799 2.293 0.858 0.900 1.000 0.789 C 1.899 39 residues pruned to eliminate duplicates Z: 39 74.803 2.325 0.965 0.912 1.000 0.711 C 1.881 39 residues pruned to eliminate duplicates Z: 8 17.861 2.008 0.632 0.781 1.000 0.714 C 1.607 8 residues pruned to eliminate duplicates Z: 76 59.969 2.276 0.703 0.637 0.933 0.760 CB 1.684 59 residues pruned to eliminate duplicates Z: 37 64.558 2.299 0.800 0.917 0.972 0.861 CA 1.887 37 residues pruned to eliminate duplicates Z: 6 7.804 1.525 0.994 0.707 0.800 0.800 CB 1.189 6 residues pruned to eliminate duplicates Z: 24 48.924 2.200 1.256 0.942 0.957 0.957 CB 1.490 24 residues pruned to eliminate duplicates Z: 39 52.285 2.270 0.563 0.871 0.947 0.789 CB 1.841 39 residues pruned to eliminate duplicates Z: 21 56.734 2.343 1.127 0.946 1.000 0.800 CB 1.761 21 residues pruned to eliminate duplicates Z: 19 32.363 2.233 0.467 0.903 0.944 0.833 CB 1.758 19 residues pruned to eliminate duplicates Z: 16 22.819 2.133 0.519 0.811 0.867 0.600 CB 1.600 16 residues pruned to eliminate duplicates Z: 39 68.015 2.309 0.929 0.914 0.974 0.737 C 1.800 39 residues pruned to eliminate duplicates Z: 19 47.317 2.264 1.019 0.934 1.000 0.833 CB 1.702 20 residues pruned to eliminate duplicates Z: 39 71.095 2.333 0.866 0.884 1.000 0.868 CA 1.914 39 residues pruned to eliminate duplicates Z: 10 12.918 2.089 0.194 0.810 0.778 0.667 C 1.695 10 residues pruned to eliminate duplicates Z: 39 70.671 2.295 0.908 0.890 1.000 0.711 C 1.884 39 residues pruned to eliminate duplicates Z: 31 47.858 2.285 0.445 0.918 1.000 0.900 CA 1.866 31 residues pruned to eliminate duplicates Z: 17 39.208 2.164 0.942 0.850 1.000 0.750 CB 1.728 17 residues pruned to eliminate duplicates Z: 11 18.133 1.907 0.696 0.877 0.900 0.800 CB 1.431 11 residues pruned to eliminate duplicates Z: 41 54.054 2.305 0.458 0.879 0.975 0.800 C 1.891 41 residues pruned to eliminate duplicates Z: 39 52.822 2.294 0.515 0.869 0.947 0.789 CA 1.900 39 residues pruned to eliminate duplicates Z: 17 26.397 2.050 0.794 0.637 0.938 0.688 CA 1.683 17 residues pruned to eliminate duplicates Z: 76 77.633 2.327 0.800 0.750 0.973 0.707 CB 1.759 76 residues pruned to eliminate duplicates Z: 31 46.989 2.078 0.840 0.898 0.967 0.700 CB 1.660 31 residues pruned to eliminate duplicates Z: 28 56.156 2.315 0.766 0.937 1.000 0.926 C 1.840 28 residues pruned to eliminate duplicates Z: 20 27.568 2.243 0.735 0.556 0.947 0.526 CB 1.625 20 residues pruned to eliminate duplicates Z: 35 61.186 2.247 0.832 0.950 0.971 0.765 CB 1.811 35 residues pruned to eliminate duplicates Z: 23 59.341 2.235 1.325 0.917 0.955 0.727 CB 1.799 23 residues pruned to eliminate duplicates Z: 39 63.832 2.324 0.690 0.882 1.000 0.816 CA 1.907 39 residues pruned to eliminate duplicates Z: 31 42.574 2.057 0.771 0.884 0.933 0.633 CB 1.651 31 residues pruned to eliminate duplicates Z: 33 43.245 2.296 0.244 0.944 1.000 0.969 CB 1.853 33 residues pruned to eliminate duplicates Z: 23 54.621 2.261 1.003 0.950 1.000 0.909 CB 1.774 23 residues pruned to eliminate duplicates Z: 33 68.657 2.312 0.889 0.948 1.000 0.812 CA 1.920 33 residues pruned to eliminate duplicates Z: 15 39.348 2.098 1.073 0.902 1.000 1.000 CA 1.726 15 residues pruned to eliminate duplicates Z: 22 51.996 2.290 1.011 0.941 1.000 0.762 CB 1.709 22 residues pruned to eliminate duplicates Z: 18 46.509 2.263 1.092 0.926 0.941 0.765 CB 1.776 16 residues pruned to eliminate duplicates Z: 20 32.781 2.327 0.582 0.894 0.947 0.842 CB 1.548 20 residues pruned to eliminate duplicates Z: 17 50.266 2.548 0.689 0.880 1.000 0.875 C 2.115 17 residues pruned to eliminate duplicates Z: 18 37.583 2.305 0.658 0.873 0.941 0.706 CB 1.845 18 residues pruned to eliminate duplicates Z: 38 53.153 2.286 0.552 0.904 0.946 0.838 CA 1.854 38 residues pruned to eliminate duplicates Z: 32 31.847 2.232 0.461 0.640 0.871 0.645 CB 1.767 32 residues pruned to eliminate duplicates Z: 25 46.439 2.148 0.758 0.928 1.000 0.833 CB 1.757 25 residues pruned to eliminate duplicates Z: 40 55.123 2.297 0.550 0.887 0.949 0.846 CA 1.884 40 residues pruned to eliminate duplicates Z: 18 33.850 2.209 0.517 0.938 1.000 0.941 CB 1.704 18 residues pruned to eliminate duplicates Z: 20 25.262 2.171 0.624 0.909 0.947 0.895 CB 1.231 20 residues pruned to eliminate duplicates Z: 104 71.777 2.247 0.818 0.570 0.951 0.660 CB 1.701 103 residues pruned to eliminate duplicates Z: 64 37.607 2.081 0.813 0.431 0.921 0.540 CB 1.465 64 residues pruned to eliminate duplicates Z: 20 43.802 2.239 0.856 0.905 1.000 0.895 CB 1.721 20 residues pruned to eliminate duplicates Z: 93 93.033 2.344 0.904 0.780 0.978 0.728 CB 1.735 93 residues pruned to eliminate duplicates Z: 9 21.399 2.287 0.517 0.864 0.875 0.875 C 1.828 9 residues pruned to eliminate duplicates Z: 40 46.370 2.298 0.273 0.887 0.974 0.872 CB 1.878 40 residues pruned to eliminate duplicates Z: 40 64.479 2.295 0.768 0.895 0.974 0.846 CA 1.873 40 residues pruned to eliminate duplicates Z: 17 48.103 2.503 0.698 0.862 1.000 0.812 C 2.078 17 residues pruned to eliminate duplicates Z: 10 26.975 2.434 0.384 0.906 1.000 0.889 C 1.899 10 residues pruned to eliminate duplicates Z: 40 49.556 2.291 0.433 0.876 0.974 0.872 CB 1.803 40 residues pruned to eliminate duplicates Z: 16 29.268 1.954 0.753 0.883 1.000 0.800 CB 1.595 16 residues pruned to eliminate duplicates Z: 31 41.847 2.066 0.677 0.879 1.000 0.700 CB 1.599 31 residues pruned to eliminate duplicates Z: 19 28.284 2.160 0.381 0.896 1.000 0.833 CB 1.601 19 residues pruned to eliminate duplicates Z: 17 47.279 2.535 0.670 0.868 1.000 0.750 CB 2.041 17 residues pruned to eliminate duplicates Z: 19 23.812 2.122 0.244 0.881 0.944 0.889 CB 1.631 19 residues pruned to eliminate duplicates Z: 20 40.592 2.186 0.927 0.901 0.947 0.789 CB 1.665 20 residues pruned to eliminate duplicates Z: 84 83.425 2.352 0.798 0.722 0.964 0.663 CB 1.838 85 residues pruned to eliminate duplicates Z: 40 61.736 2.295 0.677 0.880 0.974 0.769 CA 1.911 40 residues pruned to eliminate duplicates Z: 21 33.882 2.188 0.558 0.875 0.950 0.800 CB 1.701 21 residues pruned to eliminate duplicates Z: 20 39.971 2.141 0.855 0.855 1.000 0.684 C 1.704 20 residues pruned to eliminate duplicates Z: 39 54.018 2.290 0.444 0.903 1.000 0.868 CB 1.889 39 residues pruned to eliminate duplicates Z: 18 18.609 1.920 0.624 0.583 0.941 0.588 CB 1.420 Z: 9 9.938 1.831 -0.013 0.854 1.000 0.750 CB 1.436 9 residues pruned to eliminate duplicates Z: 17 27.127 2.022 0.514 0.907 1.000 0.750 CA 1.574 17 residues pruned to eliminate duplicates Z: 20 49.337 2.289 0.855 0.903 1.000 0.789 CB 1.900 20 residues pruned to eliminate duplicates Z: 44 54.302 2.356 0.681 0.666 0.953 0.698 CB 1.881 44 residues pruned to eliminate duplicates Z: 25 33.405 2.207 0.293 0.867 0.958 0.833 CA 1.824 25 residues pruned to eliminate duplicates Z: 14 14.413 1.945 0.181 0.801 0.846 0.538 CA 1.580 16 residues pruned to eliminate duplicates Z: 37 65.045 2.288 0.763 0.927 1.000 0.889 CB 1.882 37 residues pruned to eliminate duplicates Z: 19 37.171 2.329 0.437 0.920 1.000 0.889 CB 1.843 19 residues pruned to eliminate duplicates Z: 9 20.756 2.134 0.693 0.793 0.875 0.625 CB 1.795 9 residues pruned to eliminate duplicates Z: 26 59.611 2.288 1.052 0.909 0.960 0.760 CA 1.878 26 residues pruned to eliminate duplicates Z: 34 68.401 2.342 0.845 0.921 1.000 0.818 CB 1.940 34 residues pruned to eliminate duplicates Z: 17 34.138 2.198 1.105 0.878 0.875 0.688 CB 1.530 17 residues pruned to eliminate duplicates Z: 41 49.746 2.264 0.378 0.885 0.975 0.950 CB 1.867 41 residues pruned to eliminate duplicates Z: 7 10.100 1.884 0.300 0.804 0.833 0.500 CB 1.549 7 residues pruned to eliminate duplicates Z: 9 13.199 1.955 0.407 0.811 0.875 0.750 CA 1.478 9 residues pruned to eliminate duplicates Z: 36 50.017 2.238 0.494 0.921 1.000 0.914 CB 1.779 36 residues pruned to eliminate duplicates Z: 40 59.920 2.234 0.773 0.869 0.974 0.846 CA 1.816 40 residues pruned to eliminate duplicates Z: 20 43.559 2.267 0.853 0.901 1.000 0.789 CB 1.698 20 residues pruned to eliminate duplicates Z: 9 16.949 1.959 0.458 0.899 1.000 0.750 CA 1.500 9 residues pruned to eliminate duplicates Z: 9 26.187 2.447 0.463 0.879 1.000 0.750 CA 1.875 9 residues pruned to eliminate duplicates Z: 25 35.583 2.277 0.357 0.850 0.958 0.708 CB 1.817 25 residues pruned to eliminate duplicates Z: 21 34.886 2.196 0.616 0.863 0.950 0.750 CB 1.698 21 residues pruned to eliminate duplicates Z: 25 42.140 2.139 1.022 0.913 0.958 0.792 CB 1.468 25 residues pruned to eliminate duplicates Z: 18 35.388 2.253 0.551 0.904 0.941 0.882 C 1.859 18 residues pruned to eliminate duplicates Z: 9 6.186 1.941 -0.023 0.647 0.875 0.500 CB 1.149 9 residues pruned to eliminate duplicates Z: 41 49.963 2.304 0.400 0.876 0.975 0.825 CB 1.827 41 residues pruned to eliminate duplicates Z: 17 22.783 2.052 0.271 0.880 1.000 0.750 CB 1.583 17 residues pruned to eliminate duplicates Z: 23 34.358 2.172 0.608 0.944 0.955 0.909 CB 1.522 23 residues pruned to eliminate duplicates Z: 31 38.935 2.107 0.626 0.877 0.933 0.767 CB 1.615 31 residues pruned to eliminate duplicates Z: 12 19.851 2.047 0.570 0.684 0.909 0.455 CA 1.730 12 residues pruned to eliminate duplicates Z: 9 7.667 1.713 0.146 0.811 0.875 0.500 CB 1.203 9 residues pruned to eliminate duplicates Z: 17 28.746 2.084 0.578 0.882 1.000 0.875 CB 1.582 17 residues pruned to eliminate duplicates Z: 13 18.695 1.856 0.505 0.918 1.000 0.917 CB 1.363 13 residues pruned to eliminate duplicates Z: 34 51.017 2.280 0.501 0.950 1.000 0.939 CB 1.790 34 residues pruned to eliminate duplicates Z: 46 63.758 2.377 0.957 0.654 0.978 0.711 CB 1.812 46 residues pruned to eliminate duplicates Z: 34 59.323 2.246 0.806 0.935 0.970 0.788 CA 1.830 34 residues pruned to eliminate duplicates Z: 35 49.981 2.267 0.467 0.925 1.000 0.941 CB 1.809 35 residues pruned to eliminate duplicates Z: 34 24.994 1.908 0.687 0.582 0.970 0.697 CB 1.288 33 residues pruned to eliminate duplicates Z: 46 59.285 2.373 0.888 0.637 0.956 0.622 CB 1.816 46 residues pruned to eliminate duplicates Z: 13 17.738 1.880 0.268 0.904 1.000 1.000 CB 1.530 13 residues pruned to eliminate duplicates Z: 15 19.593 1.904 0.501 0.775 1.000 0.643 C 1.437 15 residues pruned to eliminate duplicates Z: 45 45.398 2.221 0.661 0.651 0.955 0.682 CB 1.689 45 residues pruned to eliminate duplicates Z: 18 41.698 2.363 0.673 0.899 1.000 0.824 CB 1.829 18 residues pruned to eliminate duplicates Z: 20 38.748 2.182 0.699 0.925 1.000 0.789 CB 1.682 20 residues pruned to eliminate duplicates Z: 18 32.332 2.246 0.398 0.907 1.000 0.882 CA 1.775 18 residues pruned to eliminate duplicates Z: 9 12.232 1.950 0.566 0.789 0.750 0.625 C 1.464 9 residues pruned to eliminate duplicates Z: 9 13.144 1.795 0.592 0.759 1.000 0.750 CB 1.292 Z: 40 58.506 2.260 0.725 0.882 0.949 0.641 CB 1.833 40 residues pruned to eliminate duplicates Z: 31 42.111 2.074 0.633 0.890 1.000 0.667 CB 1.633 31 residues pruned to eliminate duplicates Z: 22 34.823 2.164 0.472 0.914 0.952 0.905 C 1.771 22 residues pruned to eliminate duplicates Z: 7 11.414 2.244 0.467 0.813 0.667 0.667 CA 1.618 7 residues pruned to eliminate duplicates Z: 39 69.957 2.297 0.906 0.891 1.000 0.816 C 1.864 39 residues pruned to eliminate duplicates Z: 16 27.969 2.114 0.422 0.910 1.000 0.867 CB 1.703 16 residues pruned to eliminate duplicates Z: 35 58.828 2.277 0.733 0.928 1.000 0.853 CB 1.790 35 residues pruned to eliminate duplicates Z: 25 43.456 2.279 0.754 0.833 0.917 0.750 CA 1.816 25 residues pruned to eliminate duplicates Z: 22 42.608 2.323 0.921 0.931 0.952 0.857 CB 1.529 22 residues pruned to eliminate duplicates Z: 25 17.966 1.921 0.695 0.460 0.875 0.625 CB 1.341 17 residues pruned to eliminate duplicates Z: 9 14.149 2.032 0.301 0.813 1.000 0.500 CA 1.442 9 residues pruned to eliminate duplicates Z: 23 46.989 2.230 0.913 0.915 0.955 0.864 CB 1.738 23 residues pruned to eliminate duplicates Z: 9 24.776 2.238 0.566 0.884 1.000 0.750 CA 1.805 9 residues pruned to eliminate duplicates Z: 15 18.083 2.119 0.321 0.854 0.929 0.786 CB 1.374 15 residues pruned to eliminate duplicates Z: 24 38.741 2.279 0.419 0.869 1.000 0.870 CB 1.824 24 residues pruned to eliminate duplicates Z: 19 20.062 2.242 0.320 0.502 0.889 0.722 CB 1.793 19 residues pruned to eliminate duplicates Z: 25 42.405 2.198 0.666 0.859 0.958 0.792 CA 1.815 25 residues pruned to eliminate duplicates Z: 16 26.141 1.905 0.805 0.875 0.933 0.933 CB 1.530 16 residues pruned to eliminate duplicates Z: 25 40.248 2.265 0.436 0.896 1.000 0.792 CB 1.809 25 residues pruned to eliminate duplicates Z: 7 12.975 2.014 0.780 0.533 1.000 0.667 CA 1.430 7 residues pruned to eliminate duplicates Z: 36 41.878 2.223 0.280 0.902 0.971 0.829 CB 1.826 36 residues pruned to eliminate duplicates Z: 22 43.595 2.258 0.747 0.947 1.000 0.952 CB 1.667 22 residues pruned to eliminate duplicates Z: 35 63.660 2.273 0.960 0.895 0.971 0.824 C 1.810 35 residues pruned to eliminate duplicates Z: 26 39.682 2.192 0.611 0.835 0.960 0.800 CA 1.754 25 residues pruned to eliminate duplicates Z: 23 50.370 2.270 1.259 0.944 1.000 0.727 CB 1.451 23 residues pruned to eliminate duplicates Z: 40 71.365 2.301 0.955 0.906 1.000 0.795 C 1.807 40 residues pruned to eliminate duplicates Z: 20 37.176 2.273 0.650 0.910 0.947 0.842 C 1.702 20 residues pruned to eliminate duplicates Z: 16 30.350 1.936 0.784 0.898 1.000 0.733 CB 1.623 16 residues pruned to eliminate duplicates Z: 20 40.631 2.179 0.832 0.900 1.000 0.789 CB 1.669 20 residues pruned to eliminate duplicates Z: 20 34.564 2.225 0.610 0.879 0.895 0.789 C 1.794 21 residues pruned to eliminate duplicates Z: 20 32.137 2.263 0.689 0.872 1.000 0.737 CB 1.406 19 residues pruned to eliminate duplicates Z: 19 46.017 2.365 0.904 0.918 1.000 0.722 CB 1.699 19 residues pruned to eliminate duplicates Z: 16 43.039 2.459 0.813 0.862 0.933 0.667 CB 1.961 16 residues pruned to eliminate duplicates Z: 7 10.047 2.022 0.173 0.734 0.833 0.667 C 1.681 7 residues pruned to eliminate duplicates Z: 19 35.579 2.238 0.649 0.889 0.944 0.778 CB 1.732 19 residues pruned to eliminate duplicates Z: 43 55.846 2.389 0.667 0.663 0.952 0.738 C 1.954 43 residues pruned to eliminate duplicates Z: 25 48.308 2.294 0.667 0.867 1.000 0.792 CA 1.886 25 residues pruned to eliminate duplicates Z: 22 32.989 2.324 0.480 0.928 1.000 0.952 CB 1.465 22 residues pruned to eliminate duplicates Z: 34 66.665 2.264 0.971 0.925 1.000 0.606 CA 1.825 34 residues pruned to eliminate duplicates Z: 6 8.435 2.053 -0.093 0.790 1.000 0.600 CA 1.571 6 residues pruned to eliminate duplicates Z: 20 48.421 2.229 0.988 0.854 1.000 0.789 CA 1.851 20 residues pruned to eliminate duplicates Z: 35 55.994 2.242 0.643 0.921 1.000 0.824 CB 1.834 35 residues pruned to eliminate duplicates Z: 17 19.743 2.015 0.309 0.850 0.938 0.812 CB 1.477 17 residues pruned to eliminate duplicates Z: 44 66.396 2.421 0.929 0.644 1.000 0.698 CB 1.896 44 residues pruned to eliminate duplicates Z: 20 32.018 2.271 0.539 0.764 0.947 0.737 CB 1.755 20 residues pruned to eliminate duplicates Z: 25 37.745 2.217 0.516 0.857 0.958 0.750 CB 1.762 25 residues pruned to eliminate duplicates Z: 22 50.013 2.343 1.111 0.941 1.000 0.857 CB 1.532 24 residues pruned to eliminate duplicates Z: 25 45.796 2.140 0.792 0.948 1.000 0.792 CB 1.684 25 residues pruned to eliminate duplicates Z: 19 40.101 2.311 0.541 0.878 1.000 0.944 CA 1.926 19 residues pruned to eliminate duplicates Z: 28 18.463 1.893 0.689 0.444 0.852 0.630 CB 1.381 26 residues pruned to eliminate duplicates Z: 8 17.453 2.231 0.541 0.846 0.857 0.714 CA 1.664 8 residues pruned to eliminate duplicates Z: 37 64.254 2.314 0.725 0.912 1.000 0.861 CA 1.900 37 residues pruned to eliminate duplicates Z: 59 45.091 2.133 0.735 0.621 0.931 0.672 CB 1.533 59 residues pruned to eliminate duplicates Z: 39 43.172 2.088 0.656 0.774 0.947 0.605 CB 1.678 32 residues pruned to eliminate duplicates Z: 19 41.706 2.246 0.716 0.871 1.000 0.889 CB 1.861 19 residues pruned to eliminate duplicates Z: 22 58.835 2.324 1.127 0.955 1.000 0.905 CB 1.785 22 residues pruned to eliminate duplicates Z: 37 39.119 2.126 0.746 0.639 0.944 0.694 CB 1.632 37 residues pruned to eliminate duplicates Z: 33 48.570 2.309 0.385 0.927 1.000 0.938 CA 1.880 33 residues pruned to eliminate duplicates Z: 35 50.170 2.331 0.782 0.625 1.000 0.706 CB 1.841 35 residues pruned to eliminate duplicates Z: 71 52.965 2.241 0.594 0.648 0.914 0.600 CB 1.689 71 residues pruned to eliminate duplicates Z: 21 48.755 2.300 0.754 0.896 1.000 0.850 CA 1.935 21 residues pruned to eliminate duplicates Z: 31 42.984 2.127 0.562 0.917 1.000 0.867 CB 1.667 31 residues pruned to eliminate duplicates Z: 16 25.909 2.110 0.458 0.874 1.000 0.800 CB 1.582 16 residues pruned to eliminate duplicates Z: 40 54.537 2.273 0.490 0.883 1.000 0.872 CA 1.865 40 residues pruned to eliminate duplicates Z: 26 38.950 2.211 0.577 0.840 0.960 0.840 CA 1.736 26 residues pruned to eliminate duplicates Z: 33 57.475 2.318 0.633 0.936 1.000 0.938 CA 1.869 33 residues pruned to eliminate duplicates Z: 24 12.001 1.664 0.796 0.429 0.913 0.478 CB 0.988 24 residues pruned to eliminate duplicates Z: 14 20.716 1.861 0.506 0.922 1.000 0.923 CB 1.442 14 residues pruned to eliminate duplicates Z: 35 57.868 2.267 0.764 0.905 0.971 0.735 C 1.821 35 residues pruned to eliminate duplicates Z: 10 15.852 1.901 0.470 0.747 1.000 0.667 CB 1.517 9 residues pruned to eliminate duplicates Z: 25 17.920 1.976 0.562 0.467 0.875 0.667 CB 1.400 25 residues pruned to eliminate duplicates Z: 19 36.434 2.153 0.849 0.891 0.944 0.778 C 1.642 18 residues pruned to eliminate duplicates Z: 17 34.528 2.428 0.546 0.870 0.875 0.812 CB 1.918 17 residues pruned to eliminate duplicates Z: 17 21.271 2.074 0.242 0.850 1.000 0.750 CB 1.529 17 residues pruned to eliminate duplicates Z: 18 40.591 2.277 0.860 0.929 0.941 0.882 C 1.727 19 residues pruned to eliminate duplicates Z: 9 14.181 1.990 0.475 0.819 1.000 0.625 CB 1.295 9 residues pruned to eliminate duplicates Z: 19 34.634 2.125 0.882 0.899 0.944 0.778 C 1.545 19 residues pruned to eliminate duplicates Z: 43 62.869 2.171 0.892 0.878 1.000 0.690 C 1.715 43 residues pruned to eliminate duplicates Z: 41 65.858 2.275 0.912 0.862 0.950 0.700 CB 1.850 41 residues pruned to eliminate duplicates Z: 40 70.767 2.288 0.900 0.890 1.000 0.821 C 1.875 40 residues pruned to eliminate duplicates Z: 23 52.884 2.244 1.011 0.954 1.000 0.773 CB 1.719 23 residues pruned to eliminate duplicates Z: 39 53.613 2.328 0.398 0.902 1.000 0.921 CB 1.906 39 residues pruned to eliminate duplicates Z: 6 20.095 2.067 0.954 0.815 1.000 0.800 CB 1.692 6 residues pruned to eliminate duplicates Z: 54 45.887 2.177 0.934 0.524 0.943 0.642 CB 1.550 54 residues pruned to eliminate duplicates Z: 8 12.067 2.104 0.161 0.826 0.857 0.429 CB 1.644 8 residues pruned to eliminate duplicates Z: 10 17.490 1.881 0.528 0.786 1.000 0.667 CA 1.577 10 residues pruned to eliminate duplicates Z: 7 3.110 1.906 -0.105 0.460 0.833 0.500 CB 0.930 7 residues pruned to eliminate duplicates Z: 36 70.126 2.329 0.902 0.907 1.000 0.686 CB 1.902 36 residues pruned to eliminate duplicates Z: 17 24.173 2.091 0.409 0.862 0.938 0.750 CB 1.607 17 residues pruned to eliminate duplicates Z: 34 54.588 2.335 0.560 0.939 1.000 0.848 CB 1.813 34 residues pruned to eliminate duplicates Z: 18 38.712 2.347 0.639 0.883 0.941 0.765 CB 1.875 18 residues pruned to eliminate duplicates Z: 10 11.577 1.844 0.389 0.821 0.778 0.556 C 1.467 10 residues pruned to eliminate duplicates Z: 7 10.659 2.102 -0.034 0.812 1.000 0.667 CB 1.633 7 residues pruned to eliminate duplicates Z: 13 14.963 1.943 0.204 0.919 0.917 0.917 CB 1.419 13 residues pruned to eliminate duplicates Z: 21 45.944 2.201 0.868 0.913 1.000 0.750 CB 1.768 21 residues pruned to eliminate duplicates Z: 108 93.695 2.359 0.868 0.755 0.953 0.710 CB 1.719 108 residues pruned to eliminate duplicates Z: 19 40.764 2.343 0.716 0.864 1.000 0.778 C 1.753 19 residues pruned to eliminate duplicates Z: 32 40.031 2.061 0.719 0.909 0.935 0.742 CB 1.540 32 residues pruned to eliminate duplicates Z: 31 41.332 2.067 0.713 0.876 0.933 0.700 CB 1.659 31 residues pruned to eliminate duplicates Z: 25 43.807 2.277 0.535 0.876 1.000 0.875 C 1.859 25 residues pruned to eliminate duplicates Z: 25 43.809 2.287 0.625 0.861 0.958 0.792 CA 1.844 25 residues pruned to eliminate duplicates Z: 8 18.144 2.196 0.760 0.826 0.857 0.857 CB 1.561 8 residues pruned to eliminate duplicates Z: 21 33.546 2.207 0.455 0.887 1.000 0.750 CB 1.684 21 residues pruned to eliminate duplicates Z: 7 9.533 2.211 -0.137 0.837 1.000 0.667 CB 1.526 7 residues pruned to eliminate duplicates Z: 11 21.371 2.032 0.539 0.851 1.000 0.800 CA 1.599 11 residues pruned to eliminate duplicates Z: 37 57.025 2.179 0.749 0.924 0.972 0.917 CA 1.801 37 residues pruned to eliminate duplicates Z: 9 9.291 1.759 0.440 0.406 1.000 0.625 CA 1.432 Z: 18 40.518 2.268 0.751 0.943 1.000 0.882 CB 1.715 18 residues pruned to eliminate duplicates Z: 26 34.319 2.182 0.453 0.837 0.920 0.720 CA 1.761 26 residues pruned to eliminate duplicates Z: 12 16.310 2.085 0.574 0.751 0.727 0.636 CA 1.647 12 residues pruned to eliminate duplicates Z: 19 37.877 2.228 0.657 0.882 1.000 0.833 CB 1.749 19 residues pruned to eliminate duplicates Z: 15 29.651 2.135 0.536 0.917 1.000 0.857 CB 1.706 15 residues pruned to eliminate duplicates Z: 103 69.138 2.249 0.801 0.556 0.941 0.676 CB 1.700 103 residues pruned to eliminate duplicates Z: 18 40.935 2.296 0.765 0.867 1.000 0.706 CB 1.792 18 residues pruned to eliminate duplicates Z: 14 24.934 2.262 0.453 0.890 1.000 0.923 CB 1.514 14 residues pruned to eliminate duplicates Z: 19 40.868 2.417 0.549 0.878 1.000 0.778 C 1.867 19 residues pruned to eliminate duplicates Z: 19 41.113 2.224 0.759 0.901 1.000 0.778 CB 1.768 19 residues pruned to eliminate duplicates Z: 38 49.069 2.108 0.809 0.786 0.973 0.703 CB 1.691 39 residues pruned to eliminate duplicates Z: 31 45.609 2.074 0.800 0.885 0.967 0.767 CB 1.666 31 residues pruned to eliminate duplicates Z: 16 15.106 1.996 0.613 0.489 0.800 0.600 CB 1.531 16 residues pruned to eliminate duplicates Z: 35 74.863 2.272 1.148 0.936 1.000 0.706 CB 1.832 35 residues pruned to eliminate duplicates Z: 20 36.087 2.148 0.641 0.885 1.000 0.842 C 1.695 20 residues pruned to eliminate duplicates Z: 19 39.892 2.184 1.195 0.855 0.833 0.500 C 1.737 19 residues pruned to eliminate duplicates Z: 74 50.828 2.120 0.610 0.620 0.973 0.699 CB 1.600 74 residues pruned to eliminate duplicates Z: 21 36.526 2.178 0.652 0.873 0.950 0.900 CA 1.741 21 residues pruned to eliminate duplicates Z: 21 43.825 2.313 0.882 0.956 1.000 0.950 CB 1.546 21 residues pruned to eliminate duplicates Z: 26 40.072 2.193 0.490 0.874 1.000 0.840 CA 1.784 26 residues pruned to eliminate duplicates Z: 20 43.765 2.289 0.742 0.910 1.000 0.842 CB 1.785 20 residues pruned to eliminate duplicates Z: 8 21.147 2.309 0.610 0.901 1.000 0.857 CB 1.535 8 residues pruned to eliminate duplicates Z: 12 15.496 2.020 0.703 0.526 0.909 0.636 CB 1.457 15 residues pruned to eliminate duplicates Z: 18 27.607 1.980 0.713 0.871 0.941 0.588 CB 1.530 18 residues pruned to eliminate duplicates Z: 12 15.390 1.906 0.363 0.879 0.909 0.818 CA 1.425 12 residues pruned to eliminate duplicates Z: 16 23.634 2.093 0.227 0.901 1.000 0.800 CA 1.696 16 residues pruned to eliminate duplicates Z: 23 42.193 2.220 0.739 0.914 0.955 0.864 CB 1.727 23 residues pruned to eliminate duplicates Z: 10 14.542 1.960 0.564 0.721 1.000 0.778 CB 1.295 10 residues pruned to eliminate duplicates Z: 35 36.032 2.381 0.556 0.661 0.912 0.706 CB 1.577 35 residues pruned to eliminate duplicates Z: 48 48.026 2.140 0.634 0.692 0.957 0.809 CB 1.756 48 residues pruned to eliminate duplicates Z: 9 17.250 2.006 0.736 0.851 0.875 0.875 CA 1.481 9 residues pruned to eliminate duplicates Z: 25 32.509 2.201 0.815 0.550 0.958 0.625 CB 1.651 25 residues pruned to eliminate duplicates Z: 39 72.274 2.310 0.944 0.915 1.000 0.789 C 1.845 39 residues pruned to eliminate duplicates Z: 31 36.579 2.123 0.565 0.861 0.933 0.700 CB 1.582 31 residues pruned to eliminate duplicates Z: 22 38.170 2.236 0.641 0.880 0.952 0.762 CA 1.727 22 residues pruned to eliminate duplicates Z: 17 27.777 2.130 0.406 0.927 1.000 0.875 CB 1.625 17 residues pruned to eliminate duplicates Z: 15 38.428 2.101 1.037 0.902 1.000 0.857 CA 1.711 15 residues pruned to eliminate duplicates Z: 29 23.333 2.037 0.564 0.417 1.000 0.607 CB 1.510 29 residues pruned to eliminate duplicates Z: 21 40.102 2.282 0.593 0.854 0.950 0.650 CB 1.917 21 residues pruned to eliminate duplicates Z: 43 61.521 2.384 0.803 0.711 0.952 0.714 CB 1.914 43 residues pruned to eliminate duplicates Z: 33 61.551 2.299 0.733 0.936 1.000 0.938 CB 1.901 33 residues pruned to eliminate duplicates Z: 24 38.516 2.315 0.442 0.887 0.913 0.826 CA 1.899 24 residues pruned to eliminate duplicates Z: 39 64.260 2.293 0.749 0.878 1.000 0.737 CB 1.887 39 residues pruned to eliminate duplicates Z: 32 46.156 2.088 0.831 0.884 0.935 0.806 CB 1.674 32 residues pruned to eliminate duplicates Z: 32 42.827 2.076 0.687 0.909 0.968 0.774 CB 1.611 32 residues pruned to eliminate duplicates Z: 31 37.010 2.091 0.548 0.851 0.967 0.767 CB 1.599 31 residues pruned to eliminate duplicates Z: 22 47.742 2.213 0.894 0.856 1.000 0.714 CB 1.833 22 residues pruned to eliminate duplicates Z: 29 40.110 2.371 0.463 0.684 0.964 0.750 CB 1.915 29 residues pruned to eliminate duplicates Z: 7 6.639 1.890 0.150 0.497 0.833 0.833 CB 1.501 7 residues pruned to eliminate duplicates Z: 12 25.172 2.040 0.581 0.910 1.000 1.000 CA 1.669 12 residues pruned to eliminate duplicates Z: 40 38.293 2.043 0.571 0.756 0.949 0.641 CB 1.603 40 residues pruned to eliminate duplicates Z: 16 25.170 2.083 0.839 0.676 0.867 0.667 CA 1.664 16 residues pruned to eliminate duplicates Z: 116 66.764 2.225 0.757 0.543 0.939 0.670 CB 1.626 103 residues pruned to eliminate duplicates Z: 8 4.081 1.866 -0.035 0.610 0.571 0.429 CB 1.352 8 residues pruned to eliminate duplicates Z: 9 17.533 1.987 0.473 0.839 1.000 0.750 C 1.581 9 residues pruned to eliminate duplicates Z: 101 66.796 2.281 0.647 0.608 0.920 0.630 CB 1.745 100 residues pruned to eliminate duplicates Z: 43 59.547 2.399 0.810 0.676 0.952 0.738 CB 1.890 44 residues pruned to eliminate duplicates Z: 46 50.683 2.192 0.756 0.648 1.000 0.733 CB 1.710 46 residues pruned to eliminate duplicates Z: 26 35.449 2.098 0.475 0.849 1.000 0.720 CA 1.699 26 residues pruned to eliminate duplicates Z: 20 31.175 2.063 0.984 0.898 0.895 0.737 C 1.397 20 residues pruned to eliminate duplicates Z: 17 37.367 2.305 0.543 0.900 1.000 1.000 C 1.877 17 residues pruned to eliminate duplicates Z: 39 67.162 2.307 0.787 0.900 1.000 0.789 CB 1.888 39 residues pruned to eliminate duplicates Z: 126 98.877 2.319 0.877 0.716 0.944 0.680 CB 1.771 122 residues pruned to eliminate duplicates Z: 19 40.241 2.250 0.882 0.889 1.000 0.722 CB 1.612 19 residues pruned to eliminate duplicates Z: 24 42.577 2.256 0.871 0.906 1.000 0.870 CB 1.496 24 residues pruned to eliminate duplicates Z: 6 7.570 2.074 -0.097 0.869 1.000 0.800 CB 1.320 6 residues pruned to eliminate duplicates Z: 19 39.836 2.218 0.737 0.899 1.000 0.833 C 1.743 19 residues pruned to eliminate duplicates Z: 39 41.248 2.230 0.262 0.874 0.974 0.895 CB 1.778 39 residues pruned to eliminate duplicates Z: 44 47.870 2.216 0.680 0.632 1.000 0.674 CB 1.733 45 residues pruned to eliminate duplicates Z: 43 53.275 2.388 0.631 0.664 0.952 0.786 CB 1.905 43 residues pruned to eliminate duplicates Z: 19 34.963 2.150 1.008 0.867 0.889 0.722 CB 1.571 19 residues pruned to eliminate duplicates Z: 13 16.398 2.119 0.337 0.783 0.750 0.667 CA 1.736 13 residues pruned to eliminate duplicates Z: 38 48.731 2.321 0.297 0.902 1.000 0.946 CB 1.898 38 residues pruned to eliminate duplicates Z: 32 37.512 2.047 0.518 0.905 0.968 0.677 CB 1.595 32 residues pruned to eliminate duplicates Z: 19 18.022 2.132 0.474 0.548 0.889 0.500 CB 1.450 19 residues pruned to eliminate duplicates Z: 14 17.056 2.162 0.392 0.788 0.846 0.462 CB 1.442 14 residues pruned to eliminate duplicates Z: 23 38.116 2.234 0.943 0.935 0.955 0.773 CB 1.367 23 residues pruned to eliminate duplicates Z: 65 41.481 2.169 0.542 0.576 0.859 0.609 CB 1.677 90 residues pruned to eliminate duplicates Z: 23 45.715 2.222 1.137 0.939 0.955 0.864 CB 1.494 23 residues pruned to eliminate duplicates Z: 23 50.897 2.210 1.030 0.947 1.000 0.818 CB 1.672 23 residues pruned to eliminate duplicates Z: 35 48.673 2.288 0.434 0.893 0.971 0.853 CB 1.881 35 residues pruned to eliminate duplicates Z: 24 41.951 2.319 0.517 0.884 0.957 0.739 CA 1.879 Z: 58 36.264 2.185 0.598 0.545 0.860 0.667 CB 1.532 62 residues pruned to eliminate duplicates Z: 15 43.529 2.432 0.704 0.936 1.000 0.929 C 1.955 15 residues pruned to eliminate duplicates Z: 8 10.103 1.962 0.340 0.686 0.857 0.571 CA 1.429 8 residues pruned to eliminate duplicates Z: 17 23.121 2.027 0.440 0.820 0.938 0.688 CA 1.601 17 residues pruned to eliminate duplicates Z: 6 6.203 1.712 0.008 0.822 1.000 0.600 CA 1.216 6 residues pruned to eliminate duplicates Z: 18 32.064 2.195 0.598 0.903 0.941 0.765 C 1.679 18 residues pruned to eliminate duplicates Z: 20 21.367 1.978 0.666 0.529 0.895 0.684 CB 1.615 20 residues pruned to eliminate duplicates Z: 35 51.423 2.286 0.482 0.917 1.000 0.882 CB 1.837 35 residues pruned to eliminate duplicates Z: 24 46.274 2.159 0.825 0.858 1.000 0.783 C 1.804 24 residues pruned to eliminate duplicates Z: 34 45.271 2.277 0.375 0.900 0.970 0.909 CA 1.854 34 residues pruned to eliminate duplicates Z: 36 45.529 2.170 0.838 0.684 0.971 0.714 CB 1.677 36 residues pruned to eliminate duplicates Z: 34 44.728 2.248 0.863 0.627 1.000 0.727 CB 1.650 34 residues pruned to eliminate duplicates Z: 6 9.781 1.999 0.313 0.761 0.800 0.600 CB 1.653 6 residues pruned to eliminate duplicates Z: 13 33.271 2.200 0.898 0.880 1.000 0.750 CB 1.667 13 residues pruned to eliminate duplicates Z: 22 70.189 2.313 1.456 0.964 1.000 0.667 CB 1.842 24 residues pruned to eliminate duplicates Z: 6 4.993 1.876 0.144 0.593 1.000 0.600 CA 0.952 6 residues pruned to eliminate duplicates Z: 24 42.699 2.324 0.517 0.887 0.957 0.870 CB 1.903 24 residues pruned to eliminate duplicates Z: 42 40.723 2.225 0.610 0.664 0.902 0.610 CB 1.690 34 residues pruned to eliminate duplicates Z: 20 48.463 2.283 0.820 0.897 1.000 0.842 CA 1.916 20 residues pruned to eliminate duplicates Z: 36 59.576 2.155 0.884 0.900 1.000 0.600 C 1.772 36 residues pruned to eliminate duplicates Z: 38 55.305 2.267 0.558 0.913 1.000 0.811 CB 1.822 38 residues pruned to eliminate duplicates Z: 93 91.721 2.337 0.851 0.787 0.957 0.880 CB 1.795 93 residues pruned to eliminate duplicates Z: 8 9.745 1.900 0.063 0.864 1.000 0.857 CA 1.336 8 residues pruned to eliminate duplicates Z: 24 20.745 2.034 0.579 0.479 0.957 0.652 CB 1.439 25 residues pruned to eliminate duplicates Z: 19 43.767 2.255 0.840 0.933 1.000 0.944 C 1.735 19 residues pruned to eliminate duplicates Z: 36 47.100 2.304 0.865 0.629 0.914 0.629 CB 1.795 36 residues pruned to eliminate duplicates Z: 21 34.710 2.082 0.810 0.874 0.950 0.650 CB 1.578 21 residues pruned to eliminate duplicates Z: 44 51.991 2.330 0.663 0.643 0.953 0.744 CB 1.878 44 residues pruned to eliminate duplicates Z: 22 36.759 2.289 0.724 0.942 1.000 0.952 CB 1.410 22 residues pruned to eliminate duplicates Z: 19 37.982 2.424 0.513 0.862 0.944 0.778 CB 1.898 19 residues pruned to eliminate duplicates Z: 15 25.701 2.196 0.561 0.881 0.857 0.786 CB 1.692 15 residues pruned to eliminate duplicates Z: 14 21.538 1.825 0.818 0.878 0.923 0.846 CB 1.416 14 residues pruned to eliminate duplicates Z: 34 33.148 2.203 0.417 0.680 0.879 0.606 CA 1.782 34 residues pruned to eliminate duplicates Z: 58 44.286 2.152 0.942 0.491 0.895 0.614 CB 1.582 58 residues pruned to eliminate duplicates Z: 13 21.601 1.944 0.605 0.929 0.917 0.917 CA 1.526 13 residues pruned to eliminate duplicates Z: 8 9.303 1.800 0.583 0.801 0.714 0.714 C 1.328 8 residues pruned to eliminate duplicates Z: 32 43.661 2.308 0.787 0.682 0.871 0.645 CB 1.848 32 residues pruned to eliminate duplicates Z: 28 25.260 2.118 0.582 0.429 0.926 0.593 CB 1.688 28 residues pruned to eliminate duplicates Z: 28 32.640 2.212 0.897 0.670 0.778 0.481 CB 1.645 28 residues pruned to eliminate duplicates Z: 8 8.345 1.901 0.397 0.450 0.857 0.571 CB 1.458 9 residues pruned to eliminate duplicates Z: 59 48.839 2.242 0.772 0.603 0.897 0.672 CB 1.632 59 residues pruned to eliminate duplicates Z: 45 50.513 2.290 0.686 0.620 0.955 0.659 CB 1.845 44 residues pruned to eliminate duplicates Z: 18 33.686 2.162 0.713 0.905 0.941 0.882 C 1.668 18 residues pruned to eliminate duplicates Z: 16 26.682 2.110 0.379 0.902 1.000 0.933 CB 1.689 16 residues pruned to eliminate duplicates Z: 39 48.011 2.285 0.308 0.883 1.000 0.868 CB 1.885 39 residues pruned to eliminate duplicates Z: 31 40.647 2.091 0.599 0.875 1.000 0.800 CB 1.614 31 residues pruned to eliminate duplicates Z: 24 42.736 2.292 0.483 0.890 1.000 0.826 CA 1.886 25 residues pruned to eliminate duplicates Z: 107 89.747 2.357 0.711 0.759 0.972 0.755 CB 1.767 107 residues pruned to eliminate duplicates Z: 17 30.063 2.345 0.320 0.921 1.000 0.812 CB 1.708 17 residues pruned to eliminate duplicates Z: 12 23.444 2.010 0.539 0.904 1.000 0.818 CB 1.628 12 residues pruned to eliminate duplicates Z: 12 19.280 2.012 0.430 0.921 1.000 1.000 CB 1.422 12 residues pruned to eliminate duplicates Z: 9 13.643 2.005 0.466 0.672 0.875 0.250 C 1.601 9 residues pruned to eliminate duplicates Z: 8 5.559 1.829 0.403 0.435 0.714 0.429 CA 1.225 8 residues pruned to eliminate duplicates Z: 10 23.440 2.087 0.856 0.861 0.889 0.778 C 1.667 10 residues pruned to eliminate duplicates Z: 19 37.987 2.194 0.667 0.902 1.000 0.778 CB 1.747 19 residues pruned to eliminate duplicates Z: 25 39.175 2.230 0.491 0.856 0.958 0.750 CA 1.851 25 residues pruned to eliminate duplicates Z: 151 104.616 2.318 0.817 0.708 0.953 0.653 CB 1.761 151 residues pruned to eliminate duplicates Z: 24 37.330 2.193 0.834 0.924 0.957 0.783 CB 1.421 24 residues pruned to eliminate duplicates Z: 43 56.630 2.394 0.650 0.676 0.976 0.714 CB 1.926 43 residues pruned to eliminate duplicates Z: 12 15.445 1.844 0.385 0.904 1.000 0.727 CB 1.299 12 residues pruned to eliminate duplicates Z: 23 15.900 1.812 0.805 0.379 0.955 0.545 CB 1.236 23 residues pruned to eliminate duplicates Z: 105 65.466 2.229 0.742 0.560 0.952 0.692 CB 1.639 105 residues pruned to eliminate duplicates Z: 20 38.927 2.225 0.594 0.892 1.000 0.895 CA 1.809 20 residues pruned to eliminate duplicates Z: 8 8.735 1.878 0.102 0.803 0.857 0.714 CA 1.428 8 residues pruned to eliminate duplicates Z: 12 18.463 1.977 0.273 0.928 1.000 0.909 CA 1.549 12 residues pruned to eliminate duplicates Z: 46 41.351 2.203 0.742 0.594 0.889 0.622 CB 1.651 46 residues pruned to eliminate duplicates Z: 17 35.589 2.225 0.657 0.887 1.000 0.875 CA 1.741 17 residues pruned to eliminate duplicates Z: 13 19.831 1.888 0.586 0.896 0.917 0.917 CB 1.493 13 residues pruned to eliminate duplicates Z: 24 40.326 2.201 0.875 0.936 0.957 0.826 CB 1.484 24 residues pruned to eliminate duplicates Z: 46 57.577 2.343 0.837 0.629 1.000 0.756 CB 1.766 46 residues pruned to eliminate duplicates Z: 25 41.633 2.294 0.480 0.880 0.958 0.875 CB 1.893 24 residues pruned to eliminate duplicates Z: 14 24.260 1.843 0.740 0.937 1.000 0.923 CB 1.461 14 residues pruned to eliminate duplicates Z: 22 58.211 2.315 1.141 0.951 0.952 0.857 CB 1.854 22 residues pruned to eliminate duplicates Z: 14 22.852 1.846 0.648 0.889 1.000 0.923 CA 1.501 14 residues pruned to eliminate duplicates Z: 36 45.579 2.221 0.376 0.919 1.000 0.857 CB 1.776 36 residues pruned to eliminate duplicates Z: 41 48.181 2.234 0.424 0.901 0.975 0.900 CB 1.753 41 residues pruned to eliminate duplicates Z: 20 33.904 2.278 0.617 0.900 0.947 0.842 CB 1.592 20 residues pruned to eliminate duplicates Z: 26 48.609 2.267 0.823 0.888 0.960 0.560 CB 1.766 26 residues pruned to eliminate duplicates Z: 19 35.418 2.182 0.781 0.835 0.944 0.611 CB 1.703 19 residues pruned to eliminate duplicates Z: 7 10.291 1.649 0.667 0.831 1.000 0.667 CB 1.148 Z: 104 92.168 2.305 0.901 0.738 0.971 0.728 CB 1.725 104 residues pruned to eliminate duplicates Z: 32 42.741 2.088 0.744 0.858 0.968 0.645 CB 1.603 32 residues pruned to eliminate duplicates Z: 17 41.513 2.244 0.856 0.920 1.000 0.562 CB 1.755 17 residues pruned to eliminate duplicates Z: 14 16.774 1.795 0.329 0.890 1.000 0.923 CA 1.403 14 residues pruned to eliminate duplicates Z: 24 44.743 2.306 0.628 0.863 0.957 0.696 C 1.906 24 residues pruned to eliminate duplicates Z: 6 14.467 2.157 0.337 0.732 1.000 0.400 CA 1.821 6 residues pruned to eliminate duplicates Z: 31 43.741 2.050 0.781 0.898 0.967 0.733 CB 1.619 31 residues pruned to eliminate duplicates Z: 8 9.659 1.889 0.180 0.599 1.000 0.714 CB 1.491 8 residues pruned to eliminate duplicates Z: 14 15.435 2.084 0.441 0.656 0.923 0.615 CB 1.336 14 residues pruned to eliminate duplicates Z: 22 36.880 2.227 0.550 0.956 1.000 1.000 CB 1.602 22 residues pruned to eliminate duplicates Z: 76 81.637 2.245 0.908 0.763 0.960 0.813 CB 1.815 76 residues pruned to eliminate duplicates Z: 7 11.821 1.927 0.493 0.866 1.000 1.000 CB 1.228 7 residues pruned to eliminate duplicates Z: 15 34.589 2.025 1.022 0.936 1.000 0.929 CB 1.573 15 residues pruned to eliminate duplicates Z: 110 70.332 2.259 0.808 0.549 0.945 0.651 CB 1.665 111 residues pruned to eliminate duplicates Z: 9 6.604 1.852 0.101 0.697 0.875 0.625 CB 1.094 9 residues pruned to eliminate duplicates Z: 15 27.467 2.136 0.500 0.873 1.000 0.714 CA 1.669 15 residues pruned to eliminate duplicates Z: 14 14.405 1.847 0.340 0.869 0.923 0.923 CB 1.278 14 residues pruned to eliminate duplicates Z: 8 10.342 1.965 0.203 0.578 1.000 0.714 CB 1.534 8 residues pruned to eliminate duplicates Z: 70 84.303 2.278 1.009 0.792 0.986 0.652 CB 1.741 70 residues pruned to eliminate duplicates Z: 22 51.356 2.308 1.250 0.938 1.000 0.857 CB 1.501 22 residues pruned to eliminate duplicates Z: 34 41.215 2.263 0.333 0.861 0.939 0.879 CA 1.861 34 residues pruned to eliminate duplicates Z: 25 36.234 2.241 0.391 0.863 1.000 0.792 CB 1.742 25 residues pruned to eliminate duplicates Z: 25 18.541 2.003 0.491 0.474 0.917 0.667 CB 1.419 25 residues pruned to eliminate duplicates Z: 31 32.262 1.928 0.636 0.838 0.967 0.667 CB 1.444 31 residues pruned to eliminate duplicates Z: 19 27.712 2.172 0.275 0.898 0.944 0.889 CB 1.786 19 residues pruned to eliminate duplicates Z: 23 54.409 2.250 1.050 0.949 0.955 0.909 CB 1.818 23 residues pruned to eliminate duplicates Z: 174 98.353 2.255 0.712 0.700 0.948 0.751 CB 1.702 216 residues pruned to eliminate duplicates Z: 35 50.240 2.313 0.513 0.915 0.971 0.882 CB 1.793 35 residues pruned to eliminate duplicates Z: 18 35.651 2.206 0.758 0.881 1.000 0.765 CB 1.615 18 residues pruned to eliminate duplicates Z: 12 19.198 1.843 0.641 0.868 1.000 1.000 CA 1.398 Z: 34 23.827 1.929 0.601 0.564 0.970 0.545 CB 1.302 34 residues pruned to eliminate duplicates Z: 30 29.648 2.222 0.678 0.541 0.862 0.621 CB 1.646 30 residues pruned to eliminate duplicates Z: 10 5.899 1.849 0.153 0.276 0.889 0.333 CB 1.338 10 residues pruned to eliminate duplicates Z: 26 16.252 1.952 0.485 0.462 0.880 0.600 CB 1.325 26 residues pruned to eliminate duplicates Z: 24 37.712 2.175 0.782 0.926 1.000 0.913 CB 1.422 24 residues pruned to eliminate duplicates Z: 61 51.001 2.174 0.885 0.559 1.000 0.733 CB 1.517 61 residues pruned to eliminate duplicates Z: 40 75.644 2.307 1.035 0.903 1.000 0.692 C 1.838 40 residues pruned to eliminate duplicates Z: 8 10.526 1.995 0.343 0.777 0.857 0.571 CB 1.356 8 residues pruned to eliminate duplicates Z: 12 15.794 1.833 0.425 0.829 0.909 0.818 CB 1.509 12 residues pruned to eliminate duplicates Z: 11 17.679 2.182 0.277 0.770 0.900 0.600 CB 1.756 11 residues pruned to eliminate duplicates Z: 74 78.367 2.299 0.905 0.723 0.945 0.767 CB 1.812 74 residues pruned to eliminate duplicates Z: 13 24.531 2.097 0.847 0.655 0.917 0.750 CB 1.726 13 residues pruned to eliminate duplicates Z: 6 6.331 2.101 -0.300 0.751 1.000 0.600 CA 1.539 6 residues pruned to eliminate duplicates Z: 45 38.583 2.218 0.579 0.604 0.886 0.682 CB 1.697 12 residues pruned to eliminate duplicates Z: 10 15.054 2.166 0.682 0.517 0.889 0.778 CA 1.524 10 residues pruned to eliminate duplicates Z: 6 5.781 1.751 -0.014 0.721 1.000 0.400 CA 1.226 6 residues pruned to eliminate duplicates Z: 13 28.686 2.058 0.722 0.908 1.000 0.750 CB 1.660 13 residues pruned to eliminate duplicates Z: 15 28.071 2.003 0.678 0.889 1.000 0.857 CB 1.607 15 residues pruned to eliminate duplicates Z: 17 28.668 2.382 0.465 0.821 0.812 0.812 C 1.914 17 residues pruned to eliminate duplicates Z: 26 36.933 2.187 0.526 0.858 0.960 0.720 CB 1.698 26 residues pruned to eliminate duplicates Z: 45 48.990 2.206 0.785 0.640 0.977 0.659 CB 1.684 45 residues pruned to eliminate duplicates Z: 39 64.294 2.252 0.820 0.890 1.000 0.763 CB 1.831 39 residues pruned to eliminate duplicates Z: 43 56.695 2.346 0.927 0.658 0.952 0.714 CB 1.755 43 residues pruned to eliminate duplicates Z: 78 58.096 2.232 0.727 0.584 0.948 0.649 CB 1.672 78 residues pruned to eliminate duplicates Z: 10 6.473 1.927 -0.010 0.336 0.889 0.444 CB 1.521 Z: 7 26.361 2.340 0.979 0.861 1.000 0.333 CB 1.708 7 residues pruned to eliminate duplicates Z: 20 17.586 1.983 0.606 0.417 0.895 0.789 CA 1.544 20 residues pruned to eliminate duplicates Z: 23 29.481 2.193 0.241 0.892 1.000 0.864 CB 1.659 23 residues pruned to eliminate duplicates Z: 9 22.557 2.164 0.788 0.830 1.000 0.625 CB 1.549 9 residues pruned to eliminate duplicates Z: 34 41.322 2.245 0.313 0.912 1.000 0.879 CB 1.727 34 residues pruned to eliminate duplicates Z: 15 44.748 2.091 1.459 0.897 1.000 0.786 CA 1.665 15 residues pruned to eliminate duplicates Z: 13 12.944 1.589 0.468 0.845 0.917 0.583 CB 1.300 13 residues pruned to eliminate duplicates Z: 32 39.648 2.055 0.710 0.849 0.935 0.710 CB 1.606 32 residues pruned to eliminate duplicates Z: 25 44.598 2.291 0.686 0.863 0.917 0.667 C 1.888 25 residues pruned to eliminate duplicates Z: 25 42.087 2.189 0.843 0.898 0.917 0.667 C 1.662 25 residues pruned to eliminate duplicates Z: 38 61.253 2.263 0.743 0.915 1.000 0.676 CB 1.805 38 residues pruned to eliminate duplicates Z: 25 43.285 2.229 0.604 0.875 0.958 0.875 CB 1.877 25 residues pruned to eliminate duplicates Z: 13 11.072 1.669 0.153 0.898 0.917 0.833 CA 1.296 13 residues pruned to eliminate duplicates Z: 17 24.549 2.047 0.470 0.866 1.000 0.750 CB 1.494 17 residues pruned to eliminate duplicates Z: 36 74.071 2.232 1.222 0.912 1.000 0.714 CB 1.788 36 residues pruned to eliminate duplicates Z: 23 49.647 2.192 1.325 0.957 1.000 0.818 CB 1.425 23 residues pruned to eliminate duplicates Z: 6 5.482 1.448 0.843 0.782 0.800 0.600 CA 0.896 6 residues pruned to eliminate duplicates Z: 22 38.515 2.209 0.614 0.952 1.000 0.952 CB 1.623 22 residues pruned to eliminate duplicates Z: 9 15.474 2.051 0.512 0.777 1.000 0.875 CB 1.382 13 residues pruned to eliminate duplicates Z: 24 18.527 2.039 0.440 0.450 0.957 0.739 CB 1.448 24 residues pruned to eliminate duplicates Z: 10 7.943 2.009 0.162 0.378 0.889 0.667 CB 1.452 10 residues pruned to eliminate duplicates Z: 10 20.916 1.928 0.976 0.630 1.000 0.778 C 1.619 10 residues pruned to eliminate duplicates Z: 20 20.626 2.106 0.047 0.929 0.947 0.895 CB 1.585 20 residues pruned to eliminate duplicates Z: 8 17.374 2.265 0.584 0.813 0.857 0.714 CA 1.626 8 residues pruned to eliminate duplicates Z: 23 23.296 2.097 0.690 0.522 0.818 0.545 CB 1.677 23 residues pruned to eliminate duplicates Z: 8 17.505 2.259 0.175 0.895 1.000 0.571 CA 1.787 8 residues pruned to eliminate duplicates Z: 18 28.735 2.158 0.798 0.581 0.941 0.588 CB 1.765 18 residues pruned to eliminate duplicates Z: 55 47.536 2.164 0.716 0.652 0.926 0.648 CB 1.633 55 residues pruned to eliminate duplicates Z: 17 21.249 1.958 0.281 0.876 1.000 0.875 CB 1.540 17 residues pruned to eliminate duplicates Z: 15 17.339 1.694 0.514 0.899 1.000 0.929 CB 1.291 15 residues pruned to eliminate duplicates Z: 9 13.825 2.030 0.285 0.770 0.875 0.750 C 1.687 9 residues pruned to eliminate duplicates Z: 83 56.861 2.285 0.444 0.669 0.963 0.805 CB 1.689 83 residues pruned to eliminate duplicates Z: 35 51.751 2.226 0.775 0.929 0.912 0.794 CB 1.724 35 residues pruned to eliminate duplicates Z: 16 25.412 2.205 0.657 0.924 0.933 0.867 CB 1.351 16 residues pruned to eliminate duplicates Z: 10 16.659 1.959 0.466 0.745 1.000 0.889 CB 1.554 10 residues pruned to eliminate duplicates Z: 8 7.196 1.468 0.562 0.870 1.000 0.857 CB 0.866 8 residues pruned to eliminate duplicates Z: 27 44.173 2.295 0.830 0.684 1.000 0.769 CB 1.742 27 residues pruned to eliminate duplicates Z: 35 76.082 2.261 1.195 0.937 1.000 0.824 CB 1.830 35 residues pruned to eliminate duplicates Z: 13 26.433 1.933 0.757 0.910 1.000 0.917 CB 1.593 14 residues pruned to eliminate duplicates Z: 10 9.845 1.799 0.371 0.857 0.889 0.667 CB 1.103 10 residues pruned to eliminate duplicates Z: 44 54.607 2.365 0.691 0.684 0.930 0.674 CB 1.890 44 residues pruned to eliminate duplicates Z: 11 8.478 1.917 0.493 0.340 0.900 0.600 CB 1.240 11 residues pruned to eliminate duplicates Z: 10 6.840 1.753 0.491 0.319 0.778 0.556 CB 1.370 10 residues pruned to eliminate duplicates Z: 17 40.018 2.389 0.655 0.882 1.000 0.875 CB 1.831 17 residues pruned to eliminate duplicates Z: 14 6.999 1.694 0.234 0.510 0.846 0.231 CA 1.086 14 residues pruned to eliminate duplicates Z: 19 35.528 2.235 0.736 0.926 0.944 0.889 CB 1.603 19 residues pruned to eliminate duplicates Z: 7 6.282 1.880 -0.128 0.888 1.000 1.000 CB 1.126 7 residues pruned to eliminate duplicates Z: 19 46.599 2.224 1.027 0.931 1.000 0.722 C 1.702 19 residues pruned to eliminate duplicates Z: 11 8.552 1.642 0.695 0.487 0.800 0.700 N 1.231 11 residues pruned to eliminate duplicates Z: 10 11.513 1.934 0.242 0.692 0.889 0.556 CA 1.508 10 residues pruned to eliminate duplicates Z: 42 36.838 2.227 0.643 0.513 0.902 0.610 CB 1.721 42 residues pruned to eliminate duplicates Z: 29 29.162 2.244 0.504 0.667 0.857 0.571 CB 1.633 29 residues pruned to eliminate duplicates Z: 18 43.639 2.479 0.662 0.856 1.000 0.765 CB 1.895 18 residues pruned to eliminate duplicates Z: 64 40.370 2.143 0.765 0.476 0.905 0.651 CB 1.522 64 residues pruned to eliminate duplicates Z: 23 53.405 2.219 1.120 0.948 0.955 0.727 CB 1.751 23 residues pruned to eliminate duplicates Z: 8 20.669 2.098 0.612 0.898 1.000 0.714 C 1.652 8 residues pruned to eliminate duplicates Z: 42 62.316 2.227 0.808 0.876 0.976 0.610 C 1.801 42 residues pruned to eliminate duplicates Z: 6 9.548 2.284 -0.077 0.841 1.000 0.800 CB 1.510 6 residues pruned to eliminate duplicates Z: 40 23.518 1.916 0.496 0.509 0.897 0.641 CB 1.452 50 residues pruned to eliminate duplicates Z: 13 11.653 1.588 0.372 0.858 0.917 0.833 CB 1.240 13 residues pruned to eliminate duplicates Z: 76 79.526 2.273 0.935 0.758 0.960 0.693 CB 1.730 76 residues pruned to eliminate duplicates Z: 50 48.707 2.154 0.611 0.690 0.959 0.776 CB 1.757 50 residues pruned to eliminate duplicates Z: 55 47.977 2.154 0.876 0.546 0.963 0.667 CB 1.604 55 residues pruned to eliminate duplicates Z: 12 5.767 1.814 0.162 0.497 0.818 0.545 CB 1.011 12 residues pruned to eliminate duplicates Z: 32 39.115 2.082 0.601 0.886 0.935 0.645 CB 1.626 32 residues pruned to eliminate duplicates Z: 14 14.325 1.747 0.428 0.941 0.923 0.923 CB 1.198 14 residues pruned to eliminate duplicates Z: 23 51.740 2.250 1.007 0.943 1.000 0.818 CB 1.693 23 residues pruned to eliminate duplicates Z: 43 67.510 2.420 0.991 0.672 0.976 0.738 CB 1.889 43 residues pruned to eliminate duplicates Z: 19 29.686 2.286 0.434 0.875 1.000 0.556 CB 1.553 19 residues pruned to eliminate duplicates Z: 25 39.504 2.098 0.978 0.903 1.000 0.833 CB 1.384 25 residues pruned to eliminate duplicates Z: 22 67.956 2.313 1.407 0.966 1.000 0.619 CB 1.818 22 residues pruned to eliminate duplicates Z: 35 50.815 2.264 0.526 0.930 1.000 0.912 CB 1.764 35 residues pruned to eliminate duplicates Z: 6 7.962 1.889 0.239 0.805 0.800 0.600 CA 1.458 6 residues pruned to eliminate duplicates Z: 20 34.519 2.280 0.655 0.899 0.947 0.789 CB 1.582 20 residues pruned to eliminate duplicates Z: 10 9.408 1.957 0.251 0.786 0.778 0.667 CB 1.280 10 residues pruned to eliminate duplicates Z: 26 38.739 2.168 0.613 0.851 0.960 0.800 C 1.707 26 residues pruned to eliminate duplicates Z: 41 49.463 2.289 0.343 0.886 0.950 0.825 CB 1.932 41 residues pruned to eliminate duplicates Z: 42 61.262 2.393 0.763 0.718 0.951 0.732 CB 1.958 42 residues pruned to eliminate duplicates Z: 10 17.142 1.984 0.445 0.786 1.000 1.000 CA 1.550 10 residues pruned to eliminate duplicates Z: 6 4.175 1.596 0.494 0.662 1.000 1.000 N 0.674 Z: 10 26.283 2.227 0.924 0.666 1.000 0.778 CA 1.753 10 residues pruned to eliminate duplicates Z: 24 37.285 2.191 0.810 0.933 0.957 0.913 CB 1.430 24 residues pruned to eliminate duplicates Z: 35 44.077 2.230 0.672 0.680 1.000 0.676 CB 1.718 35 residues pruned to eliminate duplicates Z: 16 33.055 2.337 0.358 0.926 1.000 0.933 CA 1.886 16 residues pruned to eliminate duplicates Z: 35 35.365 2.198 0.808 0.603 0.882 0.647 CB 1.568 35 residues pruned to eliminate duplicates Z: 19 13.731 1.905 0.475 0.450 0.944 0.611 CB 1.284 7 residues pruned to eliminate duplicates Z: 9 10.600 1.907 0.257 0.667 1.000 0.625 CB 1.340 9 residues pruned to eliminate duplicates Z: 70 70.386 2.178 0.873 0.756 0.928 0.696 CB 1.783 70 residues pruned to eliminate duplicates Z: 58 55.201 2.275 0.862 0.692 0.930 0.737 CB 1.558 58 residues pruned to eliminate duplicates Z: 65 38.774 2.109 0.675 0.468 0.922 0.547 CB 1.538 65 residues pruned to eliminate duplicates Z: 10 12.700 1.640 0.998 0.657 0.889 0.778 C 1.257 10 residues pruned to eliminate duplicates Z: 18 42.285 2.293 0.812 0.931 1.000 0.824 CB 1.725 18 residues pruned to eliminate duplicates Z: 24 32.876 2.084 0.615 0.858 0.870 0.783 CB 1.725 24 residues pruned to eliminate duplicates Z: 39 69.382 2.292 0.878 0.899 1.000 0.737 C 1.869 39 residues pruned to eliminate duplicates Z: 9 13.289 2.256 0.112 0.826 0.875 0.750 CB 1.615 9 residues pruned to eliminate duplicates Z: 19 27.385 2.132 0.642 0.812 0.889 0.556 CB 1.581 19 residues pruned to eliminate duplicates Z: 32 44.715 2.066 0.784 0.861 1.000 0.613 CB 1.601 32 residues pruned to eliminate duplicates Z: 27 28.206 2.153 0.710 0.462 0.923 0.731 CB 1.692 27 residues pruned to eliminate duplicates Z: 19 31.637 2.098 0.712 0.905 1.000 0.778 CB 1.478 19 residues pruned to eliminate duplicates Z: 12 16.225 1.691 0.678 0.898 1.000 0.818 CB 1.233 12 residues pruned to eliminate duplicates Z: 20 16.252 1.913 0.696 0.553 0.895 0.526 CB 1.219 20 residues pruned to eliminate duplicates Z: 18 52.150 2.293 1.051 0.955 1.000 0.765 CA 1.848 18 residues pruned to eliminate duplicates Z: 10 11.670 1.753 1.130 0.575 1.000 0.778 CB 0.969 10 residues pruned to eliminate duplicates Z: 12 18.176 1.949 0.754 0.591 1.000 0.727 CA 1.469 12 residues pruned to eliminate duplicates Z: 47 39.514 2.127 0.622 0.607 0.913 0.609 CB 1.670 47 residues pruned to eliminate duplicates Z: 45 44.222 2.213 0.632 0.630 0.977 0.682 CB 1.671 41 residues pruned to eliminate duplicates Z: 22 30.402 2.183 0.498 0.821 0.905 0.667 C 1.698 22 residues pruned to eliminate duplicates Z: 28 22.377 2.097 0.552 0.429 0.926 0.667 CB 1.539 28 residues pruned to eliminate duplicates Z: 28 39.426 2.373 0.679 0.680 0.963 0.741 CB 1.675 28 residues pruned to eliminate duplicates Z: 31 45.408 2.074 0.822 0.851 0.967 0.733 CB 1.680 31 residues pruned to eliminate duplicates Z: 28 36.089 2.281 0.802 0.679 0.926 0.667 CB 1.548 28 residues pruned to eliminate duplicates Z: 7 9.386 2.106 0.219 0.434 1.000 0.833 CB 1.598 7 residues pruned to eliminate duplicates Z: 7 5.066 2.045 0.260 0.410 0.833 0.667 CB 1.059 7 residues pruned to eliminate duplicates Z: 31 44.688 2.082 0.782 0.867 0.967 0.733 CB 1.664 31 residues pruned to eliminate duplicates Z: 39 63.630 2.282 0.763 0.883 1.000 0.711 C 1.855 39 residues pruned to eliminate duplicates Z: 37 38.047 2.281 0.753 0.636 0.889 0.694 CB 1.571 37 residues pruned to eliminate duplicates Z: 16 39.425 1.962 1.282 0.916 1.000 0.867 CB 1.605 16 residues pruned to eliminate duplicates Z: 115 91.843 2.304 0.863 0.729 0.947 0.658 CB 1.721 115 residues pruned to eliminate duplicates Z: 31 51.171 2.332 0.945 0.640 1.000 0.667 CB 1.806 31 residues pruned to eliminate duplicates Z: 8 9.781 1.818 -0.013 0.818 1.000 0.714 CA 1.562 8 residues pruned to eliminate duplicates Z: 20 38.994 2.159 0.743 0.912 1.000 0.947 C 1.684 20 residues pruned to eliminate duplicates Z: 13 18.862 1.890 0.510 0.911 1.000 1.000 CB 1.352 13 residues pruned to eliminate duplicates Z: 131 67.570 2.218 0.624 0.595 0.938 0.715 CB 1.601 131 residues pruned to eliminate duplicates Z: 23 34.658 2.270 0.618 0.937 1.000 0.955 CB 1.400 23 residues pruned to eliminate duplicates Z: 23 38.761 2.265 0.590 0.935 1.000 0.864 CB 1.599 23 residues pruned to eliminate duplicates Z: 6 5.623 1.833 0.239 0.774 0.600 0.600 CB 1.448 6 residues pruned to eliminate duplicates Z: 56 53.416 2.308 0.765 0.598 0.927 0.655 CB 1.737 56 residues pruned to eliminate duplicates Z: 24 53.586 2.154 1.074 0.941 1.000 0.870 CB 1.735 24 residues pruned to eliminate duplicates Z: 19 12.521 1.931 0.365 0.429 0.889 0.500 CB 1.356 19 residues pruned to eliminate duplicates Z: 112 86.531 2.296 0.681 0.780 0.964 0.865 CB 1.724 112 residues pruned to eliminate duplicates Z: 25 34.715 2.202 0.381 0.886 0.917 0.708 CA 1.834 25 residues pruned to eliminate duplicates Z: 7 3.927 1.746 0.133 0.473 0.833 0.667 CB 0.999 7 residues pruned to eliminate duplicates Z: 40 64.271 2.296 0.807 0.875 0.949 0.769 CB 1.902 40 residues pruned to eliminate duplicates Z: 14 41.355 2.340 0.921 0.918 1.000 0.923 CB 1.800 14 residues pruned to eliminate duplicates Z: 18 10.009 1.954 0.492 0.514 0.882 0.471 CB 0.931 18 residues pruned to eliminate duplicates Z: 12 13.346 1.686 0.393 0.900 1.000 0.818 CB 1.224 12 residues pruned to eliminate duplicates Z: 6 14.111 2.155 0.324 0.781 1.000 0.800 CA 1.726 6 residues pruned to eliminate duplicates Z: 18 42.427 2.255 0.878 0.940 1.000 0.882 C 1.687 18 residues pruned to eliminate duplicates Z: 36 47.838 2.130 0.923 0.670 1.000 0.829 CB 1.687 36 residues pruned to eliminate duplicates Z: 9 8.243 1.780 0.138 0.553 0.875 0.500 N 1.562 9 residues pruned to eliminate duplicates Z: 17 25.615 2.075 0.614 0.855 0.875 0.750 CB 1.613 17 residues pruned to eliminate duplicates Z: 18 42.185 2.161 1.071 0.954 1.000 0.529 CB 1.572 18 residues pruned to eliminate duplicates Z: 6 4.874 1.600 0.237 0.789 1.000 1.000 CB 0.854 6 residues pruned to eliminate duplicates Z: 6 8.562 1.712 0.682 0.835 1.000 0.800 CB 0.996 6 residues pruned to eliminate duplicates Z: 13 19.174 2.062 0.409 0.647 1.000 0.667 C 1.661 13 residues pruned to eliminate duplicates Z: 30 44.057 2.304 0.934 0.682 0.897 0.724 CB 1.732 30 residues pruned to eliminate duplicates Z: 30 51.033 2.158 0.809 0.877 1.000 0.690 CB 1.763 30 residues pruned to eliminate duplicates Z: 22 33.571 2.031 0.578 0.892 1.000 0.619 CB 1.642 22 residues pruned to eliminate duplicates Z: 76 85.411 2.280 0.960 0.778 0.973 0.760 CB 1.774 76 residues pruned to eliminate duplicates Z: 8 8.883 1.776 0.482 0.599 1.000 0.571 CB 1.160 8 residues pruned to eliminate duplicates Z: 31 46.512 2.137 0.769 0.879 0.967 0.800 CB 1.685 31 residues pruned to eliminate duplicates Z: 18 40.361 2.435 0.597 0.868 0.941 0.882 CA 1.956 18 residues pruned to eliminate duplicates Z: 12 10.901 1.662 0.292 0.887 0.909 0.636 CB 1.214 12 residues pruned to eliminate duplicates Z: 7 15.131 2.154 0.459 0.859 0.833 0.500 CB 1.736 7 residues pruned to eliminate duplicates Z: 35 46.366 2.226 0.413 0.932 1.000 0.971 CB 1.766 35 residues pruned to eliminate duplicates Z: 6 2.043 1.324 0.078 0.296 0.800 0.400 CB 1.006 Z: 18 31.803 2.056 0.644 0.903 1.000 0.647 CB 1.626 18 residues pruned to eliminate duplicates Z: 13 7.869 1.919 -0.005 0.500 0.833 0.583 CB 1.428 13 residues pruned to eliminate duplicates Z: 28 48.419 2.384 0.695 0.741 0.963 0.778 CB 1.929 29 residues pruned to eliminate duplicates Z: 20 49.296 2.265 0.922 0.898 1.000 0.737 CA 1.858 20 residues pruned to eliminate duplicates Z: 36 48.562 2.185 0.915 0.748 0.971 0.857 CB 1.618 36 residues pruned to eliminate duplicates Z: 21 62.579 2.305 1.336 0.945 1.000 0.800 CB 1.798 21 residues pruned to eliminate duplicates Z: 19 40.048 2.339 0.850 0.895 0.889 0.833 C 1.758 19 residues pruned to eliminate duplicates Z: 23 37.039 2.169 0.972 0.906 0.909 0.864 CB 1.445 23 residues pruned to eliminate duplicates Z: 28 27.279 2.223 0.804 0.446 0.926 0.593 CB 1.495 28 residues pruned to eliminate duplicates Z: 19 25.674 1.995 0.423 0.888 0.944 0.833 CA 1.627 19 residues pruned to eliminate duplicates Z: 18 39.176 2.400 0.579 0.885 1.000 0.824 CB 1.810 18 residues pruned to eliminate duplicates Z: 10 10.999 2.156 0.099 0.492 1.000 0.667 CB 1.560 10 residues pruned to eliminate duplicates Z: 7 10.283 1.951 0.142 0.858 1.000 0.833 C 1.388 7 residues pruned to eliminate duplicates Z: 78 79.229 2.246 0.939 0.761 0.935 0.701 CB 1.758 78 residues pruned to eliminate duplicates Z: 33 46.693 2.033 0.880 0.818 0.969 0.688 C 1.692 32 residues pruned to eliminate duplicates Z: 8 3.667 1.755 -0.124 0.386 1.000 0.571 CB 1.017 8 residues pruned to eliminate duplicates Z: 10 16.189 2.210 0.744 0.542 1.000 0.778 CB 1.344 7 residues pruned to eliminate duplicates Z: 7 8.828 1.937 0.609 0.511 0.833 0.667 CB 1.372 7 residues pruned to eliminate duplicates Z: 12 15.238 1.685 0.606 0.918 1.000 0.909 CB 1.197 13 residues pruned to eliminate duplicates Z: 28 32.895 2.219 0.672 0.755 0.926 0.778 CB 1.469 28 residues pruned to eliminate duplicates Z: 11 18.489 2.170 0.633 0.551 0.900 0.800 CB 1.743 11 residues pruned to eliminate duplicates Z: 17 12.733 2.053 0.371 0.381 0.812 0.500 C 1.580 17 residues pruned to eliminate duplicates Z: 8 22.180 2.143 0.720 0.887 1.000 1.000 CA 1.639 8 residues pruned to eliminate duplicates Z: 35 50.681 2.181 1.085 0.744 0.941 0.824 CB 1.632 35 residues pruned to eliminate duplicates Z: 31 61.035 2.272 0.847 0.936 1.000 0.800 CB 1.850 31 residues pruned to eliminate duplicates Z: 10 13.405 2.009 0.591 0.606 0.778 0.778 C 1.625 9 residues pruned to eliminate duplicates Z: 7 11.940 1.811 0.499 0.830 1.000 0.500 CA 1.350 7 residues pruned to eliminate duplicates Z: 36 43.562 2.268 0.682 0.626 0.943 0.743 C 1.818 36 residues pruned to eliminate duplicates Z: 11 17.105 1.865 0.703 0.658 1.000 0.800 CA 1.471 10 residues pruned to eliminate duplicates Z: 25 19.491 2.005 0.584 0.474 0.917 0.750 CB 1.403 25 residues pruned to eliminate duplicates Z: 12 16.230 2.015 0.404 0.634 1.000 0.909 CA 1.525 12 residues pruned to eliminate duplicates Z: 14 16.097 2.097 0.607 0.437 0.923 0.692 CB 1.531 14 residues pruned to eliminate duplicates Z: 75 66.610 2.268 0.839 0.628 0.973 0.635 CB 1.692 75 residues pruned to eliminate duplicates Z: 10 15.583 1.814 1.096 0.562 1.000 0.778 CA 1.286 10 residues pruned to eliminate duplicates Z: 45 40.561 2.142 0.581 0.620 0.977 0.705 CB 1.649 45 residues pruned to eliminate duplicates Z: 6 2.420 1.700 0.244 0.318 0.600 0.200 CA 1.044 6 residues pruned to eliminate duplicates Z: 33 41.705 2.191 0.598 0.749 0.938 0.719 CB 1.799 34 residues pruned to eliminate duplicates Z: 71 64.248 2.282 0.921 0.614 0.943 0.743 CB 1.668 71 residues pruned to eliminate duplicates Z: 35 47.702 2.260 0.828 0.586 0.971 0.588 CB 1.879 35 residues pruned to eliminate duplicates Z: 15 29.943 2.238 0.728 0.674 1.000 0.714 C 1.763 15 residues pruned to eliminate duplicates Z: 8 4.884 1.529 0.267 0.741 0.714 0.571 CA 1.075 8 residues pruned to eliminate duplicates Z: 13 11.389 1.565 0.433 0.878 0.917 0.750 CB 1.161 13 residues pruned to eliminate duplicates Z: 15 28.594 2.399 0.782 0.529 0.929 0.786 CA 1.871 15 residues pruned to eliminate duplicates Z: 15 22.698 2.197 0.638 0.584 0.929 0.857 CA 1.675 16 residues pruned to eliminate duplicates Z: 26 32.276 2.034 0.667 0.619 0.960 0.680 CB 1.772 26 residues pruned to eliminate duplicates Z: 12 7.605 2.015 -0.002 0.501 0.818 0.636 CB 1.393 12 residues pruned to eliminate duplicates Z: 23 37.273 2.387 0.732 0.624 0.909 0.727 CB 1.880 23 residues pruned to eliminate duplicates Z: 7 8.796 1.929 0.304 0.786 0.833 0.500 C 1.331 7 residues pruned to eliminate duplicates Z: 20 34.497 2.162 0.921 0.893 0.947 0.737 CB 1.444 20 residues pruned to eliminate duplicates Z: 14 22.011 1.805 0.742 0.925 1.000 0.923 CB 1.362 14 residues pruned to eliminate duplicates Z: 9 5.961 1.780 -0.101 0.724 0.875 0.375 CB 1.229 9 residues pruned to eliminate duplicates Z: 94 85.514 2.284 0.883 0.741 0.957 0.699 CB 1.735 94 residues pruned to eliminate duplicates Z: 26 38.030 2.183 1.129 0.693 0.960 0.840 CB 1.429 26 residues pruned to eliminate duplicates Z: 24 32.011 2.182 0.712 0.568 0.957 0.652 CB 1.749 24 residues pruned to eliminate duplicates Z: 8 2.708 1.481 0.167 0.196 1.000 0.571 CB 0.850 6 residues pruned to eliminate duplicates Z: 13 20.569 2.078 0.752 0.782 0.917 0.917 CB 1.387 13 residues pruned to eliminate duplicates Z: 8 13.464 2.397 0.335 0.480 1.000 0.714 CA 1.622 8 residues pruned to eliminate duplicates Z: 36 38.127 2.167 0.626 0.645 0.971 0.629 CB 1.645 36 residues pruned to eliminate duplicates Z: 36 42.528 2.351 0.656 0.688 0.943 0.686 CB 1.648 36 residues pruned to eliminate duplicates Z: 12 17.539 1.910 0.295 0.908 1.000 0.727 CA 1.519 12 residues pruned to eliminate duplicates Z: 31 33.248 2.225 0.473 0.713 0.867 0.667 CB 1.762 31 residues pruned to eliminate duplicates Z: 43 66.553 2.284 0.855 0.815 1.000 0.738 C 1.844 43 residues pruned to eliminate duplicates Z: 95 83.179 2.296 0.912 0.733 0.947 0.755 CB 1.674 95 residues pruned to eliminate duplicates Z: 16 26.479 2.281 0.982 0.720 0.933 0.800 CB 1.328 16 residues pruned to eliminate duplicates Z: 69 70.845 2.310 0.771 0.743 0.956 0.691 CB 1.767 69 residues pruned to eliminate duplicates Z: 12 19.793 2.152 0.570 0.538 1.000 0.636 CB 1.702 12 residues pruned to eliminate duplicates Z: 9 10.683 1.924 0.206 0.733 1.000 0.875 CB 1.320 9 residues pruned to eliminate duplicates Z: 39 55.660 2.189 0.728 0.891 0.974 0.763 CA 1.763 39 residues pruned to eliminate duplicates Z: 21 30.204 1.990 0.816 0.872 0.900 0.750 CB 1.514 21 residues pruned to eliminate duplicates Z: 86 83.482 2.293 0.856 0.754 0.976 0.706 CB 1.738 86 residues pruned to eliminate duplicates Z: 7 3.598 1.637 0.219 0.336 0.833 0.500 C 1.056 7 residues pruned to eliminate duplicates Z: 30 46.594 2.084 0.910 0.897 0.966 0.724 CB 1.612 30 residues pruned to eliminate duplicates Z: 36 28.236 1.987 0.630 0.562 0.914 0.629 CB 1.518 36 residues pruned to eliminate duplicates Z: 32 32.458 2.239 0.426 0.625 0.903 0.677 CB 1.798 32 residues pruned to eliminate duplicates Z: 28 45.081 2.340 0.638 0.762 0.926 0.704 CB 1.937 28 residues pruned to eliminate duplicates Z: 9 5.235 1.582 0.267 0.307 0.875 0.500 CB 1.307 9 residues pruned to eliminate duplicates Z: 33 43.062 2.267 0.932 0.671 0.969 0.750 CB 1.532 33 residues pruned to eliminate duplicates Z: 26 48.723 2.191 0.820 0.869 1.000 0.800 CA 1.785 26 residues pruned to eliminate duplicates Z: 10 17.733 1.865 0.930 0.705 1.000 0.889 CA 1.363 10 residues pruned to eliminate duplicates Z: 28 17.894 1.897 0.721 0.397 0.926 0.593 CB 1.270 28 residues pruned to eliminate duplicates Z: 52 73.524 2.337 1.011 0.810 0.941 0.804 CB 1.776 52 residues pruned to eliminate duplicates Z: 10 7.929 1.711 0.418 0.650 0.889 0.667 CB 1.066 10 residues pruned to eliminate duplicates Z: 26 41.432 2.283 0.757 0.698 0.960 0.760 CA 1.797 26 residues pruned to eliminate duplicates Z: 38 31.654 2.168 0.847 0.520 0.892 0.622 CB 1.430 38 residues pruned to eliminate duplicates Z: 25 42.327 2.278 0.670 0.874 0.917 0.833 CA 1.803 25 residues pruned to eliminate duplicates Z: 16 15.012 2.137 0.343 0.498 0.933 0.467 CB 1.450 16 residues pruned to eliminate duplicates Z: 106 87.955 2.325 0.783 0.741 0.971 0.724 CB 1.717 106 residues pruned to eliminate duplicates Z: 117 66.511 2.288 0.503 0.676 0.914 0.784 CB 1.671 117 residues pruned to eliminate duplicates Z: 7 7.538 1.642 0.415 0.793 1.000 0.833 CB 1.024 7 residues pruned to eliminate duplicates Z: 6 3.652 1.826 0.150 0.284 0.800 0.600 CB 1.240 6 residues pruned to eliminate duplicates Z: 9 9.982 1.570 0.584 0.715 0.875 0.875 C 1.335 9 residues pruned to eliminate duplicates Z: 13 19.241 2.117 0.640 0.578 1.000 0.667 CA 1.484 13 residues pruned to eliminate duplicates Z: 71 78.782 2.238 0.975 0.776 0.943 0.714 CB 1.770 71 residues pruned to eliminate duplicates Z: 101 94.982 2.352 0.946 0.760 0.960 0.760 CB 1.716 101 residues pruned to eliminate duplicates Z: 18 26.064 2.186 0.352 0.929 1.000 1.000 CB 1.497 18 residues pruned to eliminate duplicates Z: 18 40.640 2.416 0.567 0.877 1.000 0.706 CB 1.891 18 residues pruned to eliminate duplicates Z: 14 11.670 1.642 0.334 0.891 1.000 0.923 CB 1.063 14 residues pruned to eliminate duplicates Z: 41 55.877 2.422 0.661 0.695 0.950 0.725 CB 1.934 41 residues pruned to eliminate duplicates Z: 9 9.143 1.974 0.318 0.559 0.875 0.750 CB 1.341 9 residues pruned to eliminate duplicates Z: 17 32.743 2.212 0.787 0.739 1.000 0.750 CA 1.671 16 residues pruned to eliminate duplicates Z: 18 36.670 2.175 0.770 0.876 1.000 0.882 CB 1.679 18 residues pruned to eliminate duplicates Z: 14 20.896 1.984 0.870 0.572 0.923 0.769 C 1.577 14 residues pruned to eliminate duplicates Z: 8 8.447 1.495 0.461 0.832 1.000 0.857 CA 1.097 8 residues pruned to eliminate duplicates Z: 52 48.476 2.239 0.684 0.635 0.922 0.725 CB 1.721 52 residues pruned to eliminate duplicates Z: 19 36.536 2.273 0.576 0.878 1.000 0.833 CB 1.745 19 residues pruned to eliminate duplicates Z: 26 18.088 1.936 0.459 0.479 0.920 0.760 CB 1.421 26 residues pruned to eliminate duplicates Z: 10 18.111 2.172 0.577 0.595 1.000 0.556 CA 1.610 10 residues pruned to eliminate duplicates Z: 27 34.603 2.279 0.632 0.604 0.962 0.692 CB 1.718 27 residues pruned to eliminate duplicates Z: 7 8.965 2.116 0.292 0.453 1.000 0.667 CA 1.404 7 residues pruned to eliminate duplicates Z: 29 32.649 2.112 0.653 0.628 0.964 0.679 CB 1.625 29 residues pruned to eliminate duplicates Z: 13 11.840 1.567 0.341 0.893 1.000 0.833 CB 1.168 13 residues pruned to eliminate duplicates Z: 18 31.191 2.293 0.439 0.931 1.000 0.882 CB 1.602 18 residues pruned to eliminate duplicates Z: 10 8.631 1.821 0.479 0.505 0.778 0.556 C 1.366 10 residues pruned to eliminate duplicates Z: 7 6.806 1.540 0.245 0.816 1.000 0.500 CB 1.101 7 residues pruned to eliminate duplicates Z: 13 13.204 2.046 0.358 0.551 0.833 0.583 CB 1.566 13 residues pruned to eliminate duplicates Z: 55 82.727 2.316 1.092 0.821 1.000 0.852 CB 1.758 55 residues pruned to eliminate duplicates Z: 15 13.553 1.852 0.522 0.542 1.000 0.714 CB 1.233 15 residues pruned to eliminate duplicates Z: 12 19.951 2.093 0.512 0.678 1.000 0.545 CA 1.614 13 residues pruned to eliminate duplicates Z: 14 22.409 1.823 0.709 0.901 1.000 0.846 CB 1.424 13 residues pruned to eliminate duplicates Z: 11 9.732 1.697 0.241 0.870 0.900 0.800 CB 1.186 11 residues pruned to eliminate duplicates Z: 17 12.407 1.988 0.402 0.433 0.812 0.688 CB 1.468 17 residues pruned to eliminate duplicates Z: 13 12.911 1.536 0.627 0.838 0.917 0.583 CB 1.216 13 residues pruned to eliminate duplicates Z: 31 43.403 2.109 0.797 0.853 0.967 0.700 CB 1.599 31 residues pruned to eliminate duplicates Z: 6 2.303 1.207 0.445 0.728 0.600 0.400 C 0.801 6 residues pruned to eliminate duplicates 6 1.445 1.108 0.343 0.288 0.800 0.600 C 0.689 ? Z: 18 35.244 2.349 0.487 0.935 1.000 1.000 CB 1.705 18 residues pruned to eliminate duplicates Z: 18 36.226 2.244 0.962 0.633 1.000 0.588 CB 1.762 18 residues pruned to eliminate duplicates Z: 26 44.179 2.322 0.819 0.760 0.960 0.800 CB 1.730 26 residues pruned to eliminate duplicates Z: 29 34.148 2.270 0.887 0.513 0.929 0.643 CB 1.602 29 residues pruned to eliminate duplicates Z: 24 50.518 2.210 0.947 0.934 0.957 0.870 CB 1.784 24 residues pruned to eliminate duplicates Z: 9 20.159 2.111 0.636 0.654 1.000 0.625 CA 1.788 9 residues pruned to eliminate duplicates Z: 49 33.104 2.141 0.452 0.588 0.875 0.604 CB 1.614 49 residues pruned to eliminate duplicates Z: 13 11.490 1.582 0.288 0.846 1.000 0.750 CB 1.209 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 6.783 1.810 0.491 0.410 1.000 0.600 CA 1.235 6 residues pruned to eliminate duplicates Z: 7 9.085 1.870 0.476 0.559 1.000 0.833 CA 1.269 7 residues pruned to eliminate duplicates Z: 7 8.285 1.778 0.551 0.396 1.000 0.333 CA 1.369 7 residues pruned to eliminate duplicates Z: 45 43.207 2.237 0.678 0.601 0.909 0.659 CB 1.733 45 residues pruned to eliminate duplicates Z: 45 38.415 2.227 0.459 0.605 0.932 0.705 CB 1.731 45 residues pruned to eliminate duplicates Z: 44 44.502 2.240 0.599 0.646 0.930 0.721 CB 1.778 44 residues pruned to eliminate duplicates Z: 11 17.480 2.160 0.719 0.652 1.000 0.800 CB 1.293 11 residues pruned to eliminate duplicates Z: 16 12.947 2.032 0.460 0.404 0.867 0.400 CB 1.438 16 residues pruned to eliminate duplicates Z: 46 41.451 2.227 0.590 0.605 0.911 0.689 CB 1.733 46 residues pruned to eliminate duplicates Z: 47 35.784 2.177 0.532 0.591 0.891 0.587 CB 1.628 47 residues pruned to eliminate duplicates Z: 44 37.352 2.148 0.541 0.591 0.953 0.605 CB 1.654 44 residues pruned to eliminate duplicates Z: 43 36.332 2.180 0.490 0.580 0.952 0.571 CB 1.678 43 residues pruned to eliminate duplicates Z: 17 17.152 2.162 0.339 0.459 0.938 0.625 CB 1.648 17 residues pruned to eliminate duplicates Z: 44 42.242 2.244 0.585 0.601 0.930 0.628 CB 1.769 44 residues pruned to eliminate duplicates Z: 46 41.615 2.218 0.599 0.593 0.933 0.600 CB 1.715 46 residues pruned to eliminate duplicates Z: 46 38.343 2.193 0.438 0.612 0.956 0.733 CB 1.706 46 residues pruned to eliminate duplicates Z: 45 40.554 2.211 0.546 0.617 0.932 0.705 CB 1.718 45 residues pruned to eliminate duplicates Z: 7 9.098 1.950 0.447 0.421 1.000 0.500 CA 1.428 7 residues pruned to eliminate duplicates Z: 9 7.159 1.895 0.065 0.499 0.875 0.500 CB 1.435 9 residues pruned to eliminate duplicates Z: 24 42.789 2.344 0.505 0.896 0.957 0.739 CA 1.894 24 residues pruned to eliminate duplicates Z: 25 36.846 2.271 0.384 0.891 0.958 0.750 CB 1.795 25 residues pruned to eliminate duplicates Z: 28 29.713 2.233 0.461 0.736 0.852 0.667 CB 1.666 28 residues pruned to eliminate duplicates Z: 45 36.827 2.222 0.497 0.605 0.909 0.659 CB 1.661 45 residues pruned to eliminate duplicates Z: 45 41.398 2.193 0.593 0.628 0.955 0.727 CB 1.659 45 residues pruned to eliminate duplicates Z: 46 36.643 2.200 0.513 0.581 0.889 0.622 CB 1.707 46 residues pruned to eliminate duplicates Z: 46 37.438 2.211 0.465 0.595 0.911 0.711 CB 1.727 46 residues pruned to eliminate duplicates Z: 27 32.481 2.256 0.485 0.754 0.885 0.731 CB 1.715 27 residues pruned to eliminate duplicates Z: 56 40.908 2.126 0.598 0.586 0.909 0.564 CB 1.644 52 residues pruned to eliminate duplicates Z: 25 35.538 2.203 0.482 0.851 0.958 0.958 CB 1.717 25 residues pruned to eliminate duplicates Z: 68 41.117 2.089 0.553 0.609 0.896 0.597 CB 1.558 76 residues pruned to eliminate duplicates Z: 23 42.183 2.299 0.642 0.854 0.955 0.727 CB 1.843 23 residues pruned to eliminate duplicates Z: 46 41.607 2.217 0.628 0.611 0.911 0.600 CB 1.698 46 residues pruned to eliminate duplicates Z: 28 33.919 2.209 0.575 0.768 0.926 0.667 CB 1.599 28 residues pruned to eliminate duplicates Z: 47 41.476 2.176 0.670 0.587 0.935 0.609 CB 1.656 47 residues pruned to eliminate duplicates Z: 43 40.937 2.248 0.660 0.626 0.881 0.690 CB 1.706 43 residues pruned to eliminate duplicates Z: 41 39.033 2.235 0.606 0.637 0.875 0.575 CB 1.728 41 residues pruned to eliminate duplicates Z: 29 33.908 2.174 0.566 0.729 0.893 0.607 CA 1.715 29 residues pruned to eliminate duplicates Z: 45 42.226 2.216 0.598 0.612 0.932 0.705 CB 1.735 45 residues pruned to eliminate duplicates Z: 25 39.936 2.313 0.522 0.838 0.917 0.750 CA 1.888 25 residues pruned to eliminate duplicates Z: 34 44.301 2.034 0.730 0.792 1.000 0.606 CB 1.697 34 residues pruned to eliminate duplicates Z: 32 51.468 2.113 0.941 0.830 0.968 0.710 CB 1.751 32 residues pruned to eliminate duplicates Z: 20 43.145 2.209 0.800 0.881 1.000 0.842 CA 1.803 20 residues pruned to eliminate duplicates Z: 23 46.870 2.233 0.990 0.808 0.955 0.727 C 1.802 22 residues pruned to eliminate duplicates Z: 31 48.430 2.058 0.951 0.869 0.967 0.500 CB 1.663 31 residues pruned to eliminate duplicates Z: 34 47.989 2.034 0.846 0.812 1.000 0.576 CB 1.695 34 residues pruned to eliminate duplicates Z: 34 45.097 2.018 0.797 0.774 1.000 0.606 CB 1.699 34 residues pruned to eliminate duplicates Z: 33 46.943 2.059 0.847 0.795 1.000 0.562 CB 1.685 33 residues pruned to eliminate duplicates Z: 24 44.903 2.216 0.864 0.757 1.000 0.739 CA 1.803 24 residues pruned to eliminate duplicates Z: 34 42.990 2.017 0.876 0.756 0.939 0.576 CA 1.676 34 residues pruned to eliminate duplicates Z: 32 49.438 2.105 0.857 0.814 1.000 0.710 CB 1.728 32 residues pruned to eliminate duplicates Z: 34 47.170 2.036 0.900 0.803 0.970 0.667 CB 1.680 34 residues pruned to eliminate duplicates Z: 34 47.070 2.041 0.845 0.794 1.000 0.606 CB 1.681 34 residues pruned to eliminate duplicates Z: 31 46.379 2.088 0.760 0.879 1.000 0.567 CB 1.671 31 residues pruned to eliminate duplicates Z: 22 43.725 2.252 0.960 0.779 0.952 0.619 CA 1.775 22 residues pruned to eliminate duplicates Z: 33 47.522 2.078 0.891 0.784 0.969 0.656 CB 1.719 33 residues pruned to eliminate duplicates Z: 22 48.663 2.243 0.917 0.824 1.000 0.619 C 1.865 22 residues pruned to eliminate duplicates Z: 33 51.420 2.062 0.967 0.798 1.000 0.500 CA 1.727 33 residues pruned to eliminate duplicates Z: 31 49.383 2.086 0.861 0.901 1.000 0.667 CB 1.658 31 residues pruned to eliminate duplicates Z: 34 46.852 2.037 0.783 0.827 1.000 0.667 CB 1.692 34 residues pruned to eliminate duplicates Z: 33 48.603 2.073 0.806 0.836 1.000 0.688 CB 1.718 33 residues pruned to eliminate duplicates Z: 32 49.282 2.117 0.869 0.827 0.968 0.581 CB 1.742 32 residues pruned to eliminate duplicates Z: 32 49.693 2.121 0.822 0.823 1.000 0.645 CB 1.746 32 residues pruned to eliminate duplicates Z: 32 47.334 2.101 0.796 0.830 0.968 0.677 CB 1.751 32 residues pruned to eliminate duplicates Z: 34 48.826 2.034 0.908 0.812 1.000 0.667 CB 1.669 34 residues pruned to eliminate duplicates Z: 33 46.017 2.063 0.785 0.809 1.000 0.562 CB 1.688 33 residues pruned to eliminate duplicates Z: 32 48.963 2.111 0.835 0.830 0.968 0.677 CB 1.763 32 residues pruned to eliminate duplicates Z: 17 12.622 1.598 0.540 0.651 0.938 0.438 CB 1.188 17 residues pruned to eliminate duplicates Z: 34 43.249 2.027 0.722 0.826 0.970 0.667 CB 1.678 34 residues pruned to eliminate duplicates Z: 34 45.353 2.026 0.869 0.805 0.970 0.697 CB 1.648 34 residues pruned to eliminate duplicates Z: 30 38.708 2.267 0.556 0.708 0.931 0.759 CB 1.812 30 residues pruned to eliminate duplicates Z: 44 49.348 2.264 0.616 0.655 0.977 0.791 CB 1.823 44 residues pruned to eliminate duplicates Z: 29 38.075 2.320 0.512 0.703 0.893 0.714 CB 1.909 29 residues pruned to eliminate duplicates Z: 27 42.688 2.359 0.589 0.734 0.923 0.654 C 1.960 27 residues pruned to eliminate duplicates Z: 50 41.318 2.150 0.525 0.633 0.939 0.714 CB 1.693 50 residues pruned to eliminate duplicates Z: 44 41.234 2.246 0.399 0.658 0.953 0.744 C 1.812 44 residues pruned to eliminate duplicates Z: 45 38.388 2.195 0.426 0.590 0.932 0.705 C 1.820 45 residues pruned to eliminate duplicates Z: 34 35.830 2.239 0.533 0.633 0.909 0.606 CB 1.764 34 residues pruned to eliminate duplicates Z: 44 46.058 2.256 0.592 0.636 0.930 0.674 CB 1.851 44 residues pruned to eliminate duplicates Z: 67 54.374 2.247 0.550 0.607 0.955 0.682 CB 1.820 67 residues pruned to eliminate duplicates Z: 30 41.379 2.351 0.600 0.649 0.931 0.724 CB 1.910 30 residues pruned to eliminate duplicates Z: 19 36.489 2.424 0.336 0.889 1.000 0.833 CB 1.912 19 residues pruned to eliminate duplicates Z: 32 38.300 2.263 0.566 0.624 0.935 0.613 C 1.846 32 residues pruned to eliminate duplicates Z: 43 51.906 2.336 0.631 0.660 0.952 0.714 CB 1.903 43 residues pruned to eliminate duplicates Z: 35 34.253 2.188 0.466 0.588 0.912 0.588 C 1.847 35 residues pruned to eliminate duplicates Z: 29 41.925 2.301 0.682 0.707 0.893 0.714 CB 1.899 29 residues pruned to eliminate duplicates Z: 44 45.077 2.217 0.589 0.638 0.953 0.744 CB 1.799 44 residues pruned to eliminate duplicates Z: 44 51.719 2.269 0.688 0.668 0.953 0.767 C 1.850 44 residues pruned to eliminate duplicates Z: 31 37.852 2.210 0.647 0.648 0.900 0.600 CB 1.838 31 residues pruned to eliminate duplicates Z: 42 51.769 2.341 0.607 0.691 0.951 0.780 CB 1.898 42 residues pruned to eliminate duplicates Z: 27 40.962 2.327 0.709 0.708 0.885 0.654 C 1.891 27 residues pruned to eliminate duplicates Z: 29 40.114 2.309 0.576 0.714 0.893 0.643 C 1.922 28 residues pruned to eliminate duplicates Z: 19 40.026 2.427 0.609 0.858 1.000 0.944 CB 1.779 19 residues pruned to eliminate duplicates Z: 38 37.107 2.120 0.575 0.634 0.973 0.568 CB 1.657 31 residues pruned to eliminate duplicates Z: 19 43.848 2.456 0.569 0.868 1.000 0.778 CB 1.961 19 residues pruned to eliminate duplicates Z: 43 50.465 2.284 0.663 0.680 0.929 0.690 C 1.870 43 residues pruned to eliminate duplicates Z: 45 47.426 2.208 0.672 0.651 0.909 0.750 CB 1.852 45 residues pruned to eliminate duplicates Z: 72 44.839 2.090 0.623 0.612 0.887 0.718 CB 1.591 72 residues pruned to eliminate duplicates Z: 47 33.988 1.952 0.785 0.578 0.913 0.717 CB 1.461 47 residues pruned to eliminate duplicates Z: 17 22.791 2.067 0.703 0.606 0.875 0.625 C 1.671 17 residues pruned to eliminate duplicates Z: 16 23.395 2.165 0.501 0.665 0.933 0.800 CA 1.709 16 residues pruned to eliminate duplicates Z: 43 51.636 2.269 0.756 0.688 0.929 0.690 CB 1.813 43 residues pruned to eliminate duplicates Z: 72 57.551 2.148 0.765 0.639 0.958 0.761 CB 1.652 80 residues pruned to eliminate duplicates Z: 10 19.084 2.047 0.614 0.707 1.000 0.778 CA 1.595 10 residues pruned to eliminate duplicates Z: 43 54.066 2.303 0.682 0.680 0.976 0.714 CB 1.870 43 residues pruned to eliminate duplicates Z: 15 31.828 2.171 0.926 0.703 0.929 0.857 CA 1.821 15 residues pruned to eliminate duplicates Z: 42 53.481 2.309 0.668 0.693 0.976 0.854 CB 1.863 42 residues pruned to eliminate duplicates Z: 30 23.573 1.913 0.681 0.506 0.931 0.724 CB 1.453 30 residues pruned to eliminate duplicates Z: 21 23.305 1.935 0.780 0.571 0.900 0.550 C 1.570 21 residues pruned to eliminate duplicates Z: 14 36.398 2.332 0.770 0.797 1.000 0.923 CA 1.885 14 residues pruned to eliminate duplicates Z: 42 27.572 1.962 0.553 0.601 0.927 0.683 CB 1.386 42 residues pruned to eliminate duplicates Z: 45 30.901 1.991 0.695 0.581 0.955 0.659 CB 1.338 45 residues pruned to eliminate duplicates Z: 45 26.617 1.956 0.594 0.599 0.909 0.614 CB 1.289 45 residues pruned to eliminate duplicates Z: 45 31.675 2.014 0.630 0.603 0.955 0.705 CB 1.382 45 residues pruned to eliminate duplicates Z: 18 9.868 1.716 0.540 0.488 0.882 0.706 CB 1.039 18 residues pruned to eliminate duplicates Z: 73 51.653 2.176 0.590 0.632 0.986 0.694 CB 1.576 73 residues pruned to eliminate duplicates Z: 45 31.068 1.989 0.671 0.604 1.000 0.727 CB 1.277 45 residues pruned to eliminate duplicates Z: 45 34.012 2.017 0.768 0.579 0.955 0.773 CB 1.396 46 residues pruned to eliminate duplicates Z: 6 4.676 1.623 0.894 0.284 0.800 0.400 CA 1.084 6 residues pruned to eliminate duplicates Z: 34 29.149 1.932 0.810 0.595 1.000 0.697 CB 1.325 34 residues pruned to eliminate duplicates Z: 32 23.299 1.894 0.704 0.628 0.935 0.677 CB 1.228 32 residues pruned to eliminate duplicates Z: 33 24.906 1.918 0.604 0.592 1.000 0.688 CB 1.310 33 residues pruned to eliminate duplicates Z: 33 24.582 1.881 0.817 0.574 1.000 0.719 CB 1.184 33 residues pruned to eliminate duplicates Z: 71 51.568 2.177 0.661 0.628 0.986 0.786 CB 1.532 71 residues pruned to eliminate duplicates Z: 35 25.989 1.897 0.785 0.602 0.941 0.676 CB 1.268 35 residues pruned to eliminate duplicates Z: 32 26.442 1.927 0.818 0.595 0.968 0.677 CB 1.279 32 residues pruned to eliminate duplicates Z: 34 25.078 1.948 0.651 0.608 0.970 0.758 CB 1.263 34 residues pruned to eliminate duplicates Z: 74 51.099 2.115 0.700 0.627 0.945 0.822 CB 1.561 74 residues pruned to eliminate duplicates Z: 45 37.242 2.022 0.747 0.640 1.000 0.795 CB 1.394 45 residues pruned to eliminate duplicates Z: 33 25.064 1.919 0.640 0.592 1.000 0.719 CB 1.290 33 residues pruned to eliminate duplicates Z: 34 26.441 1.905 0.842 0.595 1.000 0.667 CB 1.198 34 residues pruned to eliminate duplicates Z: 14 25.484 1.869 0.733 0.921 1.000 1.000 CB 1.536 14 residues pruned to eliminate duplicates Z: 34 29.139 1.936 0.956 0.577 0.970 0.606 CB 1.283 34 residues pruned to eliminate duplicates Z: 13 25.555 1.921 0.720 0.897 1.000 0.750 CB 1.598 13 residues pruned to eliminate duplicates Z: 34 29.720 1.922 1.015 0.592 0.939 0.758 CB 1.302 34 residues pruned to eliminate duplicates Z: 14 24.755 1.795 0.911 0.882 1.000 0.692 CB 1.449 13 residues pruned to eliminate duplicates Z: 15 25.153 1.745 1.020 0.876 1.000 0.357 CB 1.387 15 residues pruned to eliminate duplicates Z: 14 30.016 1.854 1.085 0.898 1.000 0.923 CB 1.540 14 residues pruned to eliminate duplicates Z: 6 5.748 1.637 0.648 0.456 1.000 0.400 CA 0.996 6 residues pruned to eliminate duplicates Z: 25 21.915 2.032 0.792 0.444 0.917 0.667 CB 1.419 25 residues pruned to eliminate duplicates Z: 6 5.402 1.920 0.370 0.439 0.800 0.600 CA 1.222 6 residues pruned to eliminate duplicates Z: 26 20.841 1.985 0.684 0.456 0.920 0.680 CB 1.419 26 residues pruned to eliminate duplicates Z: 25 18.831 2.059 0.571 0.453 0.875 0.750 CB 1.425 25 residues pruned to eliminate duplicates Z: 26 16.176 1.948 0.467 0.378 0.920 0.520 CB 1.401 26 residues pruned to eliminate duplicates Z: 25 21.068 2.046 0.670 0.424 0.958 0.625 CB 1.422 24 residues pruned to eliminate duplicates Z: 8 7.512 1.738 0.349 0.767 1.000 0.571 CA 0.956 8 residues pruned to eliminate duplicates Z: 26 19.001 1.994 0.582 0.462 0.880 0.720 CB 1.422 26 residues pruned to eliminate duplicates Z: 25 20.032 1.999 0.568 0.464 0.917 0.708 CB 1.477 25 residues pruned to eliminate duplicates Z: 19 12.413 1.823 0.657 0.391 0.833 0.667 CB 1.304 15 residues pruned to eliminate duplicates Z: 8 10.194 1.896 0.330 0.536 1.000 0.714 CA 1.475 8 residues pruned to eliminate duplicates Z: 14 15.818 1.920 0.478 0.501 1.000 0.692 CB 1.544 19 residues pruned to eliminate duplicates Z: 7 3.684 1.189 0.371 0.496 1.000 0.833 CB 0.926 7 residues pruned to eliminate duplicates Z: 25 20.699 2.019 0.621 0.506 0.875 0.750 CB 1.468 25 residues pruned to eliminate duplicates Z: 24 21.717 2.054 0.507 0.465 1.000 0.652 CB 1.516 24 residues pruned to eliminate duplicates Z: 27 17.640 1.904 0.603 0.453 0.885 0.654 CB 1.345 25 residues pruned to eliminate duplicates Z: 7 4.744 1.803 0.269 0.397 0.667 0.167 CA 1.415 7 residues pruned to eliminate duplicates Z: 11 11.558 1.950 0.401 0.420 1.000 0.700 CB 1.454 11 residues pruned to eliminate duplicates Z: 9 12.041 1.981 0.585 0.398 1.000 0.750 CB 1.509 9 residues pruned to eliminate duplicates Z: 11 8.027 1.903 0.316 0.380 0.800 0.500 CB 1.439 11 residues pruned to eliminate duplicates Z: 28 25.608 1.943 0.754 0.619 0.889 0.407 CB 1.454 28 residues pruned to eliminate duplicates Z: 118 76.614 2.295 0.587 0.723 0.923 0.812 CB 1.721 93 residues pruned to eliminate duplicates Z: 24 49.652 2.302 0.852 0.890 0.957 0.870 CB 1.827 24 residues pruned to eliminate duplicates Z: 103 74.602 2.309 0.578 0.740 0.951 0.784 CB 1.719 103 residues pruned to eliminate duplicates Z: 110 82.025 2.318 0.616 0.735 0.972 0.761 CB 1.746 110 residues pruned to eliminate duplicates Z: 94 82.370 2.326 0.690 0.773 0.968 0.828 CB 1.764 94 residues pruned to eliminate duplicates Z: 94 75.410 2.320 0.592 0.766 0.957 0.763 CB 1.748 94 residues pruned to eliminate duplicates Z: 94 76.689 2.320 0.606 0.764 0.957 0.785 CB 1.765 94 residues pruned to eliminate duplicates Z: 109 83.224 2.337 0.631 0.743 0.954 0.759 CB 1.772 109 residues pruned to eliminate duplicates Z: 94 81.166 2.327 0.693 0.773 0.957 0.828 CB 1.753 94 residues pruned to eliminate duplicates Z: 107 88.958 2.344 0.717 0.758 0.953 0.726 CB 1.790 107 residues pruned to eliminate duplicates Z: 92 73.156 2.324 0.582 0.783 0.945 0.769 CB 1.720 92 residues pruned to eliminate duplicates Z: 99 78.246 2.310 0.664 0.767 0.929 0.776 CB 1.748 99 residues pruned to eliminate duplicates Z: 63 63.796 2.253 0.667 0.811 0.935 0.790 CB 1.759 63 residues pruned to eliminate duplicates Z: 24 55.454 2.331 1.057 0.883 0.957 0.870 CB 1.823 24 residues pruned to eliminate duplicates Z: 95 79.967 2.305 0.676 0.764 0.957 0.830 CB 1.764 95 residues pruned to eliminate duplicates Z: 95 78.683 2.303 0.644 0.762 0.968 0.787 CB 1.755 95 residues pruned to eliminate duplicates Z: 101 79.997 2.326 0.651 0.748 0.960 0.790 CB 1.739 101 residues pruned to eliminate duplicates Z: 93 82.657 2.333 0.674 0.786 0.957 0.772 CB 1.794 93 residues pruned to eliminate duplicates Z: 109 78.134 2.320 0.631 0.736 0.935 0.713 CB 1.719 109 residues pruned to eliminate duplicates Z: 67 73.342 2.303 0.703 0.806 0.985 0.758 CB 1.788 67 residues pruned to eliminate duplicates Z: 93 85.632 2.319 0.752 0.779 0.967 0.783 CB 1.776 93 residues pruned to eliminate duplicates Z: 26 52.815 2.208 1.296 0.805 0.920 0.720 CB 1.736 26 residues pruned to eliminate duplicates Z: 94 81.272 2.323 0.711 0.777 0.957 0.774 CB 1.735 94 residues pruned to eliminate duplicates Z: 64 72.145 2.284 0.750 0.818 0.952 0.810 CB 1.812 64 residues pruned to eliminate duplicates Z: 109 82.401 2.334 0.670 0.746 0.935 0.750 CB 1.745 109 residues pruned to eliminate duplicates Z: 75 64.391 2.277 0.613 0.728 0.946 0.770 CB 1.754 75 residues pruned to eliminate duplicates Z: 100 83.485 2.339 0.716 0.750 0.939 0.758 CB 1.780 100 residues pruned to eliminate duplicates Z: 75 78.621 2.285 0.795 0.778 0.973 0.770 CB 1.792 75 residues pruned to eliminate duplicates Z: 99 76.924 2.317 0.638 0.764 0.929 0.786 CB 1.743 99 residues pruned to eliminate duplicates Z: 86 65.743 2.310 0.589 0.721 0.929 0.647 CB 1.711 86 residues pruned to eliminate duplicates Z: 73 60.729 2.284 0.555 0.732 0.958 0.764 CB 1.707 73 residues pruned to eliminate duplicates Z: 93 79.786 2.316 0.631 0.789 0.957 0.783 CB 1.787 93 residues pruned to eliminate duplicates Z: 76 69.179 2.324 0.645 0.748 0.960 0.760 CB 1.744 76 residues pruned to eliminate duplicates Z: 150 100.068 2.322 0.739 0.721 0.933 0.664 CB 1.782 150 residues pruned to eliminate duplicates Z: 101 84.206 2.313 0.727 0.761 0.950 0.760 CB 1.760 101 residues pruned to eliminate duplicates Z: 75 79.579 2.261 0.850 0.767 0.959 0.757 CB 1.819 75 residues pruned to eliminate duplicates Z: 79 81.606 2.314 0.884 0.751 0.949 0.731 CB 1.786 79 residues pruned to eliminate duplicates Z: 100 88.212 2.320 0.838 0.759 0.939 0.727 CB 1.758 100 residues pruned to eliminate duplicates Z: 108 90.575 2.331 0.777 0.759 0.935 0.682 CB 1.797 108 residues pruned to eliminate duplicates Z: 76 70.068 2.317 0.665 0.746 0.947 0.760 CB 1.778 76 residues pruned to eliminate duplicates Z: 101 88.624 2.329 0.830 0.754 0.940 0.770 CB 1.764 101 residues pruned to eliminate duplicates Z: 70 69.194 2.312 0.614 0.766 0.971 0.841 CB 1.816 70 residues pruned to eliminate duplicates Z: 94 90.605 2.335 0.847 0.783 0.957 0.763 CB 1.774 94 residues pruned to eliminate duplicates Z: 95 82.162 2.301 0.736 0.771 0.947 0.766 CB 1.763 95 residues pruned to eliminate duplicates Z: 95 89.734 2.340 0.813 0.781 0.947 0.777 CB 1.799 95 residues pruned to eliminate duplicates Z: 94 86.570 2.321 0.753 0.779 0.968 0.753 CB 1.783 94 residues pruned to eliminate duplicates Z: 92 91.785 2.340 0.826 0.790 0.956 0.791 CB 1.825 92 residues pruned to eliminate duplicates Z: 101 90.625 2.317 0.885 0.749 0.930 0.740 CB 1.787 101 residues pruned to eliminate duplicates Z: 90 98.438 2.361 0.897 0.812 0.966 0.775 CB 1.837 90 residues pruned to eliminate duplicates Z: 100 88.223 2.316 0.796 0.762 0.949 0.747 CB 1.779 100 residues pruned to eliminate duplicates Z: 101 93.379 2.335 0.874 0.754 0.950 0.790 CB 1.791 101 residues pruned to eliminate duplicates Z: 88 71.687 2.364 0.703 0.672 0.920 0.632 CB 1.772 88 residues pruned to eliminate duplicates Z: 100 88.052 2.316 0.871 0.752 0.949 0.758 CB 1.718 100 residues pruned to eliminate duplicates Z: 95 83.604 2.298 0.769 0.768 0.947 0.798 CB 1.767 95 residues pruned to eliminate duplicates Z: 110 90.252 2.306 0.837 0.737 0.927 0.725 CB 1.781 110 residues pruned to eliminate duplicates Z: 108 95.950 2.351 0.865 0.757 0.944 0.710 CB 1.783 108 residues pruned to eliminate duplicates Z: 69 72.966 2.329 0.712 0.769 0.985 0.779 CB 1.775 69 residues pruned to eliminate duplicates Z: 93 96.522 2.340 0.906 0.793 0.967 0.772 CB 1.804 93 residues pruned to eliminate duplicates Z: 125 95.741 2.330 0.804 0.731 0.960 0.726 CB 1.732 125 residues pruned to eliminate duplicates Z: 96 90.602 2.343 0.851 0.776 0.958 0.811 CB 1.753 96 residues pruned to eliminate duplicates Z: 94 92.090 2.332 0.908 0.770 0.957 0.731 CB 1.766 94 residues pruned to eliminate duplicates Z: 92 100.128 2.358 0.966 0.789 0.978 0.791 CB 1.796 92 residues pruned to eliminate duplicates Z: 108 98.437 2.345 0.840 0.772 0.963 0.692 CB 1.801 108 residues pruned to eliminate duplicates Z: 94 88.092 2.307 0.794 0.777 0.968 0.839 CB 1.786 94 residues pruned to eliminate duplicates Z: 109 99.686 2.346 0.905 0.758 0.972 0.722 CB 1.755 109 residues pruned to eliminate duplicates Z: 88 94.469 2.345 0.905 0.795 0.966 0.782 CB 1.814 88 residues pruned to eliminate duplicates Z: 69 77.346 2.346 0.761 0.776 0.985 0.809 CB 1.806 69 residues pruned to eliminate duplicates Z: 71 73.731 2.345 0.728 0.767 0.957 0.743 CB 1.793 71 residues pruned to eliminate duplicates Z: 42 46.736 2.390 0.670 0.654 0.927 0.634 CB 1.710 42 residues pruned to eliminate duplicates Z: 26 41.444 2.454 0.732 0.687 0.920 0.680 CB 1.786 26 residues pruned to eliminate duplicates Z: 93 90.021 2.343 0.826 0.778 0.967 0.804 CB 1.774 93 residues pruned to eliminate duplicates Z: 94 94.388 2.333 0.921 0.774 0.968 0.710 CB 1.772 94 residues pruned to eliminate duplicates Z: 93 91.171 2.330 0.849 0.786 0.957 0.826 CB 1.793 93 residues pruned to eliminate duplicates Z: 72 72.365 2.352 0.728 0.741 0.958 0.732 CB 1.778 72 residues pruned to eliminate duplicates Z: 100 93.644 2.322 0.958 0.751 0.960 0.677 CB 1.725 100 residues pruned to eliminate duplicates Z: 78 86.398 2.326 0.971 0.750 0.974 0.753 CB 1.765 78 residues pruned to eliminate duplicates Z: 92 96.774 2.357 0.936 0.780 0.956 0.758 CB 1.816 92 residues pruned to eliminate duplicates Z: 109 87.405 2.322 0.810 0.754 0.944 0.704 CB 1.690 109 residues pruned to eliminate duplicates Z: 77 68.671 2.309 0.763 0.727 0.908 0.684 CB 1.738 77 residues pruned to eliminate duplicates Z: 93 97.139 2.342 0.949 0.782 0.957 0.728 CB 1.809 93 residues pruned to eliminate duplicates Z: 93 92.154 2.338 0.855 0.777 0.978 0.717 CB 1.773 93 residues pruned to eliminate duplicates Z: 26 45.795 2.469 0.712 0.733 0.960 0.840 CB 1.832 26 residues pruned to eliminate duplicates Z: 94 96.851 2.318 0.989 0.777 0.946 0.785 CB 1.804 94 residues pruned to eliminate duplicates Z: 94 92.096 2.328 0.951 0.775 0.935 0.763 CB 1.763 94 residues pruned to eliminate duplicates Z: 29 31.765 2.205 0.658 0.645 0.857 0.679 CB 1.673 29 residues pruned to eliminate duplicates Z: 69 80.335 2.333 0.891 0.744 0.985 0.706 CB 1.802 69 residues pruned to eliminate duplicates Z: 92 99.461 2.349 0.950 0.786 0.978 0.670 CB 1.810 92 residues pruned to eliminate duplicates Z: 95 97.487 2.351 0.933 0.781 0.957 0.723 CB 1.804 95 residues pruned to eliminate duplicates Z: 95 92.755 2.323 0.898 0.772 0.968 0.702 CB 1.762 95 residues pruned to eliminate duplicates Z: 109 98.201 2.343 0.945 0.749 0.944 0.648 CB 1.758 109 residues pruned to eliminate duplicates Z: 100 91.935 2.325 0.899 0.761 0.929 0.677 CB 1.786 100 residues pruned to eliminate duplicates Z: 75 78.777 2.359 0.858 0.747 0.946 0.730 CB 1.771 75 residues pruned to eliminate duplicates Z: 85 76.671 2.328 0.773 0.727 0.940 0.738 CB 1.756 85 residues pruned to eliminate duplicates Z: 42 46.184 2.377 0.732 0.639 0.902 0.537 CB 1.705 42 residues pruned to eliminate duplicates Z: 35 41.711 2.375 0.846 0.661 0.882 0.647 CB 1.592 35 residues pruned to eliminate duplicates Z: 9 8.244 2.060 0.481 0.445 0.750 0.500 CB 1.348 9 residues pruned to eliminate duplicates Z: 130 93.753 2.349 0.782 0.681 0.922 0.651 CB 1.810 130 residues pruned to eliminate duplicates Z: 17 20.794 2.116 0.578 0.519 1.000 0.312 CB 1.529 17 residues pruned to eliminate duplicates Z: 16 18.605 2.258 0.528 0.506 0.867 0.400 CA 1.597 16 residues pruned to eliminate duplicates Z: 55 56.898 2.378 0.694 0.608 0.944 0.667 CB 1.837 55 residues pruned to eliminate duplicates Z: 14 19.726 2.153 0.772 0.471 0.923 0.462 CB 1.599 14 residues pruned to eliminate duplicates Z: 11 20.082 2.212 0.645 0.615 0.900 0.500 C 1.739 11 residues pruned to eliminate duplicates Z: 11 17.459 2.201 0.716 0.527 0.900 0.500 C 1.581 11 residues pruned to eliminate duplicates Z: 11 17.030 2.341 0.407 0.525 0.900 0.600 CA 1.772 11 residues pruned to eliminate duplicates Z: 14 15.985 2.088 0.518 0.523 0.923 0.538 CB 1.481 14 residues pruned to eliminate duplicates Z: 17 14.762 1.943 0.397 0.462 1.000 0.500 CB 1.412 17 residues pruned to eliminate duplicates Z: 16 22.356 2.360 0.555 0.541 0.800 0.467 C 1.889 16 residues pruned to eliminate duplicates Z: 61 49.052 2.277 0.687 0.531 0.933 0.583 CB 1.713 61 residues pruned to eliminate duplicates Z: 44 62.746 2.447 0.796 0.649 0.977 0.698 CB 1.939 44 residues pruned to eliminate duplicates Z: 19 26.633 2.313 0.482 0.487 1.000 0.611 C 1.855 19 residues pruned to eliminate duplicates Z: 25 26.374 2.370 0.416 0.514 0.917 0.625 CB 1.726 25 residues pruned to eliminate duplicates Z: 47 52.076 2.320 0.776 0.602 0.935 0.674 CB 1.809 47 residues pruned to eliminate duplicates Z: 22 25.372 2.261 0.587 0.552 0.905 0.762 CB 1.622 22 residues pruned to eliminate duplicates Z: 22 24.430 2.300 0.379 0.560 0.857 0.619 CB 1.850 22 residues pruned to eliminate duplicates Z: 45 52.739 2.356 0.760 0.605 0.977 0.682 CB 1.776 45 residues pruned to eliminate duplicates Z: 58 56.052 2.397 0.645 0.623 0.930 0.719 CB 1.804 58 residues pruned to eliminate duplicates Z: 47 52.391 2.311 0.738 0.607 0.957 0.630 CB 1.815 47 residues pruned to eliminate duplicates Z: 21 24.723 2.163 0.568 0.586 0.850 0.600 CA 1.766 21 residues pruned to eliminate duplicates Z: 60 56.135 2.322 0.720 0.576 0.966 0.695 CB 1.760 60 residues pruned to eliminate duplicates Z: 38 31.677 2.116 0.783 0.537 0.865 0.568 CB 1.539 38 residues pruned to eliminate duplicates Z: 46 54.612 2.344 0.750 0.640 0.956 0.711 CB 1.821 46 residues pruned to eliminate duplicates Z: 34 60.872 2.403 0.991 0.667 1.000 0.667 CB 1.898 34 residues pruned to eliminate duplicates Z: 37 49.881 2.229 1.005 0.614 0.944 0.528 CB 1.769 37 residues pruned to eliminate duplicates Z: 45 63.916 2.413 0.881 0.642 1.000 0.682 CB 1.860 45 residues pruned to eliminate duplicates Z: 56 56.022 2.324 0.742 0.582 0.964 0.636 CB 1.790 56 residues pruned to eliminate duplicates Z: 36 58.072 2.352 0.995 0.651 0.971 0.714 CB 1.871 36 residues pruned to eliminate duplicates Z: 54 55.150 2.271 0.834 0.591 0.906 0.642 CB 1.841 54 residues pruned to eliminate duplicates Z: 60 59.980 2.379 0.791 0.592 0.915 0.644 CB 1.833 60 residues pruned to eliminate duplicates Z: 45 63.198 2.421 0.905 0.628 0.955 0.773 CB 1.919 45 residues pruned to eliminate duplicates Z: 46 60.768 2.383 0.952 0.640 0.933 0.644 CB 1.830 46 residues pruned to eliminate duplicates Z: 47 58.836 2.346 0.888 0.617 0.957 0.652 CB 1.833 47 residues pruned to eliminate duplicates Z: 46 42.968 2.233 0.794 0.542 0.911 0.600 CB 1.683 46 residues pruned to eliminate duplicates Z: 35 60.349 2.374 1.019 0.664 0.971 0.647 CB 1.912 35 residues pruned to eliminate duplicates Z: 51 65.833 2.398 0.849 0.641 0.960 0.680 CB 1.918 51 residues pruned to eliminate duplicates Z: 54 62.448 2.390 0.834 0.609 0.962 0.642 CB 1.833 54 residues pruned to eliminate duplicates Z: 45 67.827 2.412 1.003 0.655 1.000 0.682 CB 1.832 45 residues pruned to eliminate duplicates Z: 55 62.484 2.370 0.823 0.633 0.963 0.667 CB 1.805 55 residues pruned to eliminate duplicates Z: 48 60.659 2.323 0.877 0.628 0.979 0.723 CB 1.838 48 residues pruned to eliminate duplicates Z: 54 66.656 2.427 0.889 0.624 0.962 0.642 CB 1.846 54 residues pruned to eliminate duplicates Z: 60 54.640 2.306 0.813 0.572 0.898 0.678 CB 1.767 60 residues pruned to eliminate duplicates Z: 34 62.097 2.406 1.057 0.636 1.000 0.636 CB 1.923 34 residues pruned to eliminate duplicates Z: 55 64.742 2.400 0.958 0.613 0.907 0.685 CB 1.856 55 residues pruned to eliminate duplicates Z: 47 58.790 2.342 0.902 0.632 0.978 0.717 CB 1.758 47 residues pruned to eliminate duplicates Z: 46 60.592 2.390 0.942 0.627 0.933 0.711 CB 1.850 46 residues pruned to eliminate duplicates Z: 46 62.140 2.376 0.904 0.636 1.000 0.667 CB 1.803 46 residues pruned to eliminate duplicates Z: 62 64.242 2.344 0.947 0.580 0.934 0.689 CB 1.785 62 residues pruned to eliminate duplicates Z: 46 61.032 2.404 1.042 0.608 0.911 0.622 CB 1.836 46 residues pruned to eliminate duplicates Z: 46 62.464 2.306 0.994 0.645 0.978 0.622 CB 1.809 46 residues pruned to eliminate duplicates Z: 44 64.546 2.357 1.016 0.660 0.977 0.698 CB 1.827 44 residues pruned to eliminate duplicates Z: 53 58.739 2.322 0.925 0.591 0.962 0.654 CB 1.736 53 residues pruned to eliminate duplicates Z: 12 11.765 2.054 0.551 0.451 0.818 0.636 CB 1.432 12 residues pruned to eliminate duplicates Z: 11 17.176 2.218 0.478 0.464 1.000 0.500 CB 1.718 11 residues pruned to eliminate duplicates Z: 15 16.055 1.958 0.468 0.393 1.000 0.429 CB 1.672 15 residues pruned to eliminate duplicates Z: 14 13.065 1.928 0.541 0.510 0.923 0.462 CB 1.308 13 residues pruned to eliminate duplicates Z: 10 12.164 2.143 0.546 0.561 0.667 0.333 CA 1.731 10 residues pruned to eliminate duplicates Z: 49 30.944 2.093 0.471 0.587 0.854 0.667 CB 1.562 49 residues pruned to eliminate duplicates Z: 25 38.479 2.255 0.620 0.846 0.875 0.750 CA 1.826 25 residues pruned to eliminate duplicates Z: 57 36.785 2.125 0.544 0.575 0.911 0.554 CB 1.530 57 residues pruned to eliminate duplicates Z: 33 36.916 2.177 0.680 0.721 0.875 0.656 CB 1.670 33 residues pruned to eliminate duplicates Z: 41 36.019 2.165 0.524 0.639 0.925 0.625 CB 1.638 41 residues pruned to eliminate duplicates Z: 31 49.810 2.261 0.758 0.748 1.000 0.700 CB 1.833 31 residues pruned to eliminate duplicates Z: 33 41.994 2.196 0.780 0.693 0.938 0.656 CB 1.698 32 residues pruned to eliminate duplicates Z: 25 42.280 2.243 0.633 0.860 0.958 0.833 CB 1.807 25 residues pruned to eliminate duplicates Z: 49 35.917 2.130 0.525 0.610 0.875 0.625 CB 1.643 49 residues pruned to eliminate duplicates Z: 40 33.668 2.113 0.564 0.645 0.846 0.692 CB 1.684 40 residues pruned to eliminate duplicates Z: 51 34.796 2.143 0.493 0.560 0.900 0.560 CB 1.612 44 residues pruned to eliminate duplicates Z: 26 45.455 2.235 0.704 0.853 0.960 0.680 C 1.837 26 residues pruned to eliminate duplicates Z: 33 41.911 2.219 0.854 0.664 0.906 0.656 CA 1.707 33 residues pruned to eliminate duplicates Z: 49 38.993 2.154 0.572 0.583 0.938 0.604 CB 1.637 51 residues pruned to eliminate duplicates Z: 26 40.701 2.219 0.789 0.857 0.840 0.720 C 1.799 26 residues pruned to eliminate duplicates Z: 52 33.797 2.077 0.570 0.567 0.863 0.569 CB 1.577 52 residues pruned to eliminate duplicates Z: 34 37.957 2.145 0.655 0.661 0.939 0.636 CB 1.706 34 residues pruned to eliminate duplicates Z: 31 38.656 2.150 0.759 0.692 0.900 0.700 CB 1.740 31 residues pruned to eliminate duplicates Z: 39 40.059 2.171 0.697 0.654 0.895 0.658 CB 1.708 39 residues pruned to eliminate duplicates Z: 38 39.878 2.219 0.645 0.672 0.919 0.649 CB 1.668 38 residues pruned to eliminate duplicates Z: 59 39.086 2.119 0.626 0.554 0.914 0.603 CB 1.548 60 residues pruned to eliminate duplicates Z: 6 3.619 1.989 0.276 0.413 0.600 0.400 CA 1.164 6 residues pruned to eliminate duplicates Z: 58 35.318 2.138 0.501 0.539 0.877 0.649 CB 1.599 57 residues pruned to eliminate duplicates Z: 6 8.802 1.797 0.657 0.496 1.000 0.400 CB 1.327 6 residues pruned to eliminate duplicates Z: 18 12.263 1.917 0.389 0.487 0.882 0.294 CB 1.283 18 residues pruned to eliminate duplicates Z: 45 41.228 2.209 0.656 0.637 0.909 0.705 CB 1.645 45 residues pruned to eliminate duplicates Z: 19 12.832 1.994 0.485 0.401 0.833 0.556 CB 1.360 19 residues pruned to eliminate duplicates Z: 9 8.278 1.850 0.282 0.716 1.000 0.750 CB 1.015 9 residues pruned to eliminate duplicates Z: 59 38.825 2.127 0.617 0.551 0.897 0.672 CB 1.574 58 residues pruned to eliminate duplicates Z: 9 6.963 1.700 0.498 0.708 1.000 0.500 CB 0.800 9 residues pruned to eliminate duplicates Z: 20 14.294 1.969 0.431 0.386 0.947 0.526 CB 1.387 20 residues pruned to eliminate duplicates Z: 20 10.889 1.901 0.333 0.367 0.842 0.474 CB 1.350 20 residues pruned to eliminate duplicates Z: 8 9.303 1.678 0.618 0.723 1.000 0.714 CB 1.059 8 residues pruned to eliminate duplicates Z: 20 14.904 1.962 0.448 0.365 1.000 0.526 CB 1.391 20 residues pruned to eliminate duplicates Z: 59 42.366 2.139 0.591 0.571 0.931 0.707 CB 1.639 60 residues pruned to eliminate duplicates Z: 12 11.196 1.724 0.550 0.634 1.000 0.636 CB 1.114 12 residues pruned to eliminate duplicates Z: 6 4.601 1.766 0.518 0.160 0.800 0.800 C 1.453 6 residues pruned to eliminate duplicates Z: 39 45.047 2.063 0.666 0.770 1.000 0.816 CB 1.674 39 residues pruned to eliminate duplicates Z: 38 48.739 2.107 0.746 0.798 1.000 0.595 CB 1.677 38 residues pruned to eliminate duplicates Z: 8 5.646 1.731 0.192 0.478 0.857 0.714 CA 1.234 8 residues pruned to eliminate duplicates Z: 38 44.586 2.111 0.606 0.781 1.000 0.676 CB 1.687 38 residues pruned to eliminate duplicates Z: 38 42.163 2.092 0.581 0.776 1.000 0.811 CB 1.643 38 residues pruned to eliminate duplicates Z: 28 39.416 2.082 0.762 0.722 0.963 0.593 CB 1.756 28 residues pruned to eliminate duplicates Z: 40 40.653 2.002 0.629 0.748 0.974 0.718 CB 1.642 40 residues pruned to eliminate duplicates Z: 36 37.673 2.051 0.668 0.692 0.971 0.800 CB 1.608 36 residues pruned to eliminate duplicates Z: 38 44.402 2.107 0.650 0.784 0.973 0.757 CB 1.681 38 residues pruned to eliminate duplicates Z: 38 46.739 2.115 0.686 0.771 1.000 0.757 CB 1.694 38 residues pruned to eliminate duplicates Z: 38 47.133 2.113 0.717 0.782 0.973 0.649 CB 1.712 38 residues pruned to eliminate duplicates Z: 36 37.968 2.061 0.737 0.685 0.943 0.629 CB 1.606 36 residues pruned to eliminate duplicates Z: 26 38.810 2.190 0.733 0.750 0.960 0.640 CB 1.704 26 residues pruned to eliminate duplicates Z: 20 40.961 2.216 0.881 0.882 0.947 0.842 CB 1.722 20 residues pruned to eliminate duplicates Z: 38 47.813 2.115 0.714 0.772 1.000 0.541 CB 1.705 38 residues pruned to eliminate duplicates Z: 38 45.363 2.104 0.721 0.781 0.946 0.649 CB 1.699 38 residues pruned to eliminate duplicates Z: 39 43.551 2.085 0.705 0.770 0.947 0.605 CB 1.652 39 residues pruned to eliminate duplicates Z: 38 46.733 2.113 0.671 0.785 1.000 0.676 CB 1.694 38 residues pruned to eliminate duplicates Z: 37 43.402 2.120 0.626 0.800 0.944 0.694 CB 1.710 37 residues pruned to eliminate duplicates Z: 38 45.951 2.107 0.724 0.779 0.973 0.649 CB 1.670 38 residues pruned to eliminate duplicates Z: 38 48.266 2.107 0.731 0.782 1.000 0.730 CB 1.697 38 residues pruned to eliminate duplicates Z: 37 46.943 2.127 0.709 0.770 1.000 0.639 CB 1.694 37 residues pruned to eliminate duplicates Z: 38 45.191 2.095 0.712 0.762 1.000 0.622 CB 1.642 38 residues pruned to eliminate duplicates Z: 39 46.196 2.084 0.686 0.782 1.000 0.737 CB 1.663 39 residues pruned to eliminate duplicates Z: 39 42.658 2.075 0.649 0.751 0.974 0.737 CB 1.660 39 residues pruned to eliminate duplicates Z: 41 39.966 1.998 0.686 0.720 0.950 0.650 CB 1.619 41 residues pruned to eliminate duplicates Z: 38 46.694 2.101 0.708 0.763 1.000 0.730 CB 1.694 38 residues pruned to eliminate duplicates Z: 38 47.523 2.110 0.772 0.760 1.000 0.676 CB 1.658 38 residues pruned to eliminate duplicates Z: 38 46.225 2.100 0.706 0.756 1.000 0.649 CB 1.688 38 residues pruned to eliminate duplicates Z: 32 43.128 2.112 0.695 0.826 0.968 0.774 CB 1.686 32 residues pruned to eliminate duplicates Z: 38 46.142 2.101 0.705 0.771 1.000 0.703 CB 1.665 38 residues pruned to eliminate duplicates Z: 38 46.237 2.103 0.729 0.769 1.000 0.730 CB 1.647 38 residues pruned to eliminate duplicates Z: 38 46.758 2.109 0.758 0.763 1.000 0.757 CB 1.642 38 residues pruned to eliminate duplicates Z: 39 42.107 2.069 0.588 0.764 1.000 0.789 CB 1.644 39 residues pruned to eliminate duplicates Z: 38 45.328 2.102 0.660 0.776 1.000 0.730 CB 1.674 38 residues pruned to eliminate duplicates Z: 38 44.510 2.095 0.722 0.764 0.973 0.676 CB 1.650 38 residues pruned to eliminate duplicates Z: 113 77.075 2.238 0.691 0.673 0.964 0.759 CB 1.701 112 residues pruned to eliminate duplicates Z: 7 3.044 1.545 0.278 0.244 0.667 0.500 CB 1.269 7 residues pruned to eliminate duplicates Z: 208 101.561 2.311 0.654 0.647 0.942 0.729 CB 1.709 208 residues pruned to eliminate duplicates Z: 45 51.152 2.308 0.715 0.651 0.932 0.659 CB 1.817 45 residues pruned to eliminate duplicates Z: 48 52.675 2.268 0.727 0.629 0.957 0.660 CB 1.814 48 residues pruned to eliminate duplicates Z: 47 51.321 2.301 0.628 0.649 0.957 0.739 CB 1.839 47 residues pruned to eliminate duplicates Z: 82 70.698 2.253 0.699 0.711 0.963 0.667 CB 1.760 82 residues pruned to eliminate duplicates Z: 6 7.988 1.572 1.126 0.345 1.000 0.800 CA 1.264 6 residues pruned to eliminate duplicates Z: 44 58.578 2.377 0.795 0.663 0.977 0.744 CB 1.844 44 residues pruned to eliminate duplicates Z: 44 58.524 2.372 0.772 0.641 0.977 0.814 CB 1.906 44 residues pruned to eliminate duplicates Z: 44 60.875 2.389 0.779 0.670 0.977 0.674 CB 1.911 44 residues pruned to eliminate duplicates Z: 74 69.404 2.304 0.821 0.637 0.959 0.671 CB 1.776 74 residues pruned to eliminate duplicates Z: 44 57.857 2.375 0.751 0.682 0.953 0.674 CB 1.882 44 residues pruned to eliminate duplicates Z: 45 58.003 2.371 0.732 0.662 0.955 0.727 CB 1.919 45 residues pruned to eliminate duplicates Z: 42 56.383 2.397 0.793 0.680 0.927 0.732 CB 1.873 42 residues pruned to eliminate duplicates Z: 43 58.297 2.423 0.707 0.683 0.952 0.643 CB 1.931 43 residues pruned to eliminate duplicates Z: 76 70.068 2.300 0.806 0.635 0.973 0.653 CB 1.763 76 residues pruned to eliminate duplicates Z: 44 57.191 2.375 0.761 0.657 0.953 0.767 CB 1.890 44 residues pruned to eliminate duplicates Z: 67 60.134 2.221 0.655 0.722 0.955 0.758 CB 1.728 67 residues pruned to eliminate duplicates Z: 44 53.653 2.359 0.624 0.661 0.977 0.698 CB 1.883 44 residues pruned to eliminate duplicates Z: 48 54.314 2.328 0.775 0.621 0.936 0.681 CB 1.827 48 residues pruned to eliminate duplicates Z: 82 72.416 2.260 0.715 0.705 0.975 0.728 CB 1.767 82 residues pruned to eliminate duplicates Z: 9 20.304 2.085 0.509 0.912 1.000 0.875 C 1.617 9 residues pruned to eliminate duplicates Z: 43 59.842 2.401 0.816 0.667 0.976 0.738 CB 1.858 43 residues pruned to eliminate duplicates Z: 43 55.654 2.391 0.736 0.685 0.929 0.738 CB 1.881 43 residues pruned to eliminate duplicates Z: 44 54.271 2.382 0.680 0.671 0.953 0.721 CB 1.853 44 residues pruned to eliminate duplicates Z: 45 54.016 2.345 0.745 0.657 0.932 0.727 CB 1.845 45 residues pruned to eliminate duplicates Z: 82 75.323 2.258 0.755 0.708 0.975 0.630 CB 1.793 82 residues pruned to eliminate duplicates Z: 46 56.196 2.313 0.773 0.648 0.956 0.689 CB 1.862 46 residues pruned to eliminate duplicates Z: 44 59.462 2.378 0.769 0.664 0.977 0.674 CB 1.896 44 residues pruned to eliminate duplicates Z: 43 59.828 2.412 0.750 0.684 0.976 0.786 CB 1.892 43 residues pruned to eliminate duplicates Z: 43 56.325 2.351 0.758 0.670 0.952 0.643 C 1.887 43 residues pruned to eliminate duplicates Z: 44 60.435 2.373 0.844 0.664 0.953 0.674 CB 1.897 44 residues pruned to eliminate duplicates Z: 82 73.840 2.258 0.779 0.715 0.951 0.716 CB 1.767 82 residues pruned to eliminate duplicates Z: 12 26.899 2.282 0.915 0.616 1.000 0.727 CA 1.664 12 residues pruned to eliminate duplicates Z: 44 54.881 2.375 0.705 0.678 0.953 0.767 CB 1.840 44 residues pruned to eliminate duplicates Z: 43 60.338 2.381 0.895 0.668 0.929 0.667 CB 1.902 43 residues pruned to eliminate duplicates Z: 43 60.008 2.416 0.761 0.678 0.952 0.762 C 1.939 43 residues pruned to eliminate duplicates Z: 173 106.204 2.247 0.921 0.659 0.948 0.698 CB 1.708 141 residues pruned to eliminate duplicates Z: 8 28.210 2.369 0.946 0.885 1.000 1.000 CB 1.670 8 residues pruned to eliminate duplicates Z: 187 98.700 2.294 0.723 0.632 0.941 0.774 CB 1.719 187 residues pruned to eliminate duplicates Z: 104 70.092 2.255 0.733 0.570 0.971 0.670 CB 1.702 104 residues pruned to eliminate duplicates Z: 16 17.616 2.046 0.788 0.499 0.933 0.600 CB 1.334 16 residues pruned to eliminate duplicates Z: 61 46.298 2.187 0.871 0.515 0.917 0.550 CB 1.569 61 residues pruned to eliminate duplicates Z: 38 33.206 2.084 0.962 0.579 0.892 0.541 CB 1.387 38 residues pruned to eliminate duplicates Z: 74 53.635 2.222 0.821 0.539 0.959 0.644 CB 1.557 74 residues pruned to eliminate duplicates Z: 13 9.350 1.932 0.219 0.451 0.917 0.583 CB 1.315 13 residues pruned to eliminate duplicates Z: 105 64.433 2.249 0.722 0.551 0.942 0.712 CB 1.648 105 residues pruned to eliminate duplicates Z: 35 37.838 2.213 0.809 0.594 0.971 0.735 CB 1.527 35 residues pruned to eliminate duplicates Z: 35 44.849 2.217 0.963 0.613 1.000 0.618 CB 1.588 35 residues pruned to eliminate duplicates Z: 17 18.343 2.098 0.764 0.528 0.938 0.625 CB 1.286 17 residues pruned to eliminate duplicates Z: 64 43.273 2.157 0.732 0.507 0.968 0.667 CB 1.496 64 residues pruned to eliminate duplicates Z: 17 17.438 1.933 0.946 0.348 0.875 0.562 CB 1.561 17 residues pruned to eliminate duplicates Z: 98 72.248 2.265 0.837 0.580 0.969 0.670 CB 1.684 98 residues pruned to eliminate duplicates Z: 59 52.992 2.207 0.895 0.545 1.000 0.707 CB 1.592 59 residues pruned to eliminate duplicates Z: 63 49.218 2.173 0.905 0.503 0.968 0.694 CB 1.556 63 residues pruned to eliminate duplicates Z: 104 76.387 2.264 0.896 0.593 0.961 0.680 CB 1.669 104 residues pruned to eliminate duplicates Z: 74 67.769 2.307 0.881 0.624 0.986 0.740 CB 1.649 74 residues pruned to eliminate duplicates Z: 55 49.833 2.194 0.952 0.511 0.981 0.648 CB 1.595 55 residues pruned to eliminate duplicates Z: 34 41.886 2.252 0.841 0.620 1.000 0.727 CB 1.570 34 residues pruned to eliminate duplicates Z: 64 42.651 2.147 0.761 0.506 0.937 0.651 CB 1.509 64 residues pruned to eliminate duplicates Z: 64 44.122 2.168 0.837 0.503 0.937 0.714 CB 1.486 64 residues pruned to eliminate duplicates Z: 104 73.057 2.264 0.848 0.578 0.951 0.738 CB 1.677 104 residues pruned to eliminate duplicates Z: 55 45.642 2.181 0.947 0.495 0.944 0.611 CB 1.556 55 residues pruned to eliminate duplicates Z: 104 63.821 2.240 0.749 0.554 0.951 0.670 CB 1.600 104 residues pruned to eliminate duplicates Z: 63 43.627 2.178 0.814 0.508 0.919 0.661 CB 1.514 63 residues pruned to eliminate duplicates Z: 186 93.166 2.301 0.645 0.628 0.935 0.751 CB 1.717 186 residues pruned to eliminate duplicates Z: 73 63.634 2.239 0.897 0.618 0.944 0.653 CB 1.672 73 residues pruned to eliminate duplicates Z: 103 71.038 2.249 0.870 0.573 0.941 0.676 CB 1.657 103 residues pruned to eliminate duplicates Z: 71 50.671 2.179 0.786 0.506 0.971 0.686 CB 1.593 71 residues pruned to eliminate duplicates Z: 105 75.547 2.267 0.863 0.574 0.962 0.712 CB 1.699 105 residues pruned to eliminate duplicates Z: 63 47.317 2.180 0.896 0.515 0.935 0.613 CB 1.531 63 residues pruned to eliminate duplicates Z: 103 66.986 2.244 0.806 0.553 0.941 0.696 CB 1.651 103 residues pruned to eliminate duplicates Z: 43 35.685 2.113 1.021 0.493 0.905 0.571 CB 1.436 43 residues pruned to eliminate duplicates Z: 46 41.172 2.138 0.851 0.538 0.956 0.711 CB 1.564 46 residues pruned to eliminate duplicates Z: 29 25.563 2.114 0.642 0.422 0.929 0.643 CB 1.626 29 residues pruned to eliminate duplicates Z: 28 26.607 2.133 0.740 0.420 0.889 0.630 CB 1.687 28 residues pruned to eliminate duplicates Z: 63 48.155 2.161 0.905 0.492 0.968 0.694 CB 1.548 63 residues pruned to eliminate duplicates Z: 27 27.313 2.138 0.750 0.451 0.923 0.654 CB 1.631 27 residues pruned to eliminate duplicates Z: 139 80.934 2.291 0.599 0.660 0.957 0.725 CB 1.696 139 residues pruned to eliminate duplicates Z: 30 26.763 2.067 0.825 0.403 0.931 0.552 CB 1.568 30 residues pruned to eliminate duplicates Z: 28 24.217 2.118 0.645 0.402 0.926 0.704 CB 1.601 28 residues pruned to eliminate duplicates Z: 42 23.273 2.049 0.563 0.359 0.854 0.610 CB 1.548 42 residues pruned to eliminate duplicates Z: 31 25.187 2.036 0.718 0.407 0.933 0.567 CB 1.553 31 residues pruned to eliminate duplicates Z: 61 50.083 2.172 0.956 0.524 0.967 0.733 CB 1.537 61 residues pruned to eliminate duplicates Z: 45 42.758 2.155 0.854 0.536 0.955 0.705 CB 1.631 45 residues pruned to eliminate duplicates Z: 168 84.714 2.294 0.598 0.641 0.940 0.731 CB 1.668 168 residues pruned to eliminate duplicates Z: 63 49.125 2.182 0.856 0.528 0.968 0.597 CB 1.550 63 residues pruned to eliminate duplicates Z: 70 47.251 2.176 0.805 0.528 0.928 0.652 CB 1.519 70 residues pruned to eliminate duplicates Z: 61 48.783 2.175 0.848 0.504 1.000 0.717 CB 1.561 61 residues pruned to eliminate duplicates Z: 105 64.877 2.230 0.731 0.555 0.942 0.683 CB 1.658 105 residues pruned to eliminate duplicates Z: 62 46.747 2.160 0.784 0.531 0.951 0.672 CB 1.584 62 residues pruned to eliminate duplicates Z: 104 73.317 2.256 0.852 0.574 0.971 0.660 CB 1.658 104 residues pruned to eliminate duplicates Z: 28 28.152 2.123 0.734 0.453 0.926 0.704 CB 1.667 28 residues pruned to eliminate duplicates Z: 177 91.905 2.285 0.691 0.645 0.949 0.756 CB 1.649 177 residues pruned to eliminate duplicates Z: 55 48.037 2.205 0.976 0.501 0.944 0.630 CB 1.586 55 residues pruned to eliminate duplicates Z: 30 25.130 2.065 0.657 0.414 0.931 0.586 CB 1.604 30 residues pruned to eliminate duplicates Z: 61 46.589 2.165 0.883 0.509 0.950 0.700 CB 1.539 61 residues pruned to eliminate duplicates Z: 63 43.393 2.165 0.727 0.506 0.968 0.597 CB 1.513 63 residues pruned to eliminate duplicates Z: 85 53.881 2.201 0.801 0.577 0.905 0.690 CB 1.522 85 residues pruned to eliminate duplicates Z: 29 25.553 2.093 0.643 0.430 0.964 0.607 CB 1.566 29 residues pruned to eliminate duplicates Z: 42 20.078 1.949 0.596 0.327 0.878 0.537 CB 1.389 42 residues pruned to eliminate duplicates Z: 29 23.248 2.097 0.536 0.432 0.929 0.679 CB 1.575 29 residues pruned to eliminate duplicates Z: 66 43.082 2.143 0.840 0.443 0.923 0.631 CB 1.557 66 residues pruned to eliminate duplicates Z: 80 44.276 2.155 0.727 0.473 0.937 0.684 CB 1.468 80 residues pruned to eliminate duplicates Z: 32 24.063 2.146 0.457 0.623 0.871 0.613 CB 1.413 32 residues pruned to eliminate duplicates Z: 100 69.295 2.301 0.496 0.716 0.960 0.828 CB 1.733 100 residues pruned to eliminate duplicates Z: 59 38.461 2.174 0.638 0.552 0.879 0.724 CB 1.533 59 residues pruned to eliminate duplicates Z: 184 90.549 2.274 0.677 0.617 0.945 0.716 CB 1.662 184 residues pruned to eliminate duplicates Z: 11 5.865 1.883 0.414 0.249 0.700 0.400 CB 1.329 11 residues pruned to eliminate duplicates Z: 13 5.789 1.857 0.443 0.246 0.750 0.333 CB 1.115 13 residues pruned to eliminate duplicates Z: 214 100.031 2.270 0.696 0.632 0.948 0.718 CB 1.659 214 residues pruned to eliminate duplicates Z: 7 3.718 1.875 0.525 0.278 0.667 0.500 CB 1.023 7 residues pruned to eliminate duplicates Z: 101 66.792 2.322 0.507 0.684 0.930 0.730 CB 1.734 101 residues pruned to eliminate duplicates Z: 91 69.723 2.372 0.498 0.742 0.922 0.811 CB 1.805 91 residues pruned to eliminate duplicates Z: 15 28.986 2.303 0.648 0.789 0.929 0.857 CB 1.706 15 residues pruned to eliminate duplicates Z: 92 87.578 2.292 0.956 0.751 0.956 0.681 CB 1.713 92 residues pruned to eliminate duplicates Z: 68 60.012 2.318 0.472 0.791 0.955 0.866 CB 1.743 68 residues pruned to eliminate duplicates Z: 109 79.564 2.360 0.590 0.739 0.944 0.787 CB 1.744 109 residues pruned to eliminate duplicates Z: 76 57.650 2.248 0.506 0.734 0.947 0.787 CB 1.683 71 residues pruned to eliminate duplicates Z: 23 43.106 2.255 0.981 0.939 1.000 0.818 CB 1.429 23 residues pruned to eliminate duplicates Z: 67 66.523 2.330 0.652 0.804 0.955 0.864 CB 1.708 67 residues pruned to eliminate duplicates Z: 109 82.847 2.365 0.607 0.748 0.954 0.769 CB 1.762 109 residues pruned to eliminate duplicates Z: 94 83.279 2.334 0.700 0.768 0.968 0.828 CB 1.775 94 residues pruned to eliminate duplicates Z: 126 85.334 2.287 0.721 0.702 0.952 0.712 CB 1.694 126 residues pruned to eliminate duplicates Z: 110 83.418 2.327 0.698 0.735 0.954 0.789 CB 1.716 110 residues pruned to eliminate duplicates Z: 119 85.457 2.326 0.719 0.738 0.941 0.780 CB 1.689 119 residues pruned to eliminate duplicates Z: 75 77.208 2.355 0.724 0.767 0.973 0.851 CB 1.793 75 residues pruned to eliminate duplicates Z: 114 77.507 2.306 0.661 0.705 0.929 0.743 CB 1.700 114 residues pruned to eliminate duplicates Z: 176 91.010 2.271 0.652 0.650 0.966 0.754 CB 1.652 176 residues pruned to eliminate duplicates Z: 55 58.501 2.258 0.540 0.742 0.981 0.833 CB 1.879 55 residues pruned to eliminate duplicates Z: 69 66.036 2.286 0.703 0.780 0.956 0.779 CB 1.682 69 residues pruned to eliminate duplicates Z: 43 47.612 2.306 0.364 0.797 0.976 0.810 CB 1.845 43 residues pruned to eliminate duplicates Z: 63 69.842 2.334 0.650 0.835 0.968 0.887 CB 1.783 63 residues pruned to eliminate duplicates Z: 115 72.252 2.334 0.548 0.713 0.895 0.763 CB 1.725 115 residues pruned to eliminate duplicates Z: 109 70.243 2.297 0.587 0.711 0.926 0.750 CB 1.654 109 residues pruned to eliminate duplicates Z: 70 64.622 2.367 0.502 0.747 0.942 0.826 CB 1.862 70 residues pruned to eliminate duplicates Z: 54 57.119 2.371 0.436 0.751 0.981 0.868 CB 1.878 54 residues pruned to eliminate duplicates Z: 100 80.919 2.359 0.676 0.754 0.939 0.798 CB 1.747 100 residues pruned to eliminate duplicates Z: 86 73.679 2.343 0.689 0.749 0.941 0.753 CB 1.718 86 residues pruned to eliminate duplicates Z: 35 49.748 2.272 0.441 0.933 1.000 0.882 CB 1.818 35 residues pruned to eliminate duplicates Z: 87 64.801 2.318 0.635 0.733 0.895 0.860 CB 1.671 87 residues pruned to eliminate duplicates Z: 78 67.225 2.353 0.554 0.730 0.948 0.753 CB 1.798 78 residues pruned to eliminate duplicates Z: 64 70.743 2.330 0.657 0.834 0.968 0.841 CB 1.787 64 residues pruned to eliminate duplicates Z: 86 71.550 2.349 0.604 0.711 0.941 0.682 CB 1.807 86 residues pruned to eliminate duplicates Z: 66 70.214 2.314 0.645 0.815 0.985 0.877 CB 1.766 66 residues pruned to eliminate duplicates Z: 94 82.727 2.352 0.734 0.770 0.946 0.806 CB 1.751 94 residues pruned to eliminate duplicates Z: 86 71.701 2.337 0.655 0.718 0.929 0.729 CB 1.776 86 residues pruned to eliminate duplicates Z: 63 74.896 2.306 0.858 0.827 0.968 0.710 CB 1.729 63 residues pruned to eliminate duplicates Z: 42 62.740 2.318 0.713 0.832 1.000 0.756 C 1.852 42 residues pruned to eliminate duplicates Z: 66 82.286 2.340 0.921 0.824 0.954 0.831 CB 1.798 72 residues pruned to eliminate duplicates Z: 41 58.488 2.236 0.696 0.893 0.975 0.675 C 1.795 41 residues pruned to eliminate duplicates Z: 114 88.136 2.310 0.783 0.724 0.938 0.673 CB 1.753 114 residues pruned to eliminate duplicates Z: 85 76.386 2.307 0.777 0.732 0.964 0.631 CB 1.710 85 residues pruned to eliminate duplicates Z: 109 99.876 2.350 0.951 0.755 0.963 0.685 CB 1.735 109 residues pruned to eliminate duplicates Z: 86 80.230 2.315 0.807 0.711 0.941 0.659 CB 1.824 86 residues pruned to eliminate duplicates Z: 107 98.123 2.374 0.856 0.761 0.972 0.745 CB 1.766 107 residues pruned to eliminate duplicates Z: 78 86.913 2.312 1.116 0.733 0.948 0.740 CB 1.733 78 residues pruned to eliminate duplicates Z: 42 66.522 2.280 0.917 0.841 1.000 0.707 C 1.772 42 residues pruned to eliminate duplicates Z: 120 95.146 2.354 0.849 0.713 0.933 0.706 CB 1.771 120 residues pruned to eliminate duplicates Z: 40 69.470 2.301 0.912 0.919 0.974 0.846 C 1.829 40 residues pruned to eliminate duplicates Z: 101 91.765 2.348 0.884 0.756 0.960 0.720 CB 1.720 101 residues pruned to eliminate duplicates Z: 75 91.625 2.354 1.014 0.785 0.986 0.743 CB 1.772 75 residues pruned to eliminate duplicates Z: 173 99.691 2.289 0.730 0.691 0.936 0.669 CB 1.723 173 residues pruned to eliminate duplicates Z: 82 79.382 2.342 0.773 0.721 0.951 0.728 CB 1.830 82 residues pruned to eliminate duplicates Z: 71 77.833 2.318 0.838 0.762 0.943 0.771 C 1.835 71 residues pruned to eliminate duplicates Z: 128 95.966 2.327 0.792 0.751 0.945 0.669 CB 1.728 128 residues pruned to eliminate duplicates Z: 93 96.148 2.376 0.978 0.780 0.946 0.783 CB 1.762 93 residues pruned to eliminate duplicates Z: 75 80.766 2.342 0.806 0.738 0.973 0.716 CB 1.842 75 residues pruned to eliminate duplicates Z: 93 98.568 2.365 0.943 0.781 0.978 0.804 CB 1.785 93 residues pruned to eliminate duplicates Z: 114 94.680 2.330 0.859 0.731 0.965 0.717 CB 1.731 114 residues pruned to eliminate duplicates Z: 99 94.041 2.311 0.891 0.762 0.969 0.704 CB 1.777 99 residues pruned to eliminate duplicates Z: 99 88.496 2.320 0.892 0.760 0.939 0.745 CB 1.723 99 residues pruned to eliminate duplicates Z: 54 69.664 2.312 0.870 0.745 0.981 0.717 CB 1.811 54 residues pruned to eliminate duplicates Z: 78 85.606 2.348 0.940 0.756 0.974 0.766 CB 1.752 78 residues pruned to eliminate duplicates Z: 92 100.660 2.377 0.935 0.789 0.989 0.758 CB 1.800 92 residues pruned to eliminate duplicates Z: 6 7.323 1.945 1.218 0.227 0.800 0.400 CA 1.306 6 residues pruned to eliminate duplicates Z: 97 95.272 2.347 0.940 0.765 0.969 0.729 CB 1.743 97 residues pruned to eliminate duplicates Z: 112 95.891 2.332 0.840 0.770 0.964 0.712 CB 1.732 93 residues pruned to eliminate duplicates Z: 19 36.035 2.368 0.506 0.892 0.944 0.833 C 1.812 19 residues pruned to eliminate duplicates Z: 124 89.332 2.297 0.806 0.689 0.927 0.634 CB 1.761 124 residues pruned to eliminate duplicates Z: 109 94.635 2.345 0.857 0.749 0.944 0.722 CB 1.773 109 residues pruned to eliminate duplicates Z: 85 86.392 2.349 0.882 0.730 0.964 0.655 CB 1.798 85 residues pruned to eliminate duplicates Z: 86 79.943 2.322 0.845 0.712 0.929 0.635 CB 1.796 86 residues pruned to eliminate duplicates Z: 108 93.686 2.323 0.918 0.739 0.935 0.682 CB 1.756 108 residues pruned to eliminate duplicates Z: 92 99.444 2.379 0.943 0.794 0.978 0.802 CB 1.782 92 residues pruned to eliminate duplicates Z: 108 97.063 2.370 0.876 0.751 0.963 0.785 CB 1.752 108 residues pruned to eliminate duplicates Z: 120 94.456 2.359 0.779 0.717 0.941 0.639 CB 1.802 120 residues pruned to eliminate duplicates Z: 108 99.545 2.356 0.912 0.759 0.972 0.720 CB 1.745 108 residues pruned to eliminate duplicates Z: 92 82.006 2.289 0.934 0.768 0.901 0.714 CB 1.699 92 residues pruned to eliminate duplicates Z: 108 99.962 2.358 0.959 0.750 0.953 0.692 CB 1.756 108 residues pruned to eliminate duplicates Z: 75 76.813 2.288 0.855 0.721 0.959 0.770 CB 1.796 75 residues pruned to eliminate duplicates Z: 31 37.473 2.291 0.699 0.682 0.933 0.567 CB 1.594 31 residues pruned to eliminate duplicates Z: 30 38.912 2.233 0.951 0.634 0.931 0.759 CB 1.572 30 residues pruned to eliminate duplicates Z: 100 93.803 2.359 0.902 0.759 0.939 0.707 CB 1.777 100 residues pruned to eliminate duplicates Z: 109 94.529 2.328 0.934 0.742 0.935 0.704 CB 1.740 109 residues pruned to eliminate duplicates Z: 106 96.812 2.352 0.893 0.768 0.952 0.771 CB 1.757 106 residues pruned to eliminate duplicates Z: 100 93.794 2.340 0.885 0.771 0.960 0.778 CB 1.752 100 residues pruned to eliminate duplicates Z: 107 89.748 2.307 0.910 0.731 0.943 0.660 CB 1.703 107 residues pruned to eliminate duplicates Z: 17 20.807 2.264 0.622 0.482 0.938 0.438 CB 1.538 17 residues pruned to eliminate duplicates Z: 100 101.017 2.357 0.986 0.765 0.960 0.747 CB 1.786 100 residues pruned to eliminate duplicates Z: 107 91.015 2.344 0.810 0.750 0.962 0.774 CB 1.732 107 residues pruned to eliminate duplicates Z: 9 20.966 2.344 0.546 0.646 1.000 0.500 CB 1.785 9 residues pruned to eliminate duplicates Z: 11 16.201 2.163 0.754 0.585 0.900 0.500 CB 1.383 11 residues pruned to eliminate duplicates Z: 90 81.693 2.324 0.844 0.723 0.933 0.708 CB 1.771 90 residues pruned to eliminate duplicates Z: 149 88.587 2.270 0.789 0.675 0.926 0.723 CB 1.648 149 residues pruned to eliminate duplicates Z: 29 27.395 2.237 0.608 0.554 0.857 0.500 CB 1.593 29 residues pruned to eliminate duplicates Z: 26 24.718 2.110 0.594 0.502 0.880 0.560 CA 1.667 26 residues pruned to eliminate duplicates Z: 10 11.056 2.158 0.400 0.524 0.778 0.667 CA 1.532 10 residues pruned to eliminate duplicates Z: 9 16.351 2.339 0.410 0.637 0.875 0.500 CB 1.762 9 residues pruned to eliminate duplicates Z: 15 12.505 2.120 0.355 0.345 0.857 0.357 CB 1.605 15 residues pruned to eliminate duplicates Z: 54 45.706 2.223 0.578 0.599 0.943 0.660 CB 1.727 54 residues pruned to eliminate duplicates Z: 27 27.841 2.250 0.480 0.503 0.885 0.654 CA 1.848 27 residues pruned to eliminate duplicates Z: 12 13.170 2.289 0.085 0.501 0.909 0.727 CB 1.758 12 residues pruned to eliminate duplicates Z: 13 11.089 2.172 -0.039 0.534 0.917 0.667 CB 1.619 13 residues pruned to eliminate duplicates Z: 15 17.656 2.156 0.293 0.562 1.000 0.714 CB 1.594 15 residues pruned to eliminate duplicates Z: 15 19.954 2.131 0.472 0.553 1.000 0.643 CB 1.615 15 residues pruned to eliminate duplicates Z: 22 25.637 2.160 0.643 0.513 0.905 0.667 CB 1.721 22 residues pruned to eliminate duplicates Z: 21 23.265 2.142 0.388 0.582 0.950 0.550 CA 1.701 21 residues pruned to eliminate duplicates Z: 20 27.901 2.146 0.751 0.580 1.000 0.684 CB 1.577 20 residues pruned to eliminate duplicates Z: 47 47.978 2.167 0.819 0.606 0.957 0.696 CB 1.696 47 residues pruned to eliminate duplicates Z: 56 48.916 2.172 0.703 0.641 0.964 0.655 CB 1.622 56 residues pruned to eliminate duplicates Z: 46 46.140 2.206 0.631 0.659 0.978 0.756 CB 1.687 46 residues pruned to eliminate duplicates Z: 37 46.151 2.177 0.881 0.655 0.972 0.694 CB 1.673 37 residues pruned to eliminate duplicates Z: 37 42.262 2.168 0.846 0.644 0.944 0.778 CB 1.628 37 residues pruned to eliminate duplicates Z: 82 73.684 2.197 0.849 0.710 0.963 0.667 CB 1.731 82 residues pruned to eliminate duplicates Z: 46 52.205 2.220 0.799 0.656 0.978 0.667 CB 1.724 46 residues pruned to eliminate duplicates Z: 37 43.464 2.167 0.899 0.639 0.944 0.722 CB 1.636 37 residues pruned to eliminate duplicates Z: 36 42.832 2.172 0.840 0.638 0.971 0.743 CB 1.639 36 residues pruned to eliminate duplicates Z: 45 51.559 2.238 0.746 0.651 1.000 0.705 CB 1.729 45 residues pruned to eliminate duplicates Z: 36 42.617 2.184 0.756 0.674 0.971 0.857 CB 1.647 36 residues pruned to eliminate duplicates Z: 46 46.127 2.193 0.753 0.623 0.956 0.689 CB 1.667 46 residues pruned to eliminate duplicates Z: 37 46.789 2.171 0.936 0.662 0.944 0.722 CA 1.691 37 residues pruned to eliminate duplicates Z: 45 54.186 2.240 0.824 0.657 1.000 0.750 CB 1.729 45 residues pruned to eliminate duplicates Z: 37 46.131 2.172 0.866 0.637 0.972 0.694 CB 1.717 37 residues pruned to eliminate duplicates Z: 37 43.334 2.149 0.923 0.641 0.944 0.750 CB 1.621 37 residues pruned to eliminate duplicates Z: 36 42.279 2.149 0.886 0.639 0.943 0.743 CB 1.642 36 residues pruned to eliminate duplicates Z: 37 44.394 2.160 0.822 0.669 0.944 0.750 CB 1.702 37 residues pruned to eliminate duplicates Z: 50 42.074 2.136 0.720 0.565 0.939 0.673 CB 1.637 50 residues pruned to eliminate duplicates Z: 47 50.990 2.188 0.829 0.650 0.978 0.761 CB 1.670 47 residues pruned to eliminate duplicates Z: 46 47.813 2.194 0.754 0.644 0.978 0.711 CB 1.656 46 residues pruned to eliminate duplicates Z: 36 47.498 2.174 0.984 0.653 0.971 0.657 CB 1.661 36 residues pruned to eliminate duplicates Z: 54 55.149 2.200 0.888 0.638 0.925 0.717 CB 1.733 54 residues pruned to eliminate duplicates Z: 28 34.758 2.067 0.800 0.717 0.963 0.815 CB 1.535 28 residues pruned to eliminate duplicates Z: 46 51.648 2.205 0.807 0.654 0.978 0.667 CB 1.711 46 residues pruned to eliminate duplicates Z: 48 45.321 2.162 0.803 0.602 0.915 0.596 CB 1.682 48 residues pruned to eliminate duplicates Z: 54 53.112 2.188 0.797 0.624 0.962 0.660 CB 1.716 54 residues pruned to eliminate duplicates Z: 36 42.472 2.171 0.843 0.636 0.971 0.714 CB 1.626 36 residues pruned to eliminate duplicates Z: 36 37.241 2.122 0.693 0.607 0.971 0.686 CB 1.630 36 residues pruned to eliminate duplicates Z: 36 50.432 2.188 1.007 0.683 0.971 0.714 CB 1.690 36 residues pruned to eliminate duplicates Z: 55 55.281 2.225 0.808 0.654 0.963 0.704 CB 1.683 55 residues pruned to eliminate duplicates Z: 54 49.613 2.181 0.699 0.640 0.943 0.623 CB 1.710 54 residues pruned to eliminate duplicates Z: 53 52.624 2.214 0.731 0.639 0.962 0.692 CB 1.739 53 residues pruned to eliminate duplicates Z: 37 45.760 2.160 0.974 0.647 0.944 0.750 CB 1.651 37 residues pruned to eliminate duplicates 653 residues left after pruning, divided into chains as follows: A: 33 B: 73 C: 25 D: 185 E: 27 F: 310 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 37.76 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.369, Connect. = 0.723 for dens.mod. cycle 1 = 0.300, Contrast = 0.424, Connect. = 0.748 for dens.mod. cycle 2 = 0.300, Contrast = 0.502, Connect. = 0.780 for dens.mod. cycle 3 = 0.300, Contrast = 0.509, Connect. = 0.781 for dens.mod. cycle 4 = 0.300, Contrast = 0.519, Connect. = 0.784 for dens.mod. cycle 5 = 0.300, Contrast = 0.526, Connect. = 0.785 for dens.mod. cycle 6 = 0.300, Contrast = 0.534, Connect. = 0.787 for dens.mod. cycle 7 = 0.300, Contrast = 0.540, Connect. = 0.789 for dens.mod. cycle 8 = 0.300, Contrast = 0.545, Connect. = 0.790 for dens.mod. cycle 9 = 0.300, Contrast = 0.549, Connect. = 0.790 for dens.mod. cycle 10 TimeTaking 332.77