null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 16:13:11 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: ./2hr2-2.5-parrot-hancs/2hr2-2.5-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2hr2-2.5-parrot-hancs/2hr2-2.5-parrot-hancs.ins Phases from ./2hr2-2.5-parrot-hancs/2hr2-2.5-parrot-hancs.phi Native data from ./2hr2-2.5-parrot-hancs/2hr2-2.5-parrot-hancs.hkl Listing output to ./2hr2-2.5-parrot-hancs/2hr2-2.5-parrot-hancs.lst Phases output to ./2hr2-2.5-parrot-hancs/2hr2-2.5-parrot-hancs.phs Poly-Ala trace output to ./2hr2-2.5-parrot-hancs/2hr2-2.5-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 47715 Reflections read from file ./2hr2-2.5-parrot-hancs/2hr2-2.5-parrot-hancs.phi 47715 Reflections read from file ./2hr2-2.5-parrot-hancs/2hr2-2.5-parrot-hancs.hkl 47715 Unique data, highest resolution = 2.540 Angstroms Anisotropic scaling: intensities multiplied by -0.000527h^2 +0.000370k^2 +0.000072l^2 +0.000000kl +0.000000hl +0.000000hk 410 Reflections with d > 2.740 and 0 in range 2.740 > d > 2.540 added Density sharpening factor set to 0.00 Fourier grid = 128 x 128 x 53 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.649 ** -f missing ?? ** = 0.300, Contrast = 0.602, Connect. = 0.707 for dens.mod. cycle 1 = 0.300, Contrast = 0.688, Connect. = 0.712 for dens.mod. cycle 2 = 0.300, Contrast = 0.846, Connect. = 0.740 for dens.mod. cycle 3 = 0.300, Contrast = 0.892, Connect. = 0.753 for dens.mod. cycle 4 = 0.300, Contrast = 0.912, Connect. = 0.761 for dens.mod. cycle 5 = 0.300, Contrast = 0.922, Connect. = 0.767 for dens.mod. cycle 6 = 0.300, Contrast = 0.926, Connect. = 0.770 for dens.mod. cycle 7 = 0.300, Contrast = 0.927, Connect. = 0.772 for dens.mod. cycle 8 = 0.300, Contrast = 0.925, Connect. = 0.774 for dens.mod. cycle 9 = 0.300, Contrast = 0.923, Connect. = 0.775 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2721 peaks > 0.5 sigma used to seed fragment search Space for about 1576 unique residues taking solvent into account 758 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 24 32.196 1.911 0.962 0.936 0.957 0.826 CB 1.303 B: 19 21.178 1.983 0.880 0.912 1.000 0.722 CB 0.948 C: 20 32.262 1.925 0.988 0.914 0.947 0.737 CB 1.444 D: 20 24.343 1.950 1.119 0.930 0.947 0.737 CB 0.997 E: 23 26.687 1.819 0.925 0.924 1.000 0.773 CB 1.141 F: 22 26.052 1.850 1.043 0.943 1.000 0.905 CB 1.043 G: 9 21.695 2.130 0.730 0.863 1.000 1.000 CB 1.528 H: 24 26.245 1.814 0.887 0.907 1.000 0.826 CB 1.137 25 residues pruned to eliminate duplicates I: 22 34.591 1.939 1.136 0.901 1.000 0.762 CB 1.301 J: 18 28.046 1.785 0.749 0.910 1.000 0.882 CB 1.545 K: 20 28.325 1.964 0.969 0.917 0.947 0.789 CB 1.252 L: 19 33.260 2.040 0.770 0.898 1.000 0.944 CB 1.552 9 residues pruned to eliminate duplicates M: 20 32.275 1.947 0.935 0.915 1.000 0.789 CB 1.389 20 residues pruned to eliminate duplicates N: 21 29.643 1.911 1.024 0.922 0.900 0.850 CB 1.338 O: 36 33.029 1.892 0.871 0.841 0.971 0.771 CB 1.210 19 residues pruned to eliminate duplicates P: 18 35.628 2.070 0.781 0.920 1.000 0.941 CB 1.651 19 residues pruned to eliminate duplicates Q: 19 30.340 2.022 1.076 0.918 0.944 0.833 CB 1.272 19 residues pruned to eliminate duplicates R: 20 23.178 2.007 0.779 0.926 1.000 1.000 CB 1.044 19 residues pruned to eliminate duplicates S: 19 29.946 1.928 0.746 0.936 1.000 0.833 CB 1.461 T: 23 27.651 1.837 1.012 0.875 1.000 0.818 CB 1.160 23 residues pruned to eliminate duplicates U: 21 24.349 1.835 0.823 0.923 1.000 0.900 CB 1.144 21 residues pruned to eliminate duplicates V: 11 25.597 2.107 0.827 0.926 1.000 0.800 CB 1.475 11 residues pruned to eliminate duplicates W: 23 33.217 1.869 0.864 0.910 1.000 0.818 CB 1.442 X: 18 23.317 1.860 1.085 0.893 0.941 0.706 CB 1.112 Y: 16 33.638 1.904 0.918 0.908 1.000 1.000 CB 1.689 Z: 20 30.464 1.951 0.982 0.945 1.000 0.842 CB 1.251 20 residues pruned to eliminate duplicates Z: 23 28.521 1.887 1.002 0.914 0.955 0.773 CB 1.192 Z: 22 29.740 1.950 0.645 0.914 1.000 0.857 CB 1.431 Z: 19 32.199 1.904 0.823 0.950 1.000 1.000 CB 1.507 Z: 19 22.093 1.689 0.571 0.916 1.000 0.944 CB 1.386 19 residues pruned to eliminate duplicates Z: 18 32.286 2.033 0.836 0.938 1.000 0.882 CB 1.458 18 residues pruned to eliminate duplicates Z: 26 30.546 1.925 1.046 0.825 0.920 0.720 CB 1.272 26 residues pruned to eliminate duplicates Z: 19 28.387 1.982 0.976 0.929 1.000 0.778 CB 1.195 19 residues pruned to eliminate duplicates Z: 19 23.824 1.952 1.046 0.930 1.000 0.722 CB 0.983 19 residues pruned to eliminate duplicates Z: 23 27.241 1.838 0.842 0.922 1.000 0.682 CB 1.206 Z: 22 22.191 1.745 0.683 0.912 0.952 0.857 CB 1.226 22 residues pruned to eliminate duplicates Z: 21 30.544 1.912 1.043 0.901 0.900 0.750 CB 1.387 20 residues pruned to eliminate duplicates Z: 18 27.091 1.864 0.903 0.920 1.000 0.941 CB 1.305 Z: 20 27.161 1.901 1.138 0.959 1.000 0.947 CB 1.051 21 residues pruned to eliminate duplicates Z: 21 24.561 1.868 1.213 0.937 1.000 0.700 CB 0.924 21 residues pruned to eliminate duplicates Z: 23 30.218 1.898 0.876 0.926 1.000 0.864 CB 1.268 22 residues pruned to eliminate duplicates Z: 18 22.481 1.903 1.103 0.934 1.000 0.882 CB 0.950 16 residues pruned to eliminate duplicates Z: 20 23.976 1.906 0.825 0.942 0.947 0.895 CB 1.158 20 residues pruned to eliminate duplicates Z: 23 26.969 1.883 0.908 0.900 0.955 0.636 CB 1.198 23 residues pruned to eliminate duplicates Z: 23 31.306 1.896 0.882 0.929 1.000 0.955 CB 1.309 23 residues pruned to eliminate duplicates Z: 17 28.528 1.849 1.202 0.883 0.938 0.812 CB 1.351 17 residues pruned to eliminate duplicates Z: 17 23.782 1.784 0.617 0.910 1.000 0.875 CB 1.461 Z: 22 21.694 1.724 0.677 0.875 0.952 0.857 CB 1.251 22 residues pruned to eliminate duplicates Z: 24 25.025 1.860 0.910 0.915 0.826 0.435 CB 1.256 24 residues pruned to eliminate duplicates Z: 23 26.762 1.866 0.976 0.875 0.909 0.455 CB 1.238 23 residues pruned to eliminate duplicates Z: 24 30.955 1.845 1.227 0.947 1.000 0.565 CB 1.086 24 residues pruned to eliminate duplicates Z: 16 20.308 1.730 0.691 0.848 0.933 0.867 CB 1.424 Z: 14 33.452 2.129 0.914 0.927 1.000 0.923 CB 1.595 14 residues pruned to eliminate duplicates Z: 17 20.306 1.792 0.585 0.926 1.000 0.812 CB 1.253 16 residues pruned to eliminate duplicates Z: 20 27.867 1.912 0.923 0.845 0.947 0.737 CB 1.365 20 residues pruned to eliminate duplicates Z: 21 32.769 1.939 0.947 0.915 1.000 0.850 CB 1.372 21 residues pruned to eliminate duplicates Z: 24 30.548 1.870 0.815 0.937 1.000 0.957 CB 1.306 24 residues pruned to eliminate duplicates Z: 17 24.594 1.830 0.701 0.926 0.938 0.938 O 1.478 17 residues pruned to eliminate duplicates Z: 20 28.225 1.849 0.970 0.931 0.947 0.789 CB 1.311 20 residues pruned to eliminate duplicates Z: 24 35.441 1.909 0.983 0.936 0.957 0.870 CB 1.421 24 residues pruned to eliminate duplicates Z: 21 32.306 1.926 0.951 0.930 1.000 0.850 CB 1.345 21 residues pruned to eliminate duplicates Z: 24 33.497 1.920 0.926 0.942 0.957 0.870 CB 1.370 24 residues pruned to eliminate duplicates Z: 21 26.926 1.751 0.786 0.900 1.000 0.700 CB 1.375 Z: 19 28.005 1.967 0.974 0.920 1.000 0.833 CB 1.198 19 residues pruned to eliminate duplicates Z: 18 25.829 1.980 0.556 0.923 1.000 1.000 CB 1.429 Z: 23 32.780 1.963 0.992 0.939 0.955 0.864 CB 1.301 23 residues pruned to eliminate duplicates Z: 19 29.365 1.994 0.665 0.894 1.000 0.833 CB 1.496 18 residues pruned to eliminate duplicates Z: 19 20.387 1.954 0.995 0.936 1.000 0.833 CB 0.858 19 residues pruned to eliminate duplicates Z: 21 25.438 1.718 0.782 0.930 0.950 0.950 CB 1.368 Z: 19 28.899 1.915 0.782 0.924 1.000 1.000 CB 1.402 Z: 23 32.898 1.886 0.959 0.903 0.955 0.818 CB 1.417 22 residues pruned to eliminate duplicates Z: 15 23.688 1.897 0.693 0.907 1.000 0.857 CB 1.401 18 residues pruned to eliminate duplicates Z: 22 27.028 1.862 0.826 0.882 1.000 0.762 CB 1.255 22 residues pruned to eliminate duplicates Z: 22 28.744 1.961 0.873 0.922 0.952 0.905 CB 1.261 22 residues pruned to eliminate duplicates Z: 18 29.727 1.797 0.850 0.924 1.000 1.000 CB 1.523 18 residues pruned to eliminate duplicates Z: 17 23.962 1.866 0.796 0.923 1.000 0.812 CB 1.257 17 residues pruned to eliminate duplicates Z: 22 32.936 1.931 0.894 0.929 1.000 0.905 CB 1.375 23 residues pruned to eliminate duplicates Z: 20 24.317 1.744 0.727 0.935 1.000 1.000 CB 1.291 20 residues pruned to eliminate duplicates Z: 17 24.085 1.880 0.794 0.940 1.000 1.000 CB 1.241 17 residues pruned to eliminate duplicates Z: 21 27.094 1.801 1.183 0.924 0.900 0.350 CB 1.202 21 residues pruned to eliminate duplicates Z: 18 29.873 1.946 0.928 0.832 0.941 0.706 CB 1.541 16 residues pruned to eliminate duplicates Z: 18 22.691 1.926 0.744 0.932 1.000 0.941 CB 1.144 18 residues pruned to eliminate duplicates Z: 19 22.761 1.825 0.630 0.919 0.944 0.944 CB 1.345 19 residues pruned to eliminate duplicates Z: 18 21.399 1.958 0.652 0.903 1.000 0.941 CB 1.144 18 residues pruned to eliminate duplicates Z: 24 28.155 1.845 0.798 0.860 0.957 0.696 CB 1.361 24 residues pruned to eliminate duplicates Z: 20 23.148 1.936 0.943 0.897 0.947 0.789 CB 1.067 20 residues pruned to eliminate duplicates Z: 19 22.483 1.898 0.516 0.916 1.000 0.833 CB 1.301 19 residues pruned to eliminate duplicates Z: 18 24.964 2.006 1.178 0.936 0.941 0.765 CB 1.025 18 residues pruned to eliminate duplicates Z: 19 21.591 1.671 0.674 0.897 1.000 0.833 CB 1.302 Z: 21 32.548 1.985 1.154 0.927 0.950 0.800 CB 1.256 22 residues pruned to eliminate duplicates Z: 21 27.290 1.862 0.822 0.888 0.950 0.750 CB 1.364 21 residues pruned to eliminate duplicates Z: 17 22.253 1.829 0.594 0.942 1.000 0.938 CB 1.323 17 residues pruned to eliminate duplicates Z: 18 27.296 1.672 0.964 0.881 1.000 0.882 CA 1.460 18 residues pruned to eliminate duplicates Z: 19 26.187 1.792 1.166 0.919 0.944 0.556 CB 1.186 20 residues pruned to eliminate duplicates Z: 20 28.250 1.948 1.147 0.907 0.947 0.579 CB 1.162 20 residues pruned to eliminate duplicates Z: 17 23.582 1.832 0.660 0.897 1.000 0.750 CB 1.388 15 residues pruned to eliminate duplicates Z: 19 23.939 1.888 0.615 0.821 1.000 1.000 CB 1.401 Z: 20 29.052 1.847 0.907 0.907 0.947 0.842 CB 1.419 20 residues pruned to eliminate duplicates Z: 15 21.602 1.831 0.819 0.917 1.000 0.929 CB 1.223 15 residues pruned to eliminate duplicates Z: 20 25.759 1.951 1.111 0.935 1.000 0.895 CB 1.000 20 residues pruned to eliminate duplicates Z: 22 35.682 1.970 1.280 0.863 0.952 0.667 CB 1.335 22 residues pruned to eliminate duplicates Z: 17 18.800 1.789 0.795 0.874 0.938 0.688 CB 1.136 17 residues pruned to eliminate duplicates Z: 23 30.657 1.946 0.777 0.924 0.955 0.864 CB 1.391 23 residues pruned to eliminate duplicates Z: 17 29.657 1.836 0.971 0.884 0.938 0.875 CA 1.579 17 residues pruned to eliminate duplicates Z: 21 29.959 1.911 1.005 0.913 0.950 0.750 CB 1.303 21 residues pruned to eliminate duplicates Z: 23 29.142 1.868 0.891 0.886 1.000 0.818 CB 1.269 23 residues pruned to eliminate duplicates Z: 17 19.312 1.842 0.418 0.916 1.000 1.000 CB 1.306 17 residues pruned to eliminate duplicates Z: 16 17.534 1.663 0.518 0.932 1.000 0.933 CB 1.252 Z: 24 32.553 1.835 1.096 0.897 1.000 0.826 CB 1.263 22 residues pruned to eliminate duplicates Z: 18 19.159 1.844 0.409 0.886 0.882 0.706 CB 1.463 18 residues pruned to eliminate duplicates Z: 19 23.256 1.831 0.560 0.943 1.000 0.944 CB 1.330 19 residues pruned to eliminate duplicates Z: 23 26.154 1.839 0.874 0.931 0.955 0.909 CB 1.184 23 residues pruned to eliminate duplicates Z: 19 25.773 1.721 0.871 0.927 1.000 0.944 CB 1.322 Z: 21 25.324 1.824 0.983 0.896 0.950 0.800 CB 1.180 Z: 21 31.683 1.897 0.858 0.854 1.000 0.750 CB 1.484 21 residues pruned to eliminate duplicates Z: 21 24.937 1.818 0.707 0.881 0.950 0.850 CB 1.370 20 residues pruned to eliminate duplicates Z: 20 24.268 1.858 0.677 0.911 1.000 0.842 CB 1.266 20 residues pruned to eliminate duplicates Z: 20 30.906 1.953 1.148 0.896 0.895 0.789 CB 1.354 20 residues pruned to eliminate duplicates Z: 18 21.515 1.854 0.518 0.888 1.000 0.765 CB 1.336 18 residues pruned to eliminate duplicates Z: 19 24.671 1.815 0.864 0.865 1.000 0.778 CB 1.260 19 residues pruned to eliminate duplicates Z: 16 23.205 1.853 0.754 0.867 0.933 0.733 CB 1.444 16 residues pruned to eliminate duplicates Z: 23 35.606 1.860 1.037 0.945 1.000 0.909 CB 1.387 23 residues pruned to eliminate duplicates Z: 20 33.049 1.935 1.126 0.925 0.947 0.684 CB 1.366 21 residues pruned to eliminate duplicates Z: 22 33.156 1.919 1.060 0.903 1.000 0.905 CB 1.305 21 residues pruned to eliminate duplicates Z: 16 33.097 1.885 0.974 0.902 1.000 1.000 CB 1.637 16 residues pruned to eliminate duplicates Z: 19 21.513 1.792 0.774 0.873 0.889 0.778 CB 1.307 19 residues pruned to eliminate duplicates Z: 16 22.879 1.781 0.773 0.879 1.000 0.867 CB 1.356 16 residues pruned to eliminate duplicates Z: 14 20.951 1.785 0.895 0.858 1.000 0.769 CB 1.265 13 residues pruned to eliminate duplicates Z: 19 31.075 1.950 0.867 0.897 1.000 0.833 CB 1.440 19 residues pruned to eliminate duplicates Z: 21 23.869 1.730 0.671 0.907 0.950 0.900 CB 1.381 21 residues pruned to eliminate duplicates Z: 21 30.170 1.983 0.867 0.936 1.000 0.850 CB 1.269 21 residues pruned to eliminate duplicates Z: 15 26.666 1.872 0.778 0.922 1.000 0.929 CB 1.506 16 residues pruned to eliminate duplicates Z: 19 24.457 1.756 0.876 0.859 1.000 0.778 CB 1.288 20 residues pruned to eliminate duplicates Z: 21 26.322 1.821 0.710 0.932 1.000 0.850 CB 1.320 21 residues pruned to eliminate duplicates Z: 18 27.641 1.899 0.790 0.888 1.000 0.882 CB 1.420 18 residues pruned to eliminate duplicates Z: 19 21.930 1.887 1.015 0.872 0.944 0.556 CB 1.049 19 residues pruned to eliminate duplicates Z: 19 27.085 1.800 0.886 0.887 1.000 0.778 CB 1.356 18 residues pruned to eliminate duplicates Z: 15 14.705 1.762 0.526 0.845 1.000 0.571 CB 1.087 Z: 21 28.752 1.920 1.301 0.931 1.000 0.750 CB 1.017 20 residues pruned to eliminate duplicates Z: 16 23.679 1.863 0.776 0.892 0.933 0.800 CB 1.422 18 residues pruned to eliminate duplicates Z: 18 23.150 1.839 0.526 0.924 1.000 1.000 CB 1.405 18 residues pruned to eliminate duplicates Z: 19 21.645 1.843 0.510 0.916 0.944 0.833 CB 1.370 19 residues pruned to eliminate duplicates Z: 24 26.126 1.832 0.731 0.880 1.000 0.870 CB 1.244 24 residues pruned to eliminate duplicates Z: 21 28.358 1.916 0.735 0.942 1.000 0.850 CB 1.322 21 residues pruned to eliminate duplicates Z: 18 29.387 1.897 0.906 0.914 1.000 0.941 CB 1.394 Z: 19 32.823 1.890 0.910 0.928 1.000 0.944 CB 1.500 19 residues pruned to eliminate duplicates Z: 24 32.421 1.886 1.181 0.943 0.957 0.870 CB 1.191 24 residues pruned to eliminate duplicates Z: 16 27.021 1.722 0.832 0.918 1.000 0.867 O 1.559 16 residues pruned to eliminate duplicates Z: 18 22.644 1.853 0.482 0.927 1.000 1.000 CB 1.402 Z: 16 14.626 1.905 0.612 0.600 0.800 0.467 CB 1.397 16 residues pruned to eliminate duplicates Z: 19 26.531 1.738 0.879 0.921 1.000 0.889 CB 1.348 19 residues pruned to eliminate duplicates Z: 18 16.422 1.713 0.560 0.918 1.000 0.824 CB 1.051 15 residues pruned to eliminate duplicates Z: 19 25.221 1.781 0.874 0.898 1.000 0.889 CB 1.274 19 residues pruned to eliminate duplicates Z: 17 20.232 1.865 0.454 0.926 1.000 0.938 CB 1.308 17 residues pruned to eliminate duplicates Z: 19 22.228 1.908 1.079 0.897 1.000 0.778 CB 0.946 19 residues pruned to eliminate duplicates Z: 22 31.835 1.924 0.947 0.914 1.000 0.905 CB 1.311 24 residues pruned to eliminate duplicates Z: 19 18.875 1.829 0.524 0.894 0.944 0.833 CB 1.213 19 residues pruned to eliminate duplicates Z: 22 31.793 1.933 1.027 0.919 0.952 0.810 CB 1.310 22 residues pruned to eliminate duplicates Z: 16 20.760 1.848 0.474 0.916 1.000 0.867 CB 1.390 16 residues pruned to eliminate duplicates Z: 19 16.678 1.896 0.652 0.942 1.000 0.889 CB 0.870 19 residues pruned to eliminate duplicates Z: 22 31.130 1.979 0.856 0.886 0.952 0.810 CB 1.401 22 residues pruned to eliminate duplicates Z: 25 27.320 1.792 0.903 0.912 1.000 0.750 CB 1.158 25 residues pruned to eliminate duplicates Z: 21 23.936 1.783 0.855 0.845 0.900 0.800 CB 1.337 21 residues pruned to eliminate duplicates Z: 22 25.245 1.873 1.017 0.890 0.952 0.667 CB 1.102 22 residues pruned to eliminate duplicates Z: 19 23.496 1.704 0.865 0.913 1.000 0.889 CB 1.234 18 residues pruned to eliminate duplicates Z: 8 2.547 1.568 -0.068 0.416 0.714 0.429 CB 1.007 Z: 19 22.678 1.782 0.695 0.915 0.944 0.778 CB 1.324 19 residues pruned to eliminate duplicates Z: 19 28.352 1.891 0.907 0.890 0.944 0.722 CB 1.412 19 residues pruned to eliminate duplicates Z: 21 27.435 1.898 1.020 0.907 0.950 0.600 CB 1.197 21 residues pruned to eliminate duplicates Z: 17 23.807 1.710 0.837 0.879 1.000 0.812 CB 1.374 17 residues pruned to eliminate duplicates Z: 21 28.040 1.901 0.968 0.903 0.900 0.800 CB 1.327 21 residues pruned to eliminate duplicates Z: 18 19.289 1.735 0.810 0.906 0.941 0.824 CB 1.125 18 residues pruned to eliminate duplicates Z: 27 29.526 1.815 1.080 0.885 0.962 0.808 CB 1.152 27 residues pruned to eliminate duplicates Z: 16 23.242 1.720 0.688 0.922 1.000 1.000 CB 1.454 Z: 24 27.921 1.877 0.708 0.914 1.000 0.870 CB 1.285 24 residues pruned to eliminate duplicates Z: 20 24.177 1.870 0.858 0.897 0.947 0.737 CB 1.206 20 residues pruned to eliminate duplicates Z: 17 21.542 1.679 0.764 0.885 1.000 0.750 CB 1.313 16 residues pruned to eliminate duplicates Z: 18 18.965 1.593 0.626 0.921 1.000 1.000 CB 1.249 Z: 19 25.341 2.009 1.079 0.942 1.000 0.833 CB 0.992 19 residues pruned to eliminate duplicates Z: 19 19.041 1.854 1.243 0.929 1.000 0.889 CB 0.755 Z: 19 24.299 1.929 0.645 0.935 1.000 0.944 CB 1.258 18 residues pruned to eliminate duplicates Z: 18 22.455 1.836 0.923 0.925 1.000 0.882 CB 1.083 18 residues pruned to eliminate duplicates Z: 16 13.167 1.797 0.514 0.937 0.933 0.933 CB 0.932 Z: 18 32.237 2.063 0.835 0.892 0.941 0.824 CB 1.577 18 residues pruned to eliminate duplicates Z: 23 36.653 1.946 1.172 0.942 1.000 0.864 CB 1.282 22 residues pruned to eliminate duplicates Z: 22 33.081 1.895 1.181 0.874 0.952 0.667 CB 1.335 22 residues pruned to eliminate duplicates Z: 18 34.625 2.046 0.834 0.906 1.000 0.882 CB 1.591 18 residues pruned to eliminate duplicates Z: 23 30.150 1.877 1.010 0.898 0.955 0.818 CB 1.277 23 residues pruned to eliminate duplicates Z: 33 23.158 1.823 0.654 0.726 0.875 0.656 CB 1.265 29 residues pruned to eliminate duplicates Z: 23 22.895 1.867 0.602 0.921 0.955 0.955 CB 1.203 23 residues pruned to eliminate duplicates Z: 22 27.425 1.915 0.883 0.875 1.000 0.762 CB 1.207 22 residues pruned to eliminate duplicates Z: 25 31.762 1.815 0.960 0.922 1.000 0.750 CB 1.281 25 residues pruned to eliminate duplicates Z: 19 31.235 1.915 0.875 0.909 1.000 1.000 CB 1.456 19 residues pruned to eliminate duplicates Z: 23 25.415 1.844 0.787 0.908 1.000 0.773 CB 1.168 23 residues pruned to eliminate duplicates Z: 18 17.475 2.013 0.601 0.925 1.000 1.000 CB 0.923 18 residues pruned to eliminate duplicates Z: 21 24.520 1.869 0.970 0.900 0.900 0.750 CB 1.181 21 residues pruned to eliminate duplicates Z: 23 23.826 1.785 0.596 0.883 1.000 0.864 CB 1.289 21 residues pruned to eliminate duplicates Z: 22 32.249 1.863 1.147 0.896 1.000 0.429 CB 1.260 22 residues pruned to eliminate duplicates Z: 19 22.566 1.823 0.668 0.881 1.000 0.722 CB 1.266 19 residues pruned to eliminate duplicates Z: 19 28.340 1.835 0.863 0.918 1.000 0.889 CB 1.378 19 residues pruned to eliminate duplicates Z: 19 23.871 1.863 1.043 0.938 1.000 0.889 CB 1.028 19 residues pruned to eliminate duplicates Z: 12 17.136 1.710 0.618 0.867 1.000 0.727 O 1.366 12 residues pruned to eliminate duplicates Z: 16 18.599 1.659 0.649 0.920 1.000 0.933 CB 1.236 16 residues pruned to eliminate duplicates Z: 19 28.568 1.944 0.763 0.931 1.000 0.889 CB 1.372 19 residues pruned to eliminate duplicates Z: 13 15.497 1.763 0.738 0.852 0.917 0.333 CB 1.178 Z: 18 32.685 2.028 1.016 0.898 0.941 0.882 CB 1.474 18 residues pruned to eliminate duplicates Z: 21 22.052 1.882 0.546 0.892 0.900 0.800 CB 1.352 21 residues pruned to eliminate duplicates Z: 19 29.566 1.802 0.953 0.941 1.000 1.000 CB 1.374 19 residues pruned to eliminate duplicates Z: 22 20.296 1.785 0.563 0.745 0.905 0.762 CB 1.409 21 residues pruned to eliminate duplicates Z: 21 28.658 1.900 1.139 0.924 0.900 0.700 CB 1.231 21 residues pruned to eliminate duplicates Z: 18 25.164 1.869 0.725 0.902 1.000 0.882 CB 1.350 18 residues pruned to eliminate duplicates Z: 22 34.644 1.925 1.156 0.894 0.952 0.714 CB 1.372 23 residues pruned to eliminate duplicates Z: 19 18.397 1.576 0.653 0.862 0.944 0.722 O 1.294 17 residues pruned to eliminate duplicates Z: 20 28.704 1.935 0.678 0.909 1.000 0.789 CB 1.439 20 residues pruned to eliminate duplicates Z: 17 27.436 1.844 0.946 0.920 1.000 0.688 CB 1.347 17 residues pruned to eliminate duplicates Z: 22 29.518 1.935 0.713 0.868 1.000 0.810 CB 1.421 30 residues pruned to eliminate duplicates Z: 17 22.041 1.813 0.569 0.909 1.000 0.812 CB 1.375 17 residues pruned to eliminate duplicates Z: 21 35.754 1.920 1.252 0.893 0.900 0.700 CB 1.475 20 residues pruned to eliminate duplicates Z: 17 21.091 1.876 0.543 0.913 1.000 0.938 CB 1.288 17 residues pruned to eliminate duplicates Z: 20 26.768 1.927 1.127 0.921 1.000 0.789 CB 1.054 20 residues pruned to eliminate duplicates Z: 19 29.320 1.824 1.032 0.917 0.944 0.833 CB 1.393 19 residues pruned to eliminate duplicates Z: 23 22.401 1.800 0.934 0.875 0.909 0.545 CB 1.097 23 residues pruned to eliminate duplicates Z: 19 26.156 1.856 0.731 0.870 0.944 0.611 CB 1.483 19 residues pruned to eliminate duplicates Z: 20 23.419 1.808 0.557 0.918 0.947 0.947 CB 1.421 20 residues pruned to eliminate duplicates Z: 22 19.208 1.835 0.872 0.786 0.810 0.524 CB 1.172 22 residues pruned to eliminate duplicates Z: 20 28.123 1.916 0.895 0.925 1.000 0.947 CB 1.247 20 residues pruned to eliminate duplicates Z: 19 25.567 1.772 1.017 0.895 0.944 0.778 CB 1.280 Z: 23 27.507 1.806 0.891 0.894 0.955 0.500 CB 1.291 23 residues pruned to eliminate duplicates Z: 22 32.432 1.944 0.759 0.907 1.000 0.857 CB 1.470 22 residues pruned to eliminate duplicates Z: 24 28.595 1.839 0.790 0.920 0.913 0.870 CB 1.397 24 residues pruned to eliminate duplicates Z: 16 22.165 1.903 0.497 0.909 1.000 0.933 CB 1.427 16 residues pruned to eliminate duplicates Z: 22 27.169 1.946 0.646 0.936 1.000 1.000 CB 1.289 22 residues pruned to eliminate duplicates Z: 24 28.385 1.885 0.915 0.926 0.913 0.739 CB 1.260 24 residues pruned to eliminate duplicates Z: 20 28.382 1.786 0.996 0.896 1.000 0.947 CB 1.308 21 residues pruned to eliminate duplicates Z: 16 10.310 1.660 0.504 0.535 0.867 0.533 CB 1.189 16 residues pruned to eliminate duplicates Z: 21 24.514 1.887 1.037 0.919 1.000 0.750 CB 1.005 21 residues pruned to eliminate duplicates Z: 24 31.899 1.861 0.924 0.932 1.000 0.870 CB 1.297 24 residues pruned to eliminate duplicates Z: 18 26.325 1.846 0.922 0.918 1.000 0.765 CB 1.269 18 residues pruned to eliminate duplicates Z: 19 40.864 2.020 1.097 0.882 1.000 0.944 CB 1.645 19 residues pruned to eliminate duplicates Z: 17 23.069 1.812 0.827 0.884 0.938 0.750 CB 1.342 17 residues pruned to eliminate duplicates Z: 9 2.845 1.538 0.454 0.456 0.750 0.375 N 0.627 Z: 20 19.142 1.799 0.966 0.935 1.000 0.842 CB 0.865 20 residues pruned to eliminate duplicates Z: 20 36.046 1.973 1.020 0.897 1.000 0.842 CB 1.485 20 residues pruned to eliminate duplicates Z: 17 20.067 1.813 0.576 0.877 1.000 0.938 CB 1.274 17 residues pruned to eliminate duplicates Z: 20 26.362 1.916 1.096 0.896 0.789 0.474 CB 1.366 20 residues pruned to eliminate duplicates Z: 16 32.879 1.874 0.909 0.930 1.000 0.933 CB 1.659 16 residues pruned to eliminate duplicates Z: 19 33.047 1.924 0.907 0.924 1.000 1.000 CB 1.491 19 residues pruned to eliminate duplicates Z: 13 17.188 1.741 0.639 0.904 1.000 0.750 CB 1.238 13 residues pruned to eliminate duplicates Z: 18 20.902 1.755 0.714 0.876 1.000 0.765 CB 1.225 18 residues pruned to eliminate duplicates Z: 12 10.380 1.828 0.244 0.739 1.000 0.636 CB 1.110 12 residues pruned to eliminate duplicates Z: 22 22.114 1.743 0.672 0.875 0.952 0.857 CB 1.264 22 residues pruned to eliminate duplicates Z: 19 27.101 1.799 0.906 0.889 0.944 0.944 CB 1.420 19 residues pruned to eliminate duplicates Z: 21 35.130 1.931 1.333 0.936 0.950 0.750 CB 1.278 21 residues pruned to eliminate duplicates Z: 23 26.996 1.833 0.806 0.911 1.000 0.818 CB 1.232 23 residues pruned to eliminate duplicates Z: 15 27.792 1.857 0.958 0.914 1.000 0.857 CB 1.445 15 residues pruned to eliminate duplicates Z: 23 25.810 1.893 0.809 0.913 0.955 0.636 CB 1.192 23 residues pruned to eliminate duplicates Z: 19 22.409 1.920 0.457 0.915 1.000 1.000 CB 1.335 19 residues pruned to eliminate duplicates Z: 20 24.930 1.625 0.828 0.889 1.000 0.895 CB 1.386 20 residues pruned to eliminate duplicates Z: 21 23.913 1.832 1.268 0.914 1.000 0.650 CB 0.910 19 residues pruned to eliminate duplicates Z: 20 25.926 1.779 0.767 0.920 1.000 0.947 CB 1.333 20 residues pruned to eliminate duplicates Z: 6 2.988 1.429 0.756 0.605 0.600 0.600 CB 0.803 Z: 19 26.106 2.006 0.981 0.931 1.000 0.944 CB 1.082 19 residues pruned to eliminate duplicates Z: 23 26.839 1.844 1.053 0.911 0.955 0.591 CB 1.122 23 residues pruned to eliminate duplicates Z: 18 16.624 1.705 0.589 0.853 1.000 0.706 CB 1.100 17 residues pruned to eliminate duplicates Z: 6 3.063 1.513 0.201 0.398 0.800 0.600 CB 1.049 Z: 21 26.534 1.936 0.879 0.904 0.900 0.800 CB 1.291 21 residues pruned to eliminate duplicates Z: 18 22.217 1.850 0.494 0.921 1.000 0.882 CB 1.372 18 residues pruned to eliminate duplicates Z: 6 4.728 1.693 0.351 0.458 0.800 0.800 CB 1.206 Z: 17 19.951 1.783 0.901 0.824 0.938 0.500 CB 1.185 17 residues pruned to eliminate duplicates Z: 19 24.372 1.934 0.608 0.921 1.000 0.944 CB 1.300 19 residues pruned to eliminate duplicates 6 1.681 1.632 0.213 0.310 0.600 0.400 CB 0.781 ? Z: 22 27.430 1.898 0.875 0.945 0.952 0.667 CB 1.222 22 residues pruned to eliminate duplicates Z: 15 15.148 1.761 0.777 0.867 0.929 0.643 CB 1.019 15 residues pruned to eliminate duplicates Z: 15 16.727 1.737 0.766 0.868 0.929 0.857 CB 1.148 15 residues pruned to eliminate duplicates Z: 20 19.870 1.822 0.688 0.928 1.000 0.895 CB 1.038 20 residues pruned to eliminate duplicates Z: 13 16.510 1.698 0.526 0.936 1.000 1.000 CB 1.281 13 residues pruned to eliminate duplicates Z: 24 27.213 1.888 0.803 0.919 0.957 0.783 CB 1.228 24 residues pruned to eliminate duplicates Z: 21 22.496 1.926 0.941 0.886 0.950 0.750 CB 1.021 21 residues pruned to eliminate duplicates Z: 18 21.228 1.798 0.742 0.857 0.941 0.647 CB 1.287 18 residues pruned to eliminate duplicates Z: 21 30.309 1.880 1.180 0.918 0.900 0.650 CB 1.296 21 residues pruned to eliminate duplicates Z: 18 24.061 1.861 0.660 0.910 1.000 0.765 CB 1.340 18 residues pruned to eliminate duplicates Z: 17 30.541 1.873 0.814 0.900 1.000 0.875 CB 1.606 16 residues pruned to eliminate duplicates Z: 17 22.861 1.714 0.878 0.903 1.000 0.812 CB 1.265 16 residues pruned to eliminate duplicates Z: 26 23.065 1.844 1.164 0.827 0.920 0.520 CB 0.947 26 residues pruned to eliminate duplicates Z: 7 10.649 1.639 1.163 0.849 1.000 0.833 CB 0.909 8 residues pruned to eliminate duplicates Z: 22 28.887 1.930 0.905 0.887 0.905 0.714 CB 1.366 22 residues pruned to eliminate duplicates Z: 23 25.074 1.767 0.898 0.826 0.909 0.682 CB 1.322 23 residues pruned to eliminate duplicates Z: 19 22.755 1.773 0.707 0.887 1.000 0.833 CB 1.277 20 residues pruned to eliminate duplicates Z: 19 22.980 1.749 0.957 0.868 1.000 0.611 CB 1.156 19 residues pruned to eliminate duplicates Z: 19 22.290 1.773 0.689 0.855 0.944 0.889 CB 1.371 13 residues pruned to eliminate duplicates Z: 18 21.250 1.832 0.400 0.891 1.000 0.824 CB 1.444 18 residues pruned to eliminate duplicates Z: 15 21.957 1.924 0.739 0.856 0.929 0.786 CB 1.393 16 residues pruned to eliminate duplicates Z: 22 34.112 1.943 1.086 0.925 1.000 0.810 CB 1.289 22 residues pruned to eliminate duplicates Z: 17 20.414 1.941 0.649 0.912 0.938 0.938 CB 1.205 17 residues pruned to eliminate duplicates Z: 19 20.687 1.857 0.773 0.895 1.000 0.778 CB 1.061 19 residues pruned to eliminate duplicates Z: 18 16.114 1.632 0.530 0.916 1.000 0.882 CB 1.105 18 residues pruned to eliminate duplicates Z: 7 2.623 1.677 1.054 0.891 1.000 1.000 CB 0.223 Z: 6 6.181 1.755 0.466 0.801 1.000 0.800 CB 0.826 Z: 17 23.939 1.690 0.763 0.880 1.000 0.750 CB 1.456 17 residues pruned to eliminate duplicates Z: 18 16.325 1.995 0.541 0.925 0.941 0.882 CB 0.960 18 residues pruned to eliminate duplicates Z: 12 15.580 1.707 0.454 0.902 1.000 0.818 CB 1.350 12 residues pruned to eliminate duplicates Z: 20 14.694 1.647 0.493 0.749 0.842 0.579 CB 1.303 20 residues pruned to eliminate duplicates Z: 20 29.612 1.989 1.032 0.933 0.947 0.842 CB 1.238 20 residues pruned to eliminate duplicates Z: 18 25.076 1.845 0.812 0.897 1.000 0.765 CB 1.303 18 residues pruned to eliminate duplicates Z: 22 26.553 1.813 0.757 0.866 1.000 0.762 CB 1.332 21 residues pruned to eliminate duplicates Z: 24 23.049 1.840 0.505 0.924 1.000 0.957 CB 1.219 24 residues pruned to eliminate duplicates Z: 24 32.492 1.913 0.772 0.922 1.000 0.913 CB 1.405 24 residues pruned to eliminate duplicates Z: 18 21.048 1.835 0.629 0.909 1.000 0.882 CB 1.212 18 residues pruned to eliminate duplicates Z: 19 18.075 1.568 0.986 0.780 0.944 0.611 CB 1.132 Z: 24 28.199 1.774 1.003 0.905 1.000 0.783 CB 1.178 24 residues pruned to eliminate duplicates Z: 13 20.450 1.841 0.697 0.866 1.000 0.833 CB 1.383 13 residues pruned to eliminate duplicates Z: 7 3.783 1.762 0.440 0.248 0.667 0.333 N 1.221 Z: 21 26.739 1.927 1.187 0.915 0.950 0.500 CB 1.055 21 residues pruned to eliminate duplicates Z: 20 19.170 1.756 0.643 0.851 0.895 0.579 CB 1.260 20 residues pruned to eliminate duplicates Z: 20 17.423 1.806 0.295 0.873 0.947 0.842 CB 1.315 20 residues pruned to eliminate duplicates Z: 9 3.029 1.616 0.692 0.425 0.625 0.375 CB 0.678 Z: 23 26.998 1.807 0.863 0.930 1.000 0.909 CB 1.196 24 residues pruned to eliminate duplicates Z: 18 19.211 1.843 0.840 0.912 1.000 0.941 CB 0.973 18 residues pruned to eliminate duplicates Z: 6 3.732 1.612 0.971 0.416 0.800 0.600 CB 0.716 Z: 20 20.672 1.752 0.463 0.932 1.000 0.895 CB 1.292 20 residues pruned to eliminate duplicates Z: 20 27.941 1.916 0.746 0.921 0.947 0.842 CB 1.423 20 residues pruned to eliminate duplicates Z: 17 22.326 1.699 0.687 0.919 1.000 0.938 O 1.372 18 residues pruned to eliminate duplicates Z: 19 24.856 1.871 0.832 0.939 1.000 1.000 CB 1.187 20 residues pruned to eliminate duplicates Z: 37 38.626 1.944 1.123 0.842 0.917 0.611 CB 1.268 39 residues pruned to eliminate duplicates Z: 24 25.932 1.819 0.769 0.894 0.913 0.739 CB 1.320 24 residues pruned to eliminate duplicates Z: 18 15.537 1.663 0.854 0.829 0.941 0.529 CB 0.977 18 residues pruned to eliminate duplicates Z: 18 24.916 1.708 0.857 0.900 1.000 0.941 CB 1.361 18 residues pruned to eliminate duplicates Z: 17 16.607 1.749 0.466 0.871 1.000 0.750 CB 1.181 17 residues pruned to eliminate duplicates Z: 24 29.846 1.857 1.080 0.895 1.000 0.783 CB 1.155 24 residues pruned to eliminate duplicates Z: 17 19.804 1.821 0.802 0.919 0.938 0.938 CB 1.134 17 residues pruned to eliminate duplicates Z: 13 15.568 1.614 0.638 0.824 0.917 0.833 CB 1.401 13 residues pruned to eliminate duplicates Z: 14 25.001 1.820 0.841 0.876 1.000 0.769 CB 1.504 14 residues pruned to eliminate duplicates Z: 20 19.344 1.808 0.498 0.881 0.947 0.895 CB 1.252 20 residues pruned to eliminate duplicates Z: 17 20.655 1.814 0.756 0.902 0.938 0.812 CB 1.233 17 residues pruned to eliminate duplicates Z: 22 20.961 1.849 0.543 0.874 0.952 0.810 CB 1.225 22 residues pruned to eliminate duplicates 6 1.415 1.678 0.356 0.269 0.600 0.400 CB 0.602 ? Z: 17 31.206 2.014 1.051 0.875 0.938 0.500 CB 1.465 17 residues pruned to eliminate duplicates Z: 15 27.410 1.876 1.084 0.914 0.929 0.857 CB 1.427 15 residues pruned to eliminate duplicates Z: 11 20.268 2.004 1.021 0.779 1.000 0.800 CB 1.237 11 residues pruned to eliminate duplicates Z: 26 20.854 1.767 1.107 0.828 0.920 0.480 CB 0.917 26 residues pruned to eliminate duplicates Z: 24 24.584 1.829 0.760 0.902 0.913 0.696 CB 1.244 24 residues pruned to eliminate duplicates Z: 12 17.391 1.888 0.713 0.853 1.000 0.727 CB 1.198 12 residues pruned to eliminate duplicates Z: 23 30.540 1.914 0.845 0.929 1.000 0.955 CB 1.290 23 residues pruned to eliminate duplicates Z: 12 16.116 1.689 0.825 0.848 1.000 0.818 CB 1.169 14 residues pruned to eliminate duplicates Z: 6 9.385 1.661 0.581 0.810 1.000 0.600 N 1.220 6 residues pruned to eliminate duplicates Z: 20 23.802 1.768 0.795 0.911 0.947 0.842 CB 1.288 20 residues pruned to eliminate duplicates Z: 22 31.937 1.924 0.930 0.909 1.000 0.857 CB 1.332 22 residues pruned to eliminate duplicates Z: 20 15.184 1.806 0.435 0.936 0.947 0.842 CB 0.988 20 residues pruned to eliminate duplicates Z: 23 22.986 1.902 0.656 0.744 0.955 0.864 CB 1.309 23 residues pruned to eliminate duplicates Z: 18 25.256 1.841 0.783 0.892 0.941 0.824 CB 1.425 18 residues pruned to eliminate duplicates Z: 17 23.858 1.754 0.754 0.878 1.000 0.875 CB 1.407 17 residues pruned to eliminate duplicates Z: 18 17.106 1.796 0.548 0.942 1.000 0.941 CB 1.035 18 residues pruned to eliminate duplicates Z: 17 23.943 1.853 0.742 0.913 1.000 0.875 CB 1.312 17 residues pruned to eliminate duplicates Z: 17 27.263 1.844 0.703 0.932 1.000 0.938 CB 1.516 17 residues pruned to eliminate duplicates Z: 9 5.614 1.510 0.977 0.350 0.750 0.375 CB 1.043 Z: 19 26.109 1.814 0.914 0.836 0.944 0.778 CB 1.405 19 residues pruned to eliminate duplicates Z: 17 16.538 1.806 0.617 0.795 0.812 0.688 CB 1.346 17 residues pruned to eliminate duplicates Z: 17 23.788 1.831 0.766 0.930 1.000 1.000 CB 1.285 17 residues pruned to eliminate duplicates Z: 15 20.145 1.779 1.123 0.864 0.857 0.643 CB 1.219 16 residues pruned to eliminate duplicates Z: 19 22.701 1.836 0.632 0.931 1.000 0.889 CB 1.248 19 residues pruned to eliminate duplicates Z: 25 25.108 1.852 0.907 0.899 0.875 0.542 CB 1.185 25 residues pruned to eliminate duplicates Z: 19 26.079 1.758 1.042 0.861 1.000 0.667 CB 1.259 18 residues pruned to eliminate duplicates Z: 18 27.056 1.731 0.951 0.943 1.000 0.882 CB 1.347 18 residues pruned to eliminate duplicates Z: 23 26.814 1.848 0.715 0.894 1.000 0.773 CB 1.294 23 residues pruned to eliminate duplicates Z: 18 22.749 1.790 0.815 0.888 0.941 0.882 CB 1.299 18 residues pruned to eliminate duplicates Z: 18 33.681 1.813 1.033 0.942 1.000 1.000 CB 1.536 18 residues pruned to eliminate duplicates Z: 18 26.724 1.714 1.032 0.876 0.941 0.588 CB 1.438 17 residues pruned to eliminate duplicates Z: 20 21.237 1.846 0.760 0.934 1.000 0.947 CB 1.045 20 residues pruned to eliminate duplicates Z: 17 21.367 1.717 0.651 0.878 1.000 0.750 CB 1.367 17 residues pruned to eliminate duplicates Z: 21 22.392 1.929 0.485 0.947 1.000 1.000 CB 1.208 21 residues pruned to eliminate duplicates Z: 19 30.226 1.888 0.813 0.907 1.000 0.889 CB 1.479 19 residues pruned to eliminate duplicates Z: 18 21.319 1.846 0.592 0.893 0.941 0.706 CB 1.343 18 residues pruned to eliminate duplicates Z: 12 14.509 1.780 0.989 0.879 0.909 0.818 CB 0.986 12 residues pruned to eliminate duplicates Z: 18 23.237 1.828 0.692 0.884 1.000 0.824 CB 1.317 18 residues pruned to eliminate duplicates Z: 19 27.816 1.806 0.833 0.901 1.000 0.889 CB 1.414 19 residues pruned to eliminate duplicates Z: 19 25.660 1.719 0.897 0.923 1.000 0.889 CB 1.304 19 residues pruned to eliminate duplicates Z: 22 25.093 1.849 0.905 0.932 0.952 0.381 CB 1.140 22 residues pruned to eliminate duplicates Z: 16 19.758 1.757 0.714 0.872 1.000 0.867 CB 1.235 16 residues pruned to eliminate duplicates Z: 23 27.067 1.884 0.643 0.920 1.000 0.909 CB 1.313 23 residues pruned to eliminate duplicates Z: 19 28.364 1.795 0.873 0.910 1.000 0.944 CB 1.411 19 residues pruned to eliminate duplicates Z: 16 22.398 1.700 0.938 0.878 0.933 0.467 CB 1.365 16 residues pruned to eliminate duplicates Z: 18 31.189 1.949 1.158 0.903 0.941 0.647 CB 1.362 19 residues pruned to eliminate duplicates Z: 21 27.398 1.776 0.920 0.899 1.000 0.850 CB 1.284 21 residues pruned to eliminate duplicates Z: 19 32.420 2.051 0.794 0.872 0.944 0.833 CB 1.603 19 residues pruned to eliminate duplicates Z: 18 26.987 1.855 0.868 0.922 1.000 0.765 CB 1.328 18 residues pruned to eliminate duplicates Z: 12 10.744 1.749 0.947 0.676 0.909 0.636 CB 0.890 12 residues pruned to eliminate duplicates Z: 23 24.785 1.901 0.736 0.899 0.955 0.818 CB 1.199 23 residues pruned to eliminate duplicates Z: 20 24.227 1.755 1.079 0.880 0.895 0.474 CB 1.233 20 residues pruned to eliminate duplicates Z: 24 25.512 1.876 0.563 0.923 0.957 0.870 CB 1.332 24 residues pruned to eliminate duplicates Z: 19 17.449 1.812 0.494 0.879 1.000 0.722 CB 1.101 19 residues pruned to eliminate duplicates Z: 13 12.270 1.696 0.603 0.779 0.750 0.333 CB 1.358 13 residues pruned to eliminate duplicates Z: 19 32.285 1.770 1.049 0.919 1.000 0.944 CB 1.478 19 residues pruned to eliminate duplicates Z: 18 18.320 1.787 0.638 0.838 0.941 0.824 CB 1.205 18 residues pruned to eliminate duplicates Z: 8 3.889 1.360 0.372 0.596 0.857 0.571 CB 0.839 Z: 18 21.789 1.844 0.961 0.932 1.000 0.882 CB 1.020 18 residues pruned to eliminate duplicates Z: 17 19.535 1.829 0.516 0.880 1.000 0.938 CB 1.276 17 residues pruned to eliminate duplicates 7 1.200 1.543 0.488 0.254 0.667 0.500 CB 0.425 ? Z: 20 26.224 1.755 0.791 0.891 1.000 0.842 CB 1.376 20 residues pruned to eliminate duplicates Z: 20 14.045 1.767 0.638 0.939 1.000 1.000 CB 0.773 20 residues pruned to eliminate duplicates Z: 19 24.478 1.994 0.864 0.936 1.000 0.889 CB 1.081 19 residues pruned to eliminate duplicates Z: 19 25.048 1.763 0.765 0.886 1.000 0.889 CB 1.369 19 residues pruned to eliminate duplicates Z: 16 21.449 1.845 0.664 0.851 0.933 0.867 CB 1.431 16 residues pruned to eliminate duplicates Z: 17 17.961 1.711 0.557 0.865 1.000 0.875 CB 1.234 19 residues pruned to eliminate duplicates Z: 19 27.618 1.843 0.715 0.918 1.000 0.833 CB 1.452 19 residues pruned to eliminate duplicates Z: 19 26.744 1.762 0.928 0.907 1.000 0.778 CB 1.319 19 residues pruned to eliminate duplicates Z: 17 24.706 1.879 0.862 0.940 1.000 0.875 CB 1.226 17 residues pruned to eliminate duplicates Z: 17 22.947 1.764 0.807 0.911 1.000 0.938 CB 1.275 17 residues pruned to eliminate duplicates Z: 13 26.924 1.963 0.978 0.892 1.000 0.833 CB 1.438 13 residues pruned to eliminate duplicates Z: 20 20.993 1.842 0.894 0.914 0.947 0.737 CB 1.031 20 residues pruned to eliminate duplicates Z: 16 15.539 1.761 0.800 0.832 0.800 0.733 CB 1.187 16 residues pruned to eliminate duplicates Z: 16 17.766 1.683 0.523 0.921 1.000 0.933 CB 1.259 16 residues pruned to eliminate duplicates Z: 8 16.889 1.561 1.241 0.855 1.000 0.714 CB 1.347 8 residues pruned to eliminate duplicates Z: 18 24.478 1.878 0.566 0.916 1.000 0.765 CB 1.425 19 residues pruned to eliminate duplicates Z: 8 2.488 1.429 0.218 0.210 0.714 0.571 CB 1.066 Z: 22 20.996 1.805 0.601 0.777 0.905 0.714 CB 1.372 21 residues pruned to eliminate duplicates Z: 22 17.960 1.813 0.426 0.718 0.905 0.714 CB 1.376 22 residues pruned to eliminate duplicates Z: 14 12.660 1.783 0.822 0.880 1.000 0.846 CB 0.783 14 residues pruned to eliminate duplicates Z: 23 27.757 1.920 0.764 0.937 1.000 1.000 CB 1.216 23 residues pruned to eliminate duplicates Z: 18 23.732 1.699 1.064 0.886 0.941 0.706 CB 1.258 17 residues pruned to eliminate duplicates Z: 13 18.197 1.797 0.675 0.781 0.917 0.667 CB 1.486 13 residues pruned to eliminate duplicates Z: 17 35.137 2.074 0.969 0.873 1.000 0.562 CB 1.568 17 residues pruned to eliminate duplicates Z: 39 26.719 1.791 0.783 0.689 0.895 0.579 CB 1.275 40 residues pruned to eliminate duplicates Z: 7 2.074 1.466 0.102 0.280 1.000 0.500 CB 0.672 Z: 9 3.149 1.461 0.755 0.417 0.750 0.375 CB 0.631 Z: 20 30.383 1.842 1.010 0.907 0.947 0.842 CB 1.412 20 residues pruned to eliminate duplicates Z: 16 16.888 1.619 0.871 0.876 0.933 0.667 CB 1.121 16 residues pruned to eliminate duplicates Z: 22 25.864 1.766 0.949 0.909 1.000 0.714 CB 1.163 22 residues pruned to eliminate duplicates Z: 16 19.360 1.691 0.667 0.898 0.933 0.867 O 1.359 17 residues pruned to eliminate duplicates Z: 18 20.845 1.698 1.022 0.860 0.882 0.471 CB 1.227 18 residues pruned to eliminate duplicates Z: 24 32.728 1.911 0.886 0.933 0.957 0.913 CB 1.382 24 residues pruned to eliminate duplicates Z: 22 27.874 1.786 1.278 0.909 0.952 0.571 CB 1.114 22 residues pruned to eliminate duplicates Z: 46 40.436 1.877 0.873 0.833 0.956 0.822 CB 1.346 47 residues pruned to eliminate duplicates Z: 19 22.090 1.688 0.949 0.902 1.000 0.722 CB 1.129 19 residues pruned to eliminate duplicates Z: 28 24.143 1.772 0.824 0.773 0.926 0.815 CB 1.220 28 residues pruned to eliminate duplicates Z: 22 28.573 1.944 0.800 0.925 1.000 0.810 CB 1.250 22 residues pruned to eliminate duplicates Z: 17 22.969 1.745 0.764 0.914 1.000 0.938 CB 1.319 17 residues pruned to eliminate duplicates Z: 13 8.193 1.515 0.388 0.533 0.917 0.667 CB 1.188 13 residues pruned to eliminate duplicates Z: 20 28.973 1.750 1.017 0.909 1.000 0.895 CB 1.337 20 residues pruned to eliminate duplicates Z: 19 18.170 1.695 0.874 0.825 0.944 0.833 CB 1.078 19 residues pruned to eliminate duplicates Z: 20 19.368 1.802 0.562 0.880 1.000 0.842 CB 1.144 20 residues pruned to eliminate duplicates Z: 21 32.033 1.969 1.078 0.882 0.950 0.800 CB 1.333 21 residues pruned to eliminate duplicates Z: 18 27.165 1.857 0.879 0.930 1.000 0.765 CB 1.321 18 residues pruned to eliminate duplicates Z: 19 20.113 1.721 0.835 0.868 0.889 0.667 CB 1.234 19 residues pruned to eliminate duplicates Z: 30 32.556 1.959 1.099 0.711 0.897 0.448 CB 1.354 30 residues pruned to eliminate duplicates Z: 19 17.863 1.817 0.860 0.798 0.889 0.556 CB 1.079 19 residues pruned to eliminate duplicates Z: 22 26.033 1.865 0.827 0.933 1.000 0.952 CB 1.164 22 residues pruned to eliminate duplicates Z: 19 22.308 1.682 0.750 0.912 1.000 0.944 CB 1.264 17 residues pruned to eliminate duplicates Z: 16 13.170 1.634 0.588 0.910 1.000 0.867 CB 0.930 15 residues pruned to eliminate duplicates Z: 11 10.209 1.570 0.435 0.916 1.000 0.900 CB 1.011 10 residues pruned to eliminate duplicates Z: 8 3.030 1.661 0.452 0.299 0.857 0.857 CB 0.694 Z: 19 24.892 1.776 1.004 0.921 1.000 0.944 CB 1.161 19 residues pruned to eliminate duplicates Z: 14 11.460 1.656 0.398 0.834 0.923 0.692 CB 1.115 14 residues pruned to eliminate duplicates Z: 6 2.442 1.272 0.276 0.579 1.000 0.800 CB 0.623 Z: 17 17.905 1.882 0.898 0.829 0.750 0.500 CB 1.257 17 residues pruned to eliminate duplicates Z: 12 16.940 1.763 0.962 0.920 1.000 1.000 CB 1.040 12 residues pruned to eliminate duplicates Z: 24 15.739 1.733 0.607 0.560 0.913 0.652 CB 1.218 24 residues pruned to eliminate duplicates Z: 10 6.890 1.642 1.022 0.532 0.889 0.556 CB 0.754 Z: 15 19.091 1.703 0.775 0.902 1.000 0.857 CB 1.204 15 residues pruned to eliminate duplicates Z: 19 20.466 1.833 0.636 0.886 1.000 0.889 CB 1.161 19 residues pruned to eliminate duplicates Z: 16 22.775 1.732 0.743 0.858 1.000 0.600 CB 1.434 16 residues pruned to eliminate duplicates Z: 12 9.115 1.579 1.027 0.761 0.727 0.545 CB 0.937 12 residues pruned to eliminate duplicates Z: 23 31.167 1.887 0.777 0.923 1.000 0.955 CB 1.393 23 residues pruned to eliminate duplicates Z: 17 13.936 1.810 0.977 0.899 0.938 0.812 CB 0.742 17 residues pruned to eliminate duplicates Z: 20 21.587 1.813 1.002 0.907 1.000 0.842 CB 0.970 19 residues pruned to eliminate duplicates Z: 24 23.474 1.785 0.980 0.875 0.957 0.522 CB 1.053 24 residues pruned to eliminate duplicates Z: 19 30.868 1.804 1.118 0.934 1.000 0.611 CB 1.328 19 residues pruned to eliminate duplicates Z: 29 17.967 1.727 0.503 0.581 0.893 0.571 CB 1.356 29 residues pruned to eliminate duplicates Z: 12 15.008 1.665 0.762 0.822 0.909 0.818 CB 1.284 12 residues pruned to eliminate duplicates Z: 10 11.322 1.820 0.962 0.911 1.000 1.000 CB 0.749 10 residues pruned to eliminate duplicates Z: 20 23.898 1.726 0.839 0.897 0.947 0.789 CB 1.305 20 residues pruned to eliminate duplicates 6 -2.114 1.500 0.699 0.879 1.000 0.800 CB-0.269 ? Z: 24 27.958 1.870 0.656 0.886 1.000 0.783 CB 1.358 24 residues pruned to eliminate duplicates Z: 23 24.721 1.941 0.688 0.917 0.955 0.909 CB 1.189 23 residues pruned to eliminate duplicates Z: 20 19.481 1.933 0.749 0.935 1.000 0.947 CB 0.921 20 residues pruned to eliminate duplicates Z: 18 18.353 1.656 0.966 0.810 0.824 0.588 CB 1.267 18 residues pruned to eliminate duplicates Z: 8 9.315 1.723 0.689 0.818 0.857 0.714 CB 1.071 8 residues pruned to eliminate duplicates Z: 12 14.543 1.704 0.985 0.871 0.909 0.545 CB 1.040 12 residues pruned to eliminate duplicates Z: 19 23.716 1.709 0.931 0.873 0.944 0.667 CB 1.307 19 residues pruned to eliminate duplicates Z: 19 26.617 1.790 0.756 0.915 1.000 0.778 CB 1.411 19 residues pruned to eliminate duplicates Z: 21 19.868 1.873 0.544 0.793 0.950 0.850 CB 1.251 21 residues pruned to eliminate duplicates Z: 7 10.370 1.672 1.003 0.544 1.000 1.000 CB 1.210 5 residues pruned to eliminate duplicates Z: 23 31.359 1.843 0.734 0.929 1.000 0.909 CB 1.463 23 residues pruned to eliminate duplicates Z: 17 21.881 1.878 0.995 0.897 1.000 0.938 CB 1.045 17 residues pruned to eliminate duplicates Z: 7 3.957 1.776 0.489 0.409 0.833 0.500 CB 0.807 Z: 18 15.975 1.908 0.819 0.718 0.941 0.882 CB 0.974 18 residues pruned to eliminate duplicates Z: 19 23.288 1.849 0.771 0.832 0.944 0.556 CB 1.331 19 residues pruned to eliminate duplicates Z: 18 31.543 1.968 0.896 0.934 1.000 0.882 CB 1.430 18 residues pruned to eliminate duplicates Z: 7 4.667 1.571 0.413 0.249 0.833 0.333 CB 1.374 Z: 7 2.296 1.463 0.700 0.250 0.500 0.333 CB 1.005 Z: 21 29.891 1.780 1.141 0.928 0.950 0.800 CB 1.292 21 residues pruned to eliminate duplicates Z: 40 29.241 1.869 0.533 0.777 0.949 0.846 CB 1.349 37 residues pruned to eliminate duplicates Z: 23 22.572 1.882 0.534 0.949 1.000 0.955 CB 1.151 23 residues pruned to eliminate duplicates Z: 17 13.064 1.754 0.809 0.731 0.875 0.750 CB 0.956 17 residues pruned to eliminate duplicates Z: 20 28.558 1.800 1.092 0.929 0.947 0.684 CB 1.285 20 residues pruned to eliminate duplicates Z: 18 10.440 1.511 0.913 0.824 0.824 0.588 CB 0.803 18 residues pruned to eliminate duplicates Z: 22 27.373 1.859 0.729 0.926 1.000 0.762 CB 1.303 22 residues pruned to eliminate duplicates Z: 17 16.034 1.680 0.533 0.889 1.000 0.875 CB 1.120 17 residues pruned to eliminate duplicates Z: 19 26.066 1.804 0.851 0.900 1.000 0.889 CB 1.314 18 residues pruned to eliminate duplicates Z: 6 4.211 1.582 0.307 0.431 0.800 0.400 CB 1.222 Z: 15 17.233 1.863 0.693 0.919 0.929 0.857 CB 1.108 15 residues pruned to eliminate duplicates Z: 16 23.325 1.765 0.740 0.906 1.000 0.867 CB 1.395 14 residues pruned to eliminate duplicates Z: 17 25.261 1.776 0.921 0.920 1.000 0.875 CB 1.304 17 residues pruned to eliminate duplicates Z: 14 8.853 1.763 0.567 0.800 0.846 0.769 CB 0.808 14 residues pruned to eliminate duplicates Z: 19 25.132 1.784 0.933 0.896 0.944 0.556 CB 1.303 19 residues pruned to eliminate duplicates Z: 18 19.487 1.884 0.756 0.937 1.000 0.882 CB 0.994 18 residues pruned to eliminate duplicates Z: 20 24.793 1.874 0.917 0.931 0.947 0.947 CB 1.168 20 residues pruned to eliminate duplicates Z: 10 3.445 1.329 0.323 0.380 0.889 0.667 C 0.835 Z: 9 16.538 1.884 0.555 0.751 1.000 1.000 CB 1.595 9 residues pruned to eliminate duplicates Z: 13 15.789 1.721 0.492 0.745 0.917 0.833 O 1.555 13 residues pruned to eliminate duplicates Z: 6 2.339 1.433 0.419 0.294 0.600 0.400 CB 1.080 Z: 18 27.156 1.869 0.699 0.913 1.000 0.882 CB 1.467 18 residues pruned to eliminate duplicates Z: 10 11.219 1.730 0.538 0.874 1.000 0.778 CB 1.023 10 residues pruned to eliminate duplicates Z: 19 15.895 1.648 0.666 0.889 1.000 0.833 CB 0.982 18 residues pruned to eliminate duplicates Z: 8 3.430 1.625 0.621 0.534 0.857 0.714 CB 0.555 Z: 17 25.873 1.867 0.645 0.902 1.000 0.875 CB 1.503 17 residues pruned to eliminate duplicates Z: 22 28.306 1.884 0.877 0.924 0.905 0.762 CB 1.356 22 residues pruned to eliminate duplicates Z: 17 22.757 1.953 0.677 0.873 1.000 0.750 CB 1.265 17 residues pruned to eliminate duplicates Z: 8 2.676 1.654 -0.283 0.490 1.000 0.857 CB 0.862 8 residues pruned to eliminate duplicates Z: 21 16.571 1.548 0.809 0.817 0.950 0.750 CB 1.057 21 residues pruned to eliminate duplicates Z: 22 23.765 1.928 0.598 0.916 0.952 0.857 CB 1.248 22 residues pruned to eliminate duplicates Z: 19 20.830 1.709 0.556 0.914 0.944 0.889 CB 1.383 19 residues pruned to eliminate duplicates Z: 19 18.932 1.804 1.015 0.944 1.000 0.944 CB 0.850 19 residues pruned to eliminate duplicates Z: 34 19.422 1.674 0.563 0.642 0.848 0.667 CB 1.334 36 residues pruned to eliminate duplicates Z: 20 18.077 1.892 0.677 0.900 1.000 0.947 CB 0.933 20 residues pruned to eliminate duplicates Z: 20 21.256 1.813 0.559 0.877 0.947 0.895 CB 1.323 19 residues pruned to eliminate duplicates Z: 19 26.485 1.875 0.603 0.918 1.000 0.944 CB 1.464 19 residues pruned to eliminate duplicates Z: 19 21.751 1.769 0.781 0.874 0.944 0.833 CB 1.254 20 residues pruned to eliminate duplicates Z: 19 19.606 1.791 0.558 0.910 1.000 0.778 CB 1.175 19 residues pruned to eliminate duplicates Z: 14 14.987 1.828 0.542 0.819 0.923 0.846 CB 1.211 14 residues pruned to eliminate duplicates Z: 22 23.627 1.887 0.858 0.939 1.000 0.905 CB 1.022 22 residues pruned to eliminate duplicates Z: 7 3.351 1.477 0.048 0.543 0.833 0.500 N 1.016 Z: 17 15.346 1.797 0.851 0.901 1.000 0.812 CB 0.824 17 residues pruned to eliminate duplicates Z: 40 26.328 1.809 0.907 0.791 0.846 0.256 CB 1.119 39 residues pruned to eliminate duplicates Z: 15 18.983 1.848 0.629 0.892 0.929 0.786 CB 1.304 15 residues pruned to eliminate duplicates Z: 19 31.229 1.885 0.955 0.943 1.000 0.833 CB 1.384 19 residues pruned to eliminate duplicates Z: 20 26.142 1.738 0.915 0.849 0.947 0.789 CB 1.410 20 residues pruned to eliminate duplicates Z: 8 2.215 1.246 0.394 0.334 0.714 0.571 N 0.810 Z: 24 22.996 1.841 0.566 0.940 0.957 0.957 CB 1.208 24 residues pruned to eliminate duplicates Z: 6 2.374 1.610 0.940 0.169 0.600 0.200 CB 0.847 Z: 17 11.966 1.818 0.439 0.823 0.875 0.812 CB 0.988 17 residues pruned to eliminate duplicates Z: 16 22.294 1.832 0.826 0.861 0.867 0.600 CB 1.459 16 residues pruned to eliminate duplicates Z: 24 25.945 1.797 0.742 0.898 1.000 0.870 CB 1.236 24 residues pruned to eliminate duplicates Z: 12 9.973 1.625 0.380 0.912 1.000 1.000 CB 0.949 11 residues pruned to eliminate duplicates Z: 18 17.909 1.802 0.492 0.898 1.000 0.824 CB 1.156 18 residues pruned to eliminate duplicates Z: 16 15.146 1.691 1.004 0.791 0.800 0.533 CB 1.118 16 residues pruned to eliminate duplicates Z: 6 4.051 1.456 0.808 0.467 0.800 0.600 CB 0.890 Z: 6 2.133 1.500 0.859 0.758 0.800 0.400 CB 0.340 Z: 19 11.751 1.718 0.647 0.563 0.778 0.444 CB 1.184 19 residues pruned to eliminate duplicates Z: 20 19.811 1.778 0.801 0.937 1.000 0.895 CB 0.987 20 residues pruned to eliminate duplicates Z: 8 11.389 1.760 0.318 0.851 1.000 0.857 CB 1.373 8 residues pruned to eliminate duplicates Z: 19 24.344 1.934 0.687 0.877 1.000 0.889 CB 1.277 19 residues pruned to eliminate duplicates Z: 10 8.420 1.601 0.341 0.598 0.889 0.556 CB 1.339 10 residues pruned to eliminate duplicates Z: 15 16.571 1.978 0.529 0.898 1.000 0.929 CB 1.048 15 residues pruned to eliminate duplicates Z: 22 17.545 1.645 1.202 0.865 0.952 0.619 CB 0.813 22 residues pruned to eliminate duplicates Z: 15 17.819 1.789 0.646 0.856 0.929 0.714 CB 1.284 15 residues pruned to eliminate duplicates Z: 42 35.695 1.865 0.981 0.802 0.902 0.659 CB 1.285 41 residues pruned to eliminate duplicates Z: 10 3.532 1.369 0.454 0.299 0.778 0.444 CB 0.952 Z: 7 2.947 1.439 0.178 0.467 0.667 0.167 O 1.100 830 residues left after pruning, divided into chains as follows: A: 38 B: 18 C: 22 D: 21 E: 18 F: 25 G: 20 H: 38 I: 23 J: 18 K: 19 L: 13 M: 23 N: 21 O: 21 P: 17 Q: 22 R: 41 S: 19 T: 21 U: 21 V: 21 W: 18 X: 38 Y: 20 Z: 38 Z: 40 Z: 42 Z: 19 Z: 16 Z: 21 Z: 43 Z: 35 CC for partial structure against native data = 43.16 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.637, Connect. = 0.720 for dens.mod. cycle 1 = 0.300, Contrast = 0.730, Connect. = 0.751 for dens.mod. cycle 2 = 0.300, Contrast = 0.875, Connect. = 0.774 for dens.mod. cycle 3 = 0.300, Contrast = 0.894, Connect. = 0.775 for dens.mod. cycle 4 = 0.300, Contrast = 0.906, Connect. = 0.775 for dens.mod. cycle 5 = 0.300, Contrast = 0.908, Connect. = 0.775 for dens.mod. cycle 6 = 0.300, Contrast = 0.909, Connect. = 0.776 for dens.mod. cycle 7 = 0.300, Contrast = 0.907, Connect. = 0.776 for dens.mod. cycle 8 = 0.300, Contrast = 0.906, Connect. = 0.777 for dens.mod. cycle 9 = 0.300, Contrast = 0.903, Connect. = 0.777 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2794 peaks > 0.5 sigma used to seed fragment search Space for about 1576 unique residues taking solvent into account 690 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 24.931 1.954 0.516 0.894 1.000 0.800 CB 1.349 B: 19 24.675 2.053 0.795 0.947 1.000 0.944 CB 1.091 C: 20 24.610 1.918 0.753 0.920 0.947 0.789 CB 1.248 D: 19 35.289 2.040 0.900 0.879 1.000 0.611 CB 1.556 E: 24 28.133 1.846 0.998 0.858 0.957 0.696 CB 1.225 F: 19 22.890 2.025 0.799 0.947 1.000 0.833 CB 1.023 19 residues pruned to eliminate duplicates G: 20 21.101 1.983 0.928 0.924 0.947 0.947 CB 0.939 H: 24 24.506 1.856 0.905 0.894 0.913 0.696 CB 1.135 24 residues pruned to eliminate duplicates I: 20 26.521 2.073 1.074 0.924 1.000 0.895 CB 0.994 20 residues pruned to eliminate duplicates J: 19 14.341 1.964 1.008 0.892 0.944 0.722 CB 0.652 K: 21 18.775 1.851 0.340 0.875 1.000 0.850 CB 1.230 L: 21 29.501 2.032 1.001 0.933 1.000 0.700 CB 1.132 M: 21 22.835 1.856 0.710 0.911 1.000 0.750 CB 1.141 21 residues pruned to eliminate duplicates N: 17 31.718 2.027 0.807 0.862 0.938 0.875 O 1.694 O: 16 20.150 1.892 0.416 0.937 1.000 1.000 CB 1.351 P: 20 26.580 2.046 0.765 0.928 0.947 0.579 CB 1.248 Q: 23 21.451 1.882 0.717 0.870 0.818 0.636 CB 1.263 23 residues pruned to eliminate duplicates R: 18 30.489 2.053 0.981 0.924 1.000 0.765 CB 1.276 17 residues pruned to eliminate duplicates S: 20 32.937 1.999 1.068 0.910 1.000 0.526 CB 1.296 T: 18 32.400 2.075 0.836 0.894 1.000 0.706 CB 1.479 18 residues pruned to eliminate duplicates U: 21 30.668 2.019 0.798 0.935 0.950 0.900 CB 1.385 21 residues pruned to eliminate duplicates V: 23 25.808 1.891 0.769 0.855 0.955 0.773 CB 1.272 23 residues pruned to eliminate duplicates W: 23 29.273 1.951 0.591 0.890 1.000 0.773 CB 1.447 21 residues pruned to eliminate duplicates X: 17 18.089 2.047 0.542 0.942 1.000 1.000 CB 0.994 17 residues pruned to eliminate duplicates Y: 20 24.421 2.025 0.558 0.897 0.947 0.737 CB 1.341 20 residues pruned to eliminate duplicates Z: 18 26.646 2.029 1.050 0.914 0.941 0.647 CB 1.167 18 residues pruned to eliminate duplicates Z: 19 27.677 2.029 0.883 0.936 0.944 0.833 CB 1.259 Z: 22 25.507 2.008 0.492 0.919 1.000 0.952 CB 1.309 19 residues pruned to eliminate duplicates Z: 22 27.240 1.929 1.074 0.919 1.000 0.810 CB 1.047 20 residues pruned to eliminate duplicates Z: 25 28.132 1.973 0.683 0.921 1.000 0.917 CB 1.217 24 residues pruned to eliminate duplicates Z: 19 21.779 2.052 0.871 0.932 0.944 0.722 CB 0.989 19 residues pruned to eliminate duplicates Z: 19 15.076 2.004 0.901 0.923 1.000 0.889 CB 0.656 19 residues pruned to eliminate duplicates Z: 17 29.161 2.082 0.735 0.903 1.000 0.938 CB 1.439 Z: 19 23.435 1.874 0.452 0.903 1.000 0.889 CB 1.447 Z: 17 26.962 1.963 0.594 0.905 1.000 1.000 CB 1.533 Z: 21 19.405 1.882 0.339 0.905 0.950 0.900 CB 1.290 21 residues pruned to eliminate duplicates Z: 20 24.951 1.765 0.753 0.811 1.000 0.789 CB 1.411 20 residues pruned to eliminate duplicates Z: 19 26.299 1.999 0.700 0.886 1.000 0.833 CB 1.316 19 residues pruned to eliminate duplicates Z: 22 26.734 2.006 0.797 0.942 1.000 0.857 CB 1.122 20 residues pruned to eliminate duplicates Z: 19 27.779 2.023 0.971 0.935 0.944 0.667 CB 1.212 19 residues pruned to eliminate duplicates Z: 22 23.551 1.848 0.671 0.871 0.952 0.905 CB 1.275 21 residues pruned to eliminate duplicates Z: 19 26.022 2.004 0.881 0.916 0.944 0.778 CB 1.217 19 residues pruned to eliminate duplicates Z: 17 25.733 1.967 0.804 0.886 1.000 0.812 CB 1.308 17 residues pruned to eliminate duplicates Z: 23 30.680 1.914 0.958 0.895 0.955 0.727 CB 1.311 25 residues pruned to eliminate duplicates Z: 22 32.965 1.938 1.009 0.901 1.000 0.762 CB 1.319 Z: 18 29.829 1.899 0.796 0.880 1.000 0.824 CB 1.538 18 residues pruned to eliminate duplicates Z: 23 31.636 1.903 1.031 0.931 0.955 0.818 CB 1.278 22 residues pruned to eliminate duplicates Z: 20 29.199 1.968 0.737 0.895 1.000 0.895 CB 1.405 20 residues pruned to eliminate duplicates Z: 20 27.575 1.986 0.645 0.923 1.000 0.895 CB 1.361 22 residues pruned to eliminate duplicates Z: 40 28.897 1.868 0.886 0.790 0.821 0.487 CB 1.241 17 residues pruned to eliminate duplicates Z: 19 26.226 1.843 0.926 0.855 1.000 0.778 CB 1.285 Z: 22 26.522 1.981 0.793 0.884 1.000 0.857 CB 1.178 22 residues pruned to eliminate duplicates Z: 17 16.309 1.768 0.554 0.893 1.000 0.875 CB 1.066 Z: 17 28.157 2.135 0.572 0.913 1.000 0.875 CB 1.484 17 residues pruned to eliminate duplicates Z: 18 19.811 1.928 0.360 0.867 0.941 0.824 CB 1.424 18 residues pruned to eliminate duplicates Z: 14 20.412 2.062 1.103 0.855 0.923 0.923 CB 1.044 14 residues pruned to eliminate duplicates Z: 20 29.825 1.997 0.835 0.915 1.000 0.684 CB 1.320 19 residues pruned to eliminate duplicates Z: 24 28.789 1.868 0.872 0.895 1.000 0.783 CB 1.231 24 residues pruned to eliminate duplicates Z: 23 28.346 1.933 0.756 0.941 1.000 0.864 CB 1.235 24 residues pruned to eliminate duplicates Z: 13 13.654 2.015 0.303 0.916 1.000 1.000 CB 1.060 13 residues pruned to eliminate duplicates Z: 15 21.510 1.817 0.635 0.911 1.000 0.929 CB 1.371 Z: 23 22.264 1.935 0.441 0.927 1.000 0.955 CB 1.193 23 residues pruned to eliminate duplicates Z: 14 20.205 1.971 0.428 0.915 1.000 1.000 CB 1.408 Z: 17 16.393 1.916 0.298 0.894 1.000 0.688 CB 1.182 16 residues pruned to eliminate duplicates Z: 20 25.680 2.024 0.460 0.920 0.947 0.842 CB 1.481 20 residues pruned to eliminate duplicates Z: 15 20.851 1.859 0.745 0.880 1.000 0.857 CB 1.245 Z: 22 30.242 1.935 0.930 0.899 0.952 0.810 CB 1.326 21 residues pruned to eliminate duplicates Z: 23 18.617 1.789 0.896 0.810 0.818 0.591 CB 1.093 23 residues pruned to eliminate duplicates Z: 16 15.659 1.784 0.423 0.883 1.000 0.867 CB 1.151 16 residues pruned to eliminate duplicates Z: 21 18.577 1.806 0.578 0.874 1.000 0.700 CB 1.061 21 residues pruned to eliminate duplicates Z: 22 27.240 1.932 0.619 0.914 1.000 0.905 CB 1.344 22 residues pruned to eliminate duplicates Z: 24 32.977 1.995 0.964 0.932 1.000 0.783 CB 1.226 25 residues pruned to eliminate duplicates Z: 20 23.709 2.008 0.451 0.918 0.947 0.789 CB 1.389 20 residues pruned to eliminate duplicates Z: 16 17.516 1.856 0.402 0.916 1.000 0.933 CB 1.228 16 residues pruned to eliminate duplicates Z: 19 19.756 1.931 0.607 0.831 0.944 0.667 CB 1.193 19 residues pruned to eliminate duplicates Z: 21 26.721 1.957 0.616 0.941 1.000 0.900 CB 1.311 21 residues pruned to eliminate duplicates Z: 21 16.452 1.795 0.403 0.911 1.000 0.850 CB 1.035 Z: 19 25.611 2.043 0.516 0.911 1.000 0.944 CB 1.381 18 residues pruned to eliminate duplicates Z: 18 27.082 2.078 0.607 0.885 0.941 0.882 CB 1.509 18 residues pruned to eliminate duplicates Z: 15 18.702 1.832 0.419 0.881 1.000 0.714 CB 1.393 15 residues pruned to eliminate duplicates Z: 9 6.356 1.892 0.540 0.287 0.750 0.625 CB 1.306 Z: 21 21.186 1.809 0.824 0.892 1.000 0.950 CB 1.031 21 residues pruned to eliminate duplicates Z: 20 28.346 2.029 0.643 0.929 1.000 0.947 CB 1.365 20 residues pruned to eliminate duplicates Z: 20 18.459 1.866 0.725 0.910 0.947 0.842 CB 0.985 20 residues pruned to eliminate duplicates Z: 18 24.248 1.994 0.726 0.849 1.000 0.588 CB 1.267 19 residues pruned to eliminate duplicates Z: 18 18.535 1.774 0.641 0.925 1.000 1.000 CB 1.083 Z: 19 25.610 1.887 0.694 0.879 0.944 0.778 CB 1.451 19 residues pruned to eliminate duplicates Z: 25 27.321 1.956 0.831 0.892 1.000 0.833 CB 1.119 24 residues pruned to eliminate duplicates Z: 19 29.064 1.972 0.783 0.908 1.000 0.889 CB 1.384 17 residues pruned to eliminate duplicates Z: 23 23.605 1.918 0.725 0.911 0.955 0.909 CB 1.129 23 residues pruned to eliminate duplicates Z: 21 24.778 1.906 0.695 0.820 0.900 0.700 CB 1.444 19 residues pruned to eliminate duplicates Z: 25 31.781 1.990 0.750 0.903 1.000 0.875 CB 1.328 25 residues pruned to eliminate duplicates Z: 21 21.937 1.985 0.661 0.911 0.900 0.700 CB 1.172 21 residues pruned to eliminate duplicates Z: 22 27.639 1.927 0.672 0.903 1.000 0.810 CB 1.335 22 residues pruned to eliminate duplicates Z: 20 24.693 1.938 0.575 0.928 1.000 0.947 CB 1.299 20 residues pruned to eliminate duplicates Z: 16 24.145 1.973 0.458 0.924 1.000 0.867 CB 1.522 16 residues pruned to eliminate duplicates Z: 22 30.363 1.980 0.772 0.896 1.000 0.810 CB 1.353 22 residues pruned to eliminate duplicates Z: 19 21.873 1.985 0.815 0.900 0.944 0.667 CB 1.083 19 residues pruned to eliminate duplicates Z: 21 27.687 2.029 0.781 0.889 0.900 0.850 CB 1.370 21 residues pruned to eliminate duplicates Z: 21 28.600 1.967 0.662 0.928 0.950 0.700 CB 1.441 21 residues pruned to eliminate duplicates Z: 18 24.808 1.933 0.585 0.931 1.000 0.941 CB 1.372 18 residues pruned to eliminate duplicates Z: 17 15.705 1.772 0.402 0.904 1.000 0.812 CB 1.125 Z: 21 26.088 1.967 0.567 0.911 0.950 0.850 CB 1.412 21 residues pruned to eliminate duplicates Z: 15 25.119 1.990 0.454 0.940 1.000 1.000 CB 1.611 15 residues pruned to eliminate duplicates Z: 19 25.154 2.007 0.658 0.887 1.000 0.722 CB 1.284 19 residues pruned to eliminate duplicates Z: 21 28.324 1.949 0.946 0.935 0.900 0.700 CB 1.293 21 residues pruned to eliminate duplicates Z: 20 10.765 1.664 0.590 0.510 0.789 0.526 CB 1.170 Z: 21 26.122 1.967 0.451 0.890 1.000 0.750 CB 1.473 21 residues pruned to eliminate duplicates Z: 20 28.137 2.018 0.632 0.890 1.000 0.842 CB 1.410 20 residues pruned to eliminate duplicates Z: 15 31.065 2.097 0.897 0.915 1.000 0.929 CB 1.474 15 residues pruned to eliminate duplicates Z: 22 26.853 2.038 0.747 0.929 0.952 0.905 CB 1.209 22 residues pruned to eliminate duplicates Z: 16 15.955 1.920 0.361 0.856 0.867 0.667 CB 1.341 16 residues pruned to eliminate duplicates Z: 19 25.920 1.835 0.782 0.840 1.000 0.667 CB 1.395 Z: 14 16.539 1.898 0.359 0.797 0.923 0.615 CB 1.486 14 residues pruned to eliminate duplicates Z: 19 23.223 1.866 0.674 0.921 1.000 0.778 CB 1.234 20 residues pruned to eliminate duplicates Z: 17 28.770 1.933 0.803 0.908 1.000 0.812 CB 1.465 Z: 12 21.968 1.997 0.654 0.862 1.000 0.909 CB 1.473 12 residues pruned to eliminate duplicates Z: 17 21.623 1.918 0.588 0.912 1.000 0.750 CB 1.257 Z: 21 21.100 1.969 0.514 0.928 1.000 0.800 CB 1.108 21 residues pruned to eliminate duplicates Z: 19 19.519 1.875 0.918 0.924 1.000 0.667 CB 0.899 Z: 21 18.525 1.781 0.567 0.828 1.000 0.550 CB 1.118 21 residues pruned to eliminate duplicates Z: 15 15.188 1.713 0.615 0.874 0.929 0.857 CB 1.150 Z: 18 24.022 1.844 0.544 0.872 1.000 0.882 CB 1.491 18 residues pruned to eliminate duplicates Z: 20 18.681 1.906 0.559 0.934 1.000 0.842 CB 1.006 20 residues pruned to eliminate duplicates Z: 19 23.744 1.826 0.662 0.896 1.000 0.833 CB 1.321 19 residues pruned to eliminate duplicates Z: 15 17.254 1.794 0.356 0.900 1.000 0.857 CB 1.353 15 residues pruned to eliminate duplicates Z: 22 26.336 1.955 0.634 0.886 1.000 0.714 CB 1.298 22 residues pruned to eliminate duplicates Z: 18 25.735 1.848 0.938 0.846 0.941 0.765 CB 1.376 18 residues pruned to eliminate duplicates Z: 20 23.725 1.993 1.063 0.930 1.000 0.737 CB 0.925 20 residues pruned to eliminate duplicates Z: 18 17.509 1.782 0.636 0.908 1.000 0.941 CB 1.035 19 residues pruned to eliminate duplicates Z: 16 31.733 1.960 0.971 0.886 1.000 0.733 CB 1.530 17 residues pruned to eliminate duplicates Z: 15 17.787 1.891 0.449 0.893 1.000 0.786 CB 1.246 15 residues pruned to eliminate duplicates Z: 23 22.150 1.847 0.748 0.906 1.000 0.500 CB 1.040 Z: 16 14.396 1.697 0.454 0.914 1.000 0.867 CB 1.065 Z: 16 27.698 1.947 0.959 0.837 0.933 0.667 CB 1.502 16 residues pruned to eliminate duplicates Z: 19 14.751 1.869 0.164 0.818 0.944 0.833 CB 1.285 Z: 20 24.978 1.991 0.969 0.926 1.000 0.895 CB 1.025 20 residues pruned to eliminate duplicates Z: 18 26.334 2.078 0.529 0.913 1.000 1.000 CB 1.423 18 residues pruned to eliminate duplicates Z: 20 26.314 1.780 0.845 0.872 1.000 0.632 CB 1.340 19 residues pruned to eliminate duplicates Z: 14 15.018 1.878 0.804 0.919 1.000 0.846 CB 0.866 Z: 39 39.389 1.938 0.803 0.862 0.947 0.789 CB 1.417 42 residues pruned to eliminate duplicates Z: 21 24.706 1.987 0.904 0.889 0.900 0.800 CB 1.168 21 residues pruned to eliminate duplicates Z: 16 25.021 2.049 0.572 0.927 1.000 0.800 CB 1.406 16 residues pruned to eliminate duplicates Z: 25 27.229 1.966 0.632 0.859 0.958 0.792 CB 1.331 25 residues pruned to eliminate duplicates Z: 22 20.734 1.796 0.827 0.905 0.952 0.857 CB 1.030 21 residues pruned to eliminate duplicates Z: 19 17.684 1.919 0.447 0.846 0.944 0.722 CB 1.181 18 residues pruned to eliminate duplicates Z: 14 17.153 1.713 0.502 0.872 0.923 0.846 CB 1.460 13 residues pruned to eliminate duplicates Z: 15 20.111 1.816 0.663 0.899 1.000 0.857 CB 1.272 15 residues pruned to eliminate duplicates Z: 21 19.229 1.698 0.727 0.884 0.950 0.850 CB 1.116 19 residues pruned to eliminate duplicates Z: 22 25.426 1.993 0.723 0.935 0.952 0.857 CB 1.183 22 residues pruned to eliminate duplicates Z: 16 17.394 1.749 0.910 0.832 0.867 0.733 CB 1.165 16 residues pruned to eliminate duplicates Z: 22 30.393 1.978 0.735 0.915 1.000 0.810 CB 1.366 22 residues pruned to eliminate duplicates Z: 25 26.778 1.873 0.753 0.927 0.958 0.917 CB 1.217 25 residues pruned to eliminate duplicates Z: 11 16.423 1.804 0.696 0.857 1.000 0.900 CB 1.251 11 residues pruned to eliminate duplicates Z: 11 12.237 1.819 0.234 0.894 0.900 0.900 CB 1.374 11 residues pruned to eliminate duplicates Z: 19 33.200 2.010 0.924 0.925 1.000 0.833 CB 1.420 19 residues pruned to eliminate duplicates Z: 6 4.037 2.062 0.153 0.863 1.000 1.000 CB 0.557 Z: 24 27.542 1.899 0.686 0.939 0.957 0.913 CB 1.303 24 residues pruned to eliminate duplicates Z: 13 21.421 1.886 0.833 0.921 1.000 0.750 CB 1.259 13 residues pruned to eliminate duplicates Z: 20 16.373 1.870 0.496 0.923 0.947 0.895 CB 0.996 20 residues pruned to eliminate duplicates Z: 15 18.175 1.950 0.584 0.883 0.857 0.786 CB 1.327 15 residues pruned to eliminate duplicates Z: 21 30.622 1.933 0.890 0.936 1.000 0.500 CB 1.306 21 residues pruned to eliminate duplicates Z: 21 24.282 1.893 0.808 0.935 0.950 0.850 CB 1.164 21 residues pruned to eliminate duplicates Z: 15 24.953 2.099 1.054 0.874 0.857 0.714 CB 1.314 15 residues pruned to eliminate duplicates Z: 16 18.304 1.931 0.505 0.897 0.933 0.600 CB 1.247 14 residues pruned to eliminate duplicates Z: 17 14.763 1.866 0.358 0.913 1.000 0.812 CB 1.031 17 residues pruned to eliminate duplicates Z: 20 17.923 1.950 1.443 0.898 0.947 0.632 CB 0.651 19 residues pruned to eliminate duplicates Z: 17 15.463 1.695 0.769 0.852 0.875 0.750 CB 1.089 17 residues pruned to eliminate duplicates Z: 18 24.785 1.894 0.974 0.838 0.941 0.824 CB 1.276 18 residues pruned to eliminate duplicates Z: 25 31.276 1.959 0.782 0.914 1.000 0.875 CB 1.294 25 residues pruned to eliminate duplicates Z: 23 23.567 1.790 0.960 0.911 1.000 0.773 CB 1.015 19 residues pruned to eliminate duplicates Z: 18 26.906 1.910 0.785 0.912 1.000 0.706 CB 1.355 18 residues pruned to eliminate duplicates Z: 19 24.835 2.044 0.496 0.901 1.000 0.944 CB 1.366 19 residues pruned to eliminate duplicates Z: 22 26.490 1.929 0.862 0.902 0.905 0.714 CB 1.269 22 residues pruned to eliminate duplicates Z: 16 19.785 1.825 0.982 0.912 0.867 0.533 CB 1.154 16 residues pruned to eliminate duplicates Z: 18 28.398 2.024 0.870 0.893 0.941 0.765 CB 1.388 17 residues pruned to eliminate duplicates Z: 19 25.171 1.816 0.778 0.870 1.000 0.500 CB 1.341 15 residues pruned to eliminate duplicates Z: 22 29.614 1.956 0.807 0.898 0.952 0.810 CB 1.373 22 residues pruned to eliminate duplicates Z: 21 30.797 1.944 0.865 0.912 1.000 0.650 CB 1.345 21 residues pruned to eliminate duplicates Z: 14 18.778 1.950 0.755 0.933 0.923 0.385 CB 1.151 14 residues pruned to eliminate duplicates Z: 19 16.696 1.843 0.773 0.898 0.944 0.889 CB 0.912 13 residues pruned to eliminate duplicates Z: 19 22.359 1.818 0.558 0.874 1.000 0.778 CB 1.354 19 residues pruned to eliminate duplicates Z: 22 28.988 1.746 0.878 0.842 0.952 0.810 CB 1.509 19 residues pruned to eliminate duplicates Z: 22 21.893 1.970 0.544 0.935 0.952 0.905 CB 1.149 22 residues pruned to eliminate duplicates Z: 23 28.226 1.961 0.772 0.902 1.000 0.773 CB 1.235 23 residues pruned to eliminate duplicates Z: 14 26.570 2.027 0.562 0.910 1.000 0.846 CB 1.651 14 residues pruned to eliminate duplicates Z: 11 7.003 1.747 0.585 0.828 0.900 0.800 CB 0.669 Z: 24 31.962 1.833 0.950 0.952 1.000 0.957 CB 1.284 24 residues pruned to eliminate duplicates Z: 22 19.485 1.754 0.955 0.872 0.952 0.476 CB 0.949 22 residues pruned to eliminate duplicates Z: 21 25.690 1.740 0.765 0.889 1.000 0.600 CB 1.346 20 residues pruned to eliminate duplicates Z: 19 23.863 1.857 0.978 0.822 1.000 0.389 CB 1.158 19 residues pruned to eliminate duplicates Z: 19 28.039 2.011 0.907 0.859 0.944 0.778 CB 1.343 20 residues pruned to eliminate duplicates Z: 19 17.082 1.791 0.319 0.883 0.944 0.889 CB 1.304 19 residues pruned to eliminate duplicates Z: 9 9.012 1.724 0.464 0.847 0.875 0.625 CB 1.071 9 residues pruned to eliminate duplicates Z: 22 18.630 1.859 0.507 0.897 1.000 0.905 CB 1.039 22 residues pruned to eliminate duplicates Z: 19 15.485 1.828 0.346 0.819 0.944 0.889 CB 1.191 19 residues pruned to eliminate duplicates Z: 16 11.813 2.024 0.521 0.931 1.000 0.933 CB 0.693 16 residues pruned to eliminate duplicates Z: 19 24.298 2.001 0.551 0.866 1.000 0.722 CB 1.350 19 residues pruned to eliminate duplicates Z: 18 15.431 1.697 1.161 0.910 0.941 0.941 CB 0.769 Z: 25 30.323 1.930 1.023 0.901 0.958 0.708 CB 1.181 25 residues pruned to eliminate duplicates Z: 20 19.002 1.781 0.873 0.849 0.895 0.737 CB 1.082 Z: 18 22.004 2.068 0.840 0.879 1.000 0.706 CB 1.017 18 residues pruned to eliminate duplicates Z: 19 25.952 1.823 0.802 0.867 0.944 0.722 CB 1.442 19 residues pruned to eliminate duplicates Z: 10 16.643 1.928 0.693 0.878 1.000 0.889 CB 1.234 10 residues pruned to eliminate duplicates Z: 15 25.564 1.944 0.618 0.906 1.000 0.929 CB 1.545 15 residues pruned to eliminate duplicates Z: 14 16.474 1.823 0.381 0.871 1.000 0.769 CB 1.324 14 residues pruned to eliminate duplicates Z: 18 12.903 1.756 0.077 0.890 0.941 0.824 O 1.264 18 residues pruned to eliminate duplicates Z: 17 15.471 1.881 0.280 0.865 0.938 0.812 CB 1.256 17 residues pruned to eliminate duplicates Z: 17 18.670 1.736 0.661 0.905 1.000 0.875 CB 1.153 16 residues pruned to eliminate duplicates Z: 53 31.376 1.925 0.565 0.737 0.923 0.673 CB 1.265 52 residues pruned to eliminate duplicates Z: 15 19.012 1.938 0.507 0.918 1.000 0.857 CB 1.227 15 residues pruned to eliminate duplicates Z: 18 18.418 1.819 0.481 0.918 1.000 0.706 CB 1.170 19 residues pruned to eliminate duplicates Z: 17 28.587 1.861 1.131 0.923 0.938 0.750 CB 1.351 17 residues pruned to eliminate duplicates Z: 22 30.366 1.932 0.801 0.922 1.000 0.857 CB 1.340 22 residues pruned to eliminate duplicates Z: 22 28.966 1.951 0.749 0.861 1.000 0.905 CB 1.362 19 residues pruned to eliminate duplicates Z: 21 28.262 1.968 0.936 0.904 0.950 0.650 CB 1.244 22 residues pruned to eliminate duplicates Z: 24 28.300 1.983 1.054 0.872 0.957 0.826 CB 1.104 24 residues pruned to eliminate duplicates Z: 14 22.432 1.938 1.250 0.906 1.000 0.615 CB 1.015 16 residues pruned to eliminate duplicates Z: 14 16.684 1.958 0.472 0.873 1.000 0.615 CB 1.169 14 residues pruned to eliminate duplicates Z: 18 25.454 2.059 1.162 0.928 1.000 0.765 CB 0.971 19 residues pruned to eliminate duplicates Z: 19 22.325 2.026 0.531 0.908 0.944 0.944 CB 1.275 19 residues pruned to eliminate duplicates Z: 20 18.862 1.712 0.584 0.860 0.947 0.684 CB 1.238 20 residues pruned to eliminate duplicates Z: 20 25.982 2.006 0.842 0.930 1.000 0.789 CB 1.128 19 residues pruned to eliminate duplicates Z: 18 21.147 1.875 0.635 0.928 1.000 0.882 CB 1.172 18 residues pruned to eliminate duplicates Z: 15 15.514 1.799 0.610 0.899 1.000 0.857 CB 1.023 15 residues pruned to eliminate duplicates Z: 22 28.931 1.941 0.905 0.897 0.952 0.714 CB 1.284 22 residues pruned to eliminate duplicates Z: 8 5.401 1.911 0.421 0.911 1.000 1.000 CB 0.533 7 residues pruned to eliminate duplicates Z: 22 27.817 1.830 1.005 0.929 1.000 0.810 CB 1.158 20 residues pruned to eliminate duplicates Z: 9 4.398 1.730 0.652 0.263 0.875 0.500 CB 0.815 Z: 12 10.816 1.616 0.707 0.781 0.818 0.636 CB 1.128 Z: 19 30.518 1.992 0.845 0.875 0.944 0.722 CB 1.507 19 residues pruned to eliminate duplicates Z: 21 29.448 1.970 0.919 0.907 0.900 0.550 CB 1.375 21 residues pruned to eliminate duplicates Z: 22 31.827 1.952 0.823 0.917 1.000 0.857 CB 1.378 21 residues pruned to eliminate duplicates Z: 16 18.652 1.792 0.867 0.884 1.000 0.667 CB 1.040 16 residues pruned to eliminate duplicates Z: 20 27.566 1.972 0.973 0.903 1.000 0.474 CB 1.159 20 residues pruned to eliminate duplicates Z: 18 22.903 1.852 0.678 0.881 1.000 0.882 CB 1.294 18 residues pruned to eliminate duplicates Z: 10 14.276 2.020 0.805 0.920 0.889 0.667 CB 1.035 10 residues pruned to eliminate duplicates Z: 19 21.039 1.848 0.623 0.888 0.944 0.778 CB 1.262 19 residues pruned to eliminate duplicates Z: 18 12.820 1.738 0.646 0.907 0.941 0.882 CB 0.821 18 residues pruned to eliminate duplicates Z: 17 15.978 1.850 0.483 0.882 1.000 0.812 CB 1.054 17 residues pruned to eliminate duplicates Z: 22 23.988 1.843 0.713 0.903 0.952 0.905 CB 1.240 22 residues pruned to eliminate duplicates Z: 13 7.323 1.620 0.712 0.667 0.917 0.583 CB 0.713 13 residues pruned to eliminate duplicates Z: 11 11.420 1.952 0.569 0.834 0.800 0.500 CB 1.105 11 residues pruned to eliminate duplicates Z: 12 12.594 1.660 0.766 0.873 1.000 0.727 CB 0.943 Z: 19 22.498 1.812 0.433 0.897 1.000 0.722 CB 1.462 19 residues pruned to eliminate duplicates Z: 16 13.519 1.576 0.605 0.836 0.933 0.733 CB 1.107 12 residues pruned to eliminate duplicates Z: 18 29.623 1.969 0.758 0.916 1.000 0.941 CB 1.466 19 residues pruned to eliminate duplicates Z: 7 3.427 1.491 0.644 0.401 0.833 0.667 CB 0.760 Z: 23 25.989 1.920 0.679 0.926 1.000 0.909 CB 1.205 23 residues pruned to eliminate duplicates Z: 17 14.752 1.720 0.750 0.919 1.000 0.875 CB 0.864 17 residues pruned to eliminate duplicates Z: 18 36.454 2.135 0.883 0.912 1.000 0.765 CB 1.558 20 residues pruned to eliminate duplicates Z: 22 24.244 1.834 0.790 0.855 0.952 0.762 CB 1.248 22 residues pruned to eliminate duplicates Z: 19 23.093 1.868 0.908 0.855 1.000 0.889 CB 1.127 19 residues pruned to eliminate duplicates Z: 23 17.420 1.831 0.574 0.889 0.955 0.727 CB 0.972 23 residues pruned to eliminate duplicates Z: 16 18.240 1.982 0.308 0.926 1.000 0.933 CB 1.274 16 residues pruned to eliminate duplicates Z: 18 23.122 2.022 0.548 0.894 1.000 0.765 CB 1.285 18 residues pruned to eliminate duplicates Z: 17 17.491 1.711 0.544 0.923 1.000 0.875 CB 1.163 17 residues pruned to eliminate duplicates Z: 19 25.322 2.005 0.612 0.934 1.000 1.000 CB 1.288 19 residues pruned to eliminate duplicates Z: 6 6.313 2.047 0.442 0.823 1.000 0.800 CB 0.723 Z: 14 22.515 1.840 1.003 0.887 0.923 0.692 CB 1.323 14 residues pruned to eliminate duplicates Z: 13 13.685 1.867 0.827 0.851 0.833 0.500 CB 1.029 13 residues pruned to eliminate duplicates Z: 18 21.931 2.066 0.648 0.938 0.941 0.824 CB 1.154 18 residues pruned to eliminate duplicates Z: 19 25.934 1.890 0.642 0.882 0.944 0.722 CB 1.510 19 residues pruned to eliminate duplicates Z: 16 25.551 2.035 0.618 0.855 0.933 0.800 CB 1.584 16 residues pruned to eliminate duplicates Z: 18 18.820 1.900 0.363 0.884 1.000 0.706 CB 1.274 18 residues pruned to eliminate duplicates Z: 21 28.479 1.994 1.034 0.937 1.000 0.750 CB 1.093 21 residues pruned to eliminate duplicates Z: 10 2.074 1.590 0.307 0.251 0.556 0.333 CB 0.797 Z: 20 19.493 1.757 0.341 0.840 1.000 0.684 CB 1.417 20 residues pruned to eliminate duplicates Z: 10 15.904 1.775 0.788 0.889 1.000 0.889 CB 1.202 12 residues pruned to eliminate duplicates Z: 9 4.797 1.653 0.451 0.241 0.875 0.500 CB 1.090 Z: 16 15.923 1.799 0.648 0.898 1.000 0.933 CB 0.992 18 residues pruned to eliminate duplicates Z: 20 26.554 1.784 0.852 0.899 1.000 0.895 CB 1.318 20 residues pruned to eliminate duplicates Z: 17 22.678 1.963 0.506 0.881 1.000 0.875 CB 1.388 17 residues pruned to eliminate duplicates Z: 6 2.460 1.376 0.302 0.271 0.800 0.600 CB 0.996 Z: 15 22.408 1.935 0.603 0.928 1.000 0.786 CB 1.352 16 residues pruned to eliminate duplicates Z: 17 21.911 1.891 0.520 0.934 1.000 1.000 CB 1.329 17 residues pruned to eliminate duplicates Z: 18 12.437 1.757 0.433 0.838 0.941 0.882 CB 0.952 18 residues pruned to eliminate duplicates Z: 16 21.037 1.916 0.679 0.950 1.000 0.933 CB 1.165 16 residues pruned to eliminate duplicates Z: 17 18.425 1.709 0.837 0.891 0.938 0.750 CB 1.126 16 residues pruned to eliminate duplicates Z: 16 25.546 1.938 0.898 0.853 0.933 0.667 CB 1.421 16 residues pruned to eliminate duplicates Z: 10 10.193 1.909 0.072 0.862 0.889 0.889 CB 1.371 10 residues pruned to eliminate duplicates Z: 16 19.280 1.648 0.757 0.893 1.000 0.800 CB 1.235 12 residues pruned to eliminate duplicates Z: 20 26.374 1.958 0.876 0.881 1.000 0.684 CB 1.193 20 residues pruned to eliminate duplicates Z: 18 28.141 1.968 0.806 0.921 1.000 0.941 CB 1.351 18 residues pruned to eliminate duplicates Z: 14 11.977 1.776 0.318 0.883 0.923 0.923 CB 1.111 Z: 20 15.602 1.780 0.220 0.868 0.947 0.789 CB 1.273 20 residues pruned to eliminate duplicates Z: 20 25.496 2.045 0.967 0.939 0.947 0.737 CB 1.066 20 residues pruned to eliminate duplicates Z: 20 24.526 1.786 0.622 0.886 1.000 0.789 CB 1.401 20 residues pruned to eliminate duplicates Z: 19 17.031 1.912 0.880 0.803 0.944 0.500 CB 0.908 19 residues pruned to eliminate duplicates Z: 18 15.317 1.698 0.845 0.863 0.941 0.765 CB 0.925 18 residues pruned to eliminate duplicates Z: 13 13.509 1.826 0.929 0.867 0.917 0.833 CB 0.883 13 residues pruned to eliminate duplicates Z: 14 24.979 1.848 0.839 0.914 1.000 0.769 CB 1.442 15 residues pruned to eliminate duplicates Z: 14 14.511 1.684 0.574 0.925 1.000 0.923 CB 1.065 14 residues pruned to eliminate duplicates Z: 20 24.210 1.794 0.698 0.888 0.947 0.684 CB 1.386 20 residues pruned to eliminate duplicates Z: 18 25.134 1.972 0.917 0.906 1.000 0.588 CB 1.147 18 residues pruned to eliminate duplicates Z: 18 16.953 1.784 0.440 0.861 1.000 0.824 CB 1.176 18 residues pruned to eliminate duplicates Z: 19 16.892 1.641 0.763 0.918 1.000 1.000 CB 0.971 19 residues pruned to eliminate duplicates Z: 18 23.186 1.877 0.729 0.916 1.000 0.941 CB 1.224 17 residues pruned to eliminate duplicates Z: 24 11.107 1.685 0.513 0.634 0.826 0.565 CB 0.969 24 residues pruned to eliminate duplicates Z: 8 5.755 1.882 0.691 0.865 1.000 0.714 CB 0.501 Z: 19 16.426 1.802 0.491 0.779 0.944 0.500 CB 1.192 19 residues pruned to eliminate duplicates Z: 19 15.431 1.863 0.154 0.862 0.944 0.833 CB 1.315 19 residues pruned to eliminate duplicates Z: 12 11.282 1.871 0.552 0.888 1.000 0.636 CB 0.844 11 residues pruned to eliminate duplicates Z: 13 16.176 1.721 0.599 0.887 1.000 0.917 CB 1.223 13 residues pruned to eliminate duplicates Z: 17 18.230 1.827 0.663 0.780 0.938 0.500 CB 1.251 17 residues pruned to eliminate duplicates Z: 13 14.230 1.769 0.583 0.865 1.000 0.750 CB 1.075 13 residues pruned to eliminate duplicates Z: 17 14.962 1.853 0.302 0.919 1.000 0.938 CB 1.093 17 residues pruned to eliminate duplicates Z: 18 19.104 1.853 0.711 0.942 0.941 0.765 CB 1.077 15 residues pruned to eliminate duplicates Z: 19 15.811 1.650 0.442 0.914 1.000 0.833 CB 1.108 19 residues pruned to eliminate duplicates Z: 16 21.315 1.955 1.035 0.912 0.867 0.400 CB 1.130 16 residues pruned to eliminate duplicates Z: 9 11.689 1.664 0.761 0.799 0.875 0.750 CB 1.241 9 residues pruned to eliminate duplicates Z: 24 23.434 1.905 0.652 0.886 1.000 0.783 CB 1.120 23 residues pruned to eliminate duplicates Z: 15 21.604 1.840 0.773 0.881 1.000 0.857 CB 1.281 15 residues pruned to eliminate duplicates Z: 12 8.429 1.734 0.533 0.825 1.000 0.727 CB 0.722 12 residues pruned to eliminate duplicates Z: 16 17.010 1.709 0.556 0.922 1.000 0.800 CB 1.161 16 residues pruned to eliminate duplicates Z: 17 24.195 1.907 0.788 0.926 1.000 0.812 CB 1.244 17 residues pruned to eliminate duplicates Z: 23 25.853 1.889 0.842 0.909 0.955 0.909 CB 1.178 23 residues pruned to eliminate duplicates Z: 19 22.176 1.809 0.813 0.851 0.944 0.667 CB 1.249 19 residues pruned to eliminate duplicates Z: 13 20.679 1.975 0.796 0.910 1.000 1.000 CB 1.194 13 residues pruned to eliminate duplicates Z: 13 16.816 1.744 0.590 0.928 1.000 0.917 CB 1.225 13 residues pruned to eliminate duplicates Z: 17 14.551 1.800 0.364 0.888 1.000 0.688 CB 1.068 17 residues pruned to eliminate duplicates 7 1.723 1.792 0.039 0.509 0.500 0.500 CB 0.749 ? Z: 22 23.893 1.943 0.706 0.928 1.000 0.762 CB 1.101 22 residues pruned to eliminate duplicates Z: 24 25.047 1.976 0.434 0.916 1.000 0.913 CB 1.302 24 residues pruned to eliminate duplicates Z: 23 20.517 1.824 0.698 0.893 0.955 0.909 CB 1.062 23 residues pruned to eliminate duplicates Z: 19 27.637 2.037 0.807 0.911 1.000 0.944 CB 1.254 19 residues pruned to eliminate duplicates Z: 20 17.252 1.911 0.510 0.892 0.947 0.842 CB 1.040 20 residues pruned to eliminate duplicates Z: 18 18.651 1.840 0.522 0.820 1.000 0.882 CB 1.224 18 residues pruned to eliminate duplicates Z: 17 16.827 1.871 0.441 0.850 0.938 0.625 CB 1.232 17 residues pruned to eliminate duplicates Z: 20 21.456 1.891 0.477 0.907 0.947 0.842 CB 1.322 20 residues pruned to eliminate duplicates Z: 43 27.247 1.880 0.759 0.638 0.881 0.667 CB 1.268 48 residues pruned to eliminate duplicates Z: 22 24.315 1.999 0.723 0.902 0.952 0.762 CB 1.154 23 residues pruned to eliminate duplicates Z: 18 21.925 1.886 0.432 0.899 1.000 0.824 CB 1.407 18 residues pruned to eliminate duplicates Z: 15 21.694 1.887 0.669 0.880 1.000 0.643 CB 1.334 15 residues pruned to eliminate duplicates Z: 20 20.667 1.750 0.426 0.909 1.000 0.947 CB 1.349 20 residues pruned to eliminate duplicates Z: 15 29.180 1.905 0.960 0.908 1.000 0.786 CB 1.483 15 residues pruned to eliminate duplicates Z: 17 24.987 2.015 1.146 0.809 0.938 0.562 CB 1.178 17 residues pruned to eliminate duplicates Z: 19 21.404 1.772 0.853 0.835 0.833 0.444 N 1.382 19 residues pruned to eliminate duplicates Z: 15 17.079 1.922 0.428 0.887 1.000 0.786 CB 1.199 15 residues pruned to eliminate duplicates Z: 10 8.338 1.648 0.673 0.679 0.778 0.444 CB 1.099 10 residues pruned to eliminate duplicates Z: 12 14.177 1.740 0.915 0.900 1.000 0.818 CB 0.916 12 residues pruned to eliminate duplicates Z: 17 30.828 2.089 0.733 0.897 1.000 0.812 CB 1.525 17 residues pruned to eliminate duplicates Z: 20 25.368 2.033 0.716 0.899 0.947 0.789 CB 1.258 20 residues pruned to eliminate duplicates Z: 21 28.379 1.989 0.788 0.887 0.950 0.800 CB 1.355 21 residues pruned to eliminate duplicates Z: 8 5.438 1.634 0.583 0.636 1.000 0.571 CB 0.699 Z: 18 16.900 1.855 0.647 0.947 1.000 1.000 CB 0.927 18 residues pruned to eliminate duplicates Z: 20 15.827 1.822 0.256 0.883 0.947 0.842 CB 1.211 20 residues pruned to eliminate duplicates Z: 20 20.534 1.740 0.327 0.927 1.000 0.947 CB 1.428 20 residues pruned to eliminate duplicates Z: 20 16.417 1.830 0.431 0.842 0.947 0.737 CB 1.131 20 residues pruned to eliminate duplicates Z: 19 26.246 1.885 0.630 0.894 1.000 0.944 CB 1.444 19 residues pruned to eliminate duplicates Z: 18 20.098 1.889 0.482 0.888 1.000 0.882 CB 1.254 18 residues pruned to eliminate duplicates Z: 6 4.036 1.474 0.760 0.444 0.800 0.400 CB 0.922 Z: 10 10.972 1.654 0.850 0.718 0.778 0.556 CB 1.261 9 residues pruned to eliminate duplicates Z: 19 16.259 1.645 0.629 0.903 0.944 0.833 CB 1.079 17 residues pruned to eliminate duplicates Z: 7 4.316 1.762 0.345 0.798 0.833 0.500 CB 0.688 7 residues pruned to eliminate duplicates Z: 41 38.453 1.966 0.797 0.830 0.950 0.775 CB 1.362 46 residues pruned to eliminate duplicates Z: 11 5.271 1.593 0.325 0.555 0.800 0.600 CB 0.936 11 residues pruned to eliminate duplicates Z: 6 2.576 1.627 0.096 0.362 0.800 0.600 CB 0.937 Z: 8 4.990 1.652 0.461 0.365 0.857 0.571 CB 1.054 Z: 7 3.148 1.634 0.388 0.314 0.667 0.167 CB 1.044 7 residues pruned to eliminate duplicates Z: 19 23.288 1.891 0.609 0.929 1.000 0.889 CB 1.263 19 residues pruned to eliminate duplicates Z: 18 24.669 1.927 0.945 0.927 1.000 0.882 CB 1.118 19 residues pruned to eliminate duplicates Z: 6 6.727 1.619 1.017 0.384 1.000 0.600 CB 1.042 Z: 15 13.885 1.615 0.429 0.906 1.000 0.929 CB 1.144 13 residues pruned to eliminate duplicates Z: 20 26.947 1.774 0.977 0.867 0.947 0.474 CB 1.361 19 residues pruned to eliminate duplicates Z: 11 5.555 1.710 0.282 0.519 0.800 0.500 CB 0.983 11 residues pruned to eliminate duplicates Z: 8 2.344 1.383 0.824 0.231 0.857 0.429 CB 0.560 Z: 7 4.820 1.485 0.630 0.383 0.833 0.333 CB 1.105 Z: 31 11.507 1.815 0.396 0.493 0.833 0.500 CB 1.002 31 residues pruned to eliminate duplicates Z: 8 3.319 1.664 0.410 0.663 0.857 0.571 CB 0.536 Z: 24 25.750 1.978 0.548 0.917 1.000 0.913 CB 1.237 24 residues pruned to eliminate duplicates Z: 16 21.749 1.875 0.992 0.877 0.867 0.867 CB 1.259 16 residues pruned to eliminate duplicates Z: 17 12.067 1.661 0.494 0.862 0.938 0.812 CB 0.952 17 residues pruned to eliminate duplicates Z: 19 19.916 2.022 0.615 0.931 1.000 0.778 CB 1.005 19 residues pruned to eliminate duplicates Z: 16 16.993 1.662 0.767 0.901 0.800 0.533 CB 1.333 15 residues pruned to eliminate duplicates Z: 21 29.013 1.873 0.929 0.805 0.950 0.600 CB 1.449 21 residues pruned to eliminate duplicates Z: 20 20.037 1.883 1.094 0.927 0.947 0.684 CB 0.863 19 residues pruned to eliminate duplicates Z: 12 6.491 1.678 0.369 0.837 1.000 0.545 CB 0.637 12 residues pruned to eliminate duplicates Z: 22 17.492 1.847 0.484 0.891 0.905 0.905 CB 1.107 22 residues pruned to eliminate duplicates Z: 22 24.806 2.014 0.403 0.936 1.000 1.000 CB 1.334 22 residues pruned to eliminate duplicates Z: 15 12.849 1.784 0.353 0.709 0.929 0.786 CB 1.268 14 residues pruned to eliminate duplicates Z: 8 3.482 1.569 0.486 0.481 0.714 0.714 CB 0.806 8 residues pruned to eliminate duplicates Z: 20 18.323 1.807 0.966 0.881 1.000 0.632 CB 0.857 20 residues pruned to eliminate duplicates Z: 14 18.035 1.809 0.393 0.897 1.000 0.846 CB 1.421 14 residues pruned to eliminate duplicates Z: 16 21.143 1.883 0.675 0.910 1.000 0.733 CB 1.228 16 residues pruned to eliminate duplicates 6 0.748 1.592 1.159 0.853 1.000 1.000 CB 0.072 ? Z: 17 21.495 1.932 0.962 0.908 1.000 0.500 CB 1.007 17 residues pruned to eliminate duplicates Z: 20 17.823 1.834 0.482 0.852 1.000 0.737 CB 1.113 20 residues pruned to eliminate duplicates Z: 20 24.448 1.965 0.689 0.835 0.947 0.632 CB 1.336 20 residues pruned to eliminate duplicates Z: 19 17.908 1.862 0.463 0.808 0.944 0.778 CB 1.254 19 residues pruned to eliminate duplicates Z: 7 5.813 1.449 0.848 0.761 0.667 0.500 O 1.055 7 residues pruned to eliminate duplicates Z: 19 18.098 1.751 0.586 0.921 0.944 0.889 CB 1.144 19 residues pruned to eliminate duplicates Z: 19 16.690 1.878 0.765 0.900 0.889 0.667 CB 0.954 19 residues pruned to eliminate duplicates Z: 15 22.239 1.948 0.652 0.903 1.000 0.857 CB 1.317 15 residues pruned to eliminate duplicates Z: 7 2.382 1.514 0.268 0.447 0.500 0.333 CB 1.069 7 residues pruned to eliminate duplicates Z: 11 5.241 1.490 0.398 0.579 0.900 0.500 CB 0.819 11 residues pruned to eliminate duplicates Z: 12 13.318 1.837 0.398 0.837 0.818 0.636 O 1.429 12 residues pruned to eliminate duplicates Z: 9 3.992 1.885 0.847 0.914 1.000 0.875 CB 0.287 Z: 24 29.153 2.004 0.630 0.920 1.000 0.957 CB 1.310 24 residues pruned to eliminate duplicates 6 1.291 1.469 0.820 0.452 0.800 0.600 CB 0.283 ? Z: 19 18.346 1.850 0.503 0.867 1.000 0.833 CB 1.138 19 residues pruned to eliminate duplicates Z: 25 25.885 1.972 0.569 0.901 1.000 0.917 CB 1.219 25 residues pruned to eliminate duplicates Z: 16 16.460 1.900 0.272 0.889 1.000 0.733 CB 1.266 16 residues pruned to eliminate duplicates Z: 17 12.920 1.760 0.363 0.887 1.000 0.812 CB 0.970 16 residues pruned to eliminate duplicates Z: 7 2.748 1.551 -0.070 0.561 0.833 0.333 CB 0.880 Z: 11 9.494 1.709 0.470 0.774 0.800 0.800 CB 1.172 11 residues pruned to eliminate duplicates Z: 16 23.816 1.866 0.809 0.859 1.000 0.800 CB 1.340 16 residues pruned to eliminate duplicates Z: 17 21.788 1.994 0.931 0.872 0.875 0.750 CB 1.178 17 residues pruned to eliminate duplicates Z: 21 16.424 1.839 0.493 0.700 0.900 0.600 CB 1.239 21 residues pruned to eliminate duplicates Z: 23 23.703 1.933 0.571 0.921 1.000 1.000 CB 1.171 23 residues pruned to eliminate duplicates Z: 18 31.240 2.063 0.773 0.914 1.000 0.882 CB 1.464 20 residues pruned to eliminate duplicates Z: 46 32.484 1.910 0.563 0.706 0.956 0.711 CB 1.408 53 residues pruned to eliminate duplicates Z: 19 16.423 1.839 0.513 0.894 1.000 0.833 CB 0.998 19 residues pruned to eliminate duplicates Z: 15 19.073 1.840 0.407 0.915 1.000 1.000 CB 1.392 15 residues pruned to eliminate duplicates Z: 20 25.034 1.891 0.981 0.852 0.842 0.474 CB 1.347 20 residues pruned to eliminate duplicates Z: 6 5.816 1.616 0.620 0.282 1.000 0.600 CB 1.270 Z: 8 2.953 1.608 0.515 0.306 0.714 0.429 CB 0.796 Z: 13 7.314 1.719 0.811 0.750 0.917 0.667 CB 0.592 Z: 18 18.208 1.831 0.512 0.888 1.000 0.588 CB 1.149 18 residues pruned to eliminate duplicates Z: 22 25.401 2.003 0.653 0.919 1.000 0.952 CB 1.179 22 residues pruned to eliminate duplicates Z: 6 5.675 1.511 0.829 0.715 0.800 0.800 CB 0.945 Z: 10 7.683 1.636 0.708 0.830 0.667 0.222 CB 1.033 10 residues pruned to eliminate duplicates Z: 10 17.339 1.934 0.780 0.792 1.000 0.889 CB 1.299 10 residues pruned to eliminate duplicates Z: 6 5.011 1.565 0.366 0.478 0.800 0.600 N 1.340 6 0.055 1.740 0.845 0.777 0.800 0.600 CB 0.008 ? Z: 6 2.533 1.537 0.474 0.332 0.600 0.600 N 1.002 Z: 18 17.224 1.775 0.851 0.915 0.941 0.824 CB 0.955 18 residues pruned to eliminate duplicates Z: 12 3.605 1.487 0.394 0.205 0.818 0.545 CB 0.909 12 residues pruned to eliminate duplicates Z: 18 13.204 1.682 0.414 0.872 0.941 0.588 CB 1.043 18 residues pruned to eliminate duplicates Z: 27 22.163 1.915 0.763 0.703 0.846 0.692 CB 1.265 27 residues pruned to eliminate duplicates Z: 6 3.475 1.355 0.370 0.401 0.800 0.800 CA 1.161 Z: 6 5.646 1.662 0.310 0.842 1.000 0.800 CB 0.864 6 residues pruned to eliminate duplicates Z: 19 24.501 1.876 0.588 0.857 1.000 0.667 CB 1.428 19 residues pruned to eliminate duplicates Z: 6 2.283 1.445 0.536 0.315 0.600 0.600 CB 0.941 Z: 12 4.841 1.617 0.520 0.258 0.727 0.273 CB 1.078 Z: 24 25.031 1.865 0.496 0.917 1.000 0.870 CB 1.321 24 residues pruned to eliminate duplicates Z: 10 9.222 1.674 0.561 0.803 0.778 0.333 CB 1.161 10 residues pruned to eliminate duplicates Z: 8 3.005 1.497 0.376 0.883 1.000 0.714 CB 0.399 Z: 14 13.868 1.693 0.951 0.870 0.846 0.231 CB 1.004 14 residues pruned to eliminate duplicates Z: 15 7.074 1.500 0.596 0.465 0.714 0.429 N 1.146 15 residues pruned to eliminate duplicates Z: 8 5.357 2.036 0.324 0.859 0.857 0.857 CB 0.645 Z: 13 11.717 1.696 0.742 0.465 0.917 0.583 CB 1.294 13 residues pruned to eliminate duplicates Z: 19 16.689 1.652 0.444 0.924 1.000 0.944 CB 1.158 19 residues pruned to eliminate duplicates Z: 17 13.824 1.887 0.281 0.870 1.000 0.750 CB 1.043 17 residues pruned to eliminate duplicates Z: 16 20.299 1.848 0.641 0.885 1.000 0.867 CB 1.248 16 residues pruned to eliminate duplicates Z: 9 15.304 1.906 1.162 0.904 1.000 0.875 CB 0.935 9 residues pruned to eliminate duplicates Z: 8 4.062 1.436 0.718 0.329 0.857 0.429 CB 0.876 Z: 20 26.540 1.894 0.704 0.932 1.000 0.684 CB 1.317 20 residues pruned to eliminate duplicates Z: 8 2.492 1.277 -0.019 0.321 0.857 0.571 CB 1.069 Z: 15 19.838 1.881 0.712 0.927 0.929 0.857 CB 1.242 16 residues pruned to eliminate duplicates Z: 18 28.342 2.014 0.873 0.896 0.941 0.588 CB 1.386 18 residues pruned to eliminate duplicates Z: 12 11.318 1.597 0.736 0.844 0.909 0.818 CB 1.008 12 residues pruned to eliminate duplicates Z: 19 19.271 1.876 0.722 0.949 1.000 0.833 CB 0.970 19 residues pruned to eliminate duplicates Z: 12 10.763 1.825 0.330 0.863 0.909 0.727 CB 1.079 12 residues pruned to eliminate duplicates Z: 39 28.798 1.801 0.895 0.827 0.947 0.553 CB 1.089 42 residues pruned to eliminate duplicates Z: 19 25.616 1.978 0.924 0.903 1.000 0.722 CB 1.131 19 residues pruned to eliminate duplicates Z: 13 8.359 1.777 0.773 0.556 0.833 0.417 CB 0.870 13 residues pruned to eliminate duplicates Z: 17 17.092 1.625 0.801 0.811 0.875 0.500 CB 1.273 15 residues pruned to eliminate duplicates Z: 20 16.007 1.820 1.098 0.905 0.947 0.579 CB 0.722 20 residues pruned to eliminate duplicates Z: 10 18.186 1.984 0.477 0.795 1.000 0.667 CB 1.598 10 residues pruned to eliminate duplicates Z: 22 26.492 1.909 1.007 0.863 0.952 0.429 CB 1.163 24 residues pruned to eliminate duplicates Z: 18 16.779 1.694 0.792 0.908 0.941 0.647 CB 1.011 17 residues pruned to eliminate duplicates Z: 12 9.295 1.853 0.506 0.571 0.909 0.636 CB 1.031 12 residues pruned to eliminate duplicates Z: 26 19.902 1.880 0.838 0.626 0.840 0.560 CB 1.217 21 residues pruned to eliminate duplicates Z: 18 11.333 1.768 1.207 0.860 0.765 0.176 CB 0.677 18 residues pruned to eliminate duplicates Z: 18 17.947 1.609 0.612 0.857 0.941 0.765 CB 1.315 18 residues pruned to eliminate duplicates Z: 12 9.281 1.731 0.612 0.890 0.909 0.909 CB 0.793 12 residues pruned to eliminate duplicates Z: 14 11.717 1.850 0.694 0.679 0.923 0.923 CB 0.953 14 residues pruned to eliminate duplicates Z: 25 21.162 1.816 0.887 0.773 0.833 0.667 CB 1.188 25 residues pruned to eliminate duplicates Z: 7 2.101 1.424 0.234 0.133 0.667 0.333 CB 1.156 Z: 22 23.663 1.963 0.521 0.899 0.952 0.857 CB 1.298 22 residues pruned to eliminate duplicates Z: 17 11.050 1.568 0.872 0.822 0.688 0.312 CB 1.036 18 residues pruned to eliminate duplicates Z: 15 24.948 1.838 0.839 0.914 1.000 0.714 CB 1.394 15 residues pruned to eliminate duplicates Z: 38 31.167 1.972 1.073 0.783 0.865 0.514 CB 1.130 43 residues pruned to eliminate duplicates Z: 6 4.413 1.639 0.458 0.433 1.000 0.200 CB 0.885 Z: 7 3.391 1.541 0.379 0.418 1.000 0.500 CB 0.710 Z: 6 2.871 1.454 0.654 0.799 0.800 0.600 CB 0.514 6 residues pruned to eliminate duplicates Z: 20 21.125 1.906 0.654 0.946 1.000 0.895 CB 1.062 20 residues pruned to eliminate duplicates Z: 13 11.322 1.816 0.698 0.700 0.750 0.417 CB 1.177 13 residues pruned to eliminate duplicates Z: 42 16.099 1.742 0.474 0.535 0.854 0.463 CB 1.108 43 residues pruned to eliminate duplicates Z: 23 13.036 1.757 0.613 0.625 0.818 0.500 CB 1.066 21 residues pruned to eliminate duplicates Z: 7 3.583 1.590 1.146 0.435 0.833 0.833 CB 0.550 Z: 10 7.233 1.828 0.393 0.465 1.000 0.667 CB 0.982 Z: 17 15.258 1.702 0.423 0.918 1.000 0.938 CB 1.110 17 residues pruned to eliminate duplicates Z: 17 21.331 1.869 0.425 0.920 1.000 0.875 CB 1.410 17 residues pruned to eliminate duplicates Z: 15 7.354 1.689 0.450 0.498 0.714 0.571 CB 1.126 11 residues pruned to eliminate duplicates Z: 17 17.945 1.647 0.404 0.913 1.000 0.938 O 1.373 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 20 18.664 2.002 0.561 0.909 0.947 0.842 CB 1.026 20 residues pruned to eliminate duplicates Z: 30 17.833 1.910 0.427 0.696 0.897 0.759 CB 1.133 29 residues pruned to eliminate duplicates Z: 19 20.734 2.067 0.639 0.922 1.000 1.000 CB 1.014 19 residues pruned to eliminate duplicates Z: 34 24.236 1.997 0.509 0.794 0.939 0.818 CB 1.152 34 residues pruned to eliminate duplicates Z: 18 20.199 2.044 0.652 0.924 1.000 0.882 CB 1.018 18 residues pruned to eliminate duplicates Z: 17 21.323 2.082 0.673 0.816 1.000 0.750 CB 1.163 17 residues pruned to eliminate duplicates Z: 39 29.586 1.910 0.716 0.761 0.974 0.658 CB 1.192 38 residues pruned to eliminate duplicates Z: 19 22.437 2.029 0.738 0.952 1.000 0.889 CB 1.033 19 residues pruned to eliminate duplicates Z: 38 29.958 1.922 0.829 0.789 0.946 0.649 CB 1.150 38 residues pruned to eliminate duplicates Z: 16 19.473 2.044 0.663 0.848 0.933 0.800 CB 1.176 16 residues pruned to eliminate duplicates Z: 17 19.941 2.057 0.644 0.900 0.938 0.875 CB 1.123 17 residues pruned to eliminate duplicates Z: 36 24.806 1.826 0.754 0.674 0.914 0.629 CB 1.220 36 residues pruned to eliminate duplicates Z: 22 16.585 2.040 0.599 0.799 0.905 0.619 CB 0.944 22 residues pruned to eliminate duplicates Z: 17 17.491 2.068 0.517 0.789 0.938 0.688 CB 1.154 17 residues pruned to eliminate duplicates Z: 18 19.546 2.020 0.776 0.851 0.941 0.765 CB 1.039 18 residues pruned to eliminate duplicates Z: 32 27.187 2.000 0.499 0.772 1.000 0.677 CB 1.280 32 residues pruned to eliminate duplicates Z: 41 28.414 1.875 0.758 0.724 0.900 0.600 CB 1.237 45 residues pruned to eliminate duplicates Z: 22 23.661 1.815 0.803 0.811 0.952 0.810 CB 1.263 22 residues pruned to eliminate duplicates Z: 20 21.876 1.872 0.595 0.792 1.000 0.632 CB 1.300 20 residues pruned to eliminate duplicates Z: 20 21.889 1.904 0.741 0.757 0.947 0.684 CB 1.272 20 residues pruned to eliminate duplicates Z: 20 20.863 1.891 0.510 0.782 1.000 0.842 CB 1.307 20 residues pruned to eliminate duplicates Z: 18 22.352 1.887 0.645 0.842 0.941 0.882 CB 1.383 18 residues pruned to eliminate duplicates Z: 21 21.117 1.904 0.617 0.759 0.950 0.700 CB 1.283 21 residues pruned to eliminate duplicates Z: 13 18.579 1.935 0.713 0.747 1.000 0.750 CB 1.298 13 residues pruned to eliminate duplicates Z: 18 25.174 1.893 0.798 0.843 1.000 0.765 CB 1.335 18 residues pruned to eliminate duplicates Z: 22 17.637 1.857 0.466 0.701 0.905 0.667 CB 1.301 22 residues pruned to eliminate duplicates Z: 22 19.441 1.845 0.577 0.758 0.857 0.667 CB 1.352 22 residues pruned to eliminate duplicates Z: 40 31.734 1.934 0.856 0.818 0.923 0.641 CB 1.163 40 residues pruned to eliminate duplicates Z: 15 23.742 1.990 0.629 0.909 1.000 0.786 CB 1.390 15 residues pruned to eliminate duplicates Z: 35 28.389 1.990 0.825 0.804 0.882 0.647 CB 1.165 35 residues pruned to eliminate duplicates Z: 14 24.534 1.959 0.670 0.927 1.000 1.000 CB 1.458 14 residues pruned to eliminate duplicates Z: 17 25.400 1.924 0.709 0.809 1.000 0.688 CB 1.476 16 residues pruned to eliminate duplicates Z: 20 24.406 1.832 0.856 0.836 0.947 0.789 CB 1.301 20 residues pruned to eliminate duplicates Z: 19 27.081 1.874 0.768 0.843 1.000 0.722 CB 1.435 18 residues pruned to eliminate duplicates Z: 19 29.954 1.918 0.883 0.893 0.944 0.778 CB 1.486 19 residues pruned to eliminate duplicates Z: 18 25.979 1.904 0.783 0.829 0.941 0.647 CB 1.484 18 residues pruned to eliminate duplicates Z: 12 10.902 1.887 0.520 0.584 0.909 0.727 CB 1.163 12 residues pruned to eliminate duplicates Z: 17 17.468 1.913 0.422 0.804 1.000 0.812 CB 1.232 17 residues pruned to eliminate duplicates Z: 32 21.650 1.887 0.771 0.698 0.903 0.710 CB 1.075 32 residues pruned to eliminate duplicates Z: 15 19.863 1.939 0.542 0.925 1.000 1.000 CB 1.246 15 residues pruned to eliminate duplicates Z: 17 19.209 1.901 0.416 0.800 1.000 0.875 CB 1.372 17 residues pruned to eliminate duplicates Z: 26 21.757 1.847 0.718 0.701 0.880 0.640 CB 1.297 26 residues pruned to eliminate duplicates Z: 37 27.954 1.851 0.835 0.701 0.917 0.556 CB 1.246 36 residues pruned to eliminate duplicates Z: 16 21.735 1.976 0.448 0.923 1.000 0.933 CB 1.379 16 residues pruned to eliminate duplicates Z: 18 18.166 1.864 0.603 0.802 0.941 0.647 CB 1.203 18 residues pruned to eliminate duplicates Z: 19 16.719 1.834 0.584 0.705 0.944 0.778 CB 1.192 19 residues pruned to eliminate duplicates Z: 17 22.082 1.928 0.573 0.880 1.000 0.812 CB 1.319 16 residues pruned to eliminate duplicates Z: 18 25.671 1.872 0.731 0.919 1.000 0.824 CB 1.354 17 residues pruned to eliminate duplicates Z: 17 23.288 1.890 0.673 0.885 1.000 0.750 CB 1.330 17 residues pruned to eliminate duplicates Z: 18 23.472 1.917 0.668 0.872 1.000 0.647 CB 1.297 18 residues pruned to eliminate duplicates Z: 33 23.983 1.828 0.786 0.777 0.906 0.656 CB 1.122 33 residues pruned to eliminate duplicates Z: 19 24.061 1.861 0.710 0.852 1.000 0.722 CB 1.318 19 residues pruned to eliminate duplicates Z: 24 13.361 1.620 0.734 0.568 0.826 0.609 CB 1.124 24 residues pruned to eliminate duplicates Z: 18 19.562 1.861 0.783 0.683 1.000 0.706 CB 1.208 16 residues pruned to eliminate duplicates Z: 22 27.631 1.923 0.598 0.902 1.000 0.762 CB 1.400 22 residues pruned to eliminate duplicates Z: 24 21.634 1.910 0.704 0.795 0.957 0.739 CB 1.119 24 residues pruned to eliminate duplicates Z: 15 16.388 2.034 0.532 0.654 0.929 0.643 CB 1.311 15 residues pruned to eliminate duplicates Z: 15 15.884 1.996 0.503 0.661 0.929 0.643 CB 1.313 15 residues pruned to eliminate duplicates Z: 23 24.464 1.988 0.709 0.828 0.909 0.636 CB 1.272 23 residues pruned to eliminate duplicates Z: 16 16.953 1.967 0.611 0.662 0.933 0.733 CB 1.274 16 residues pruned to eliminate duplicates Z: 22 30.819 1.969 0.812 0.891 1.000 0.762 CB 1.356 24 residues pruned to eliminate duplicates Z: 21 26.896 1.992 0.826 0.914 1.000 0.500 CB 1.169 21 residues pruned to eliminate duplicates Z: 15 29.438 1.996 1.023 0.901 1.000 0.714 CB 1.391 15 residues pruned to eliminate duplicates Z: 20 21.201 1.962 0.942 0.731 0.842 0.632 CB 1.232 20 residues pruned to eliminate duplicates Z: 26 25.153 1.935 0.978 0.781 0.960 0.760 CB 1.068 24 residues pruned to eliminate duplicates Z: 22 34.124 1.979 0.967 0.897 1.000 0.714 CB 1.370 24 residues pruned to eliminate duplicates Z: 21 29.086 2.011 0.982 0.929 0.900 0.550 CB 1.269 21 residues pruned to eliminate duplicates Z: 31 18.442 1.841 1.014 0.599 0.733 0.533 CB 1.127 31 residues pruned to eliminate duplicates Z: 22 24.978 1.894 1.123 0.696 0.905 0.524 CB 1.253 22 residues pruned to eliminate duplicates Z: 22 20.052 1.818 1.034 0.717 0.857 0.476 CB 1.135 22 residues pruned to eliminate duplicates Z: 25 20.277 1.927 0.937 0.770 0.917 0.708 CB 0.953 25 residues pruned to eliminate duplicates Z: 16 30.908 2.004 1.046 0.928 1.000 0.800 CB 1.363 16 residues pruned to eliminate duplicates Z: 10 13.930 2.011 0.451 0.740 1.000 0.889 CB 1.283 10 residues pruned to eliminate duplicates Z: 18 18.643 1.957 0.484 0.759 0.941 0.824 CB 1.314 18 residues pruned to eliminate duplicates Z: 17 28.940 2.097 0.636 0.913 1.000 1.000 CB 1.492 17 residues pruned to eliminate duplicates Z: 14 16.657 1.989 0.629 0.765 0.923 0.923 CB 1.221 14 residues pruned to eliminate duplicates Z: 23 22.430 1.989 0.533 0.851 0.955 0.818 CB 1.216 20 residues pruned to eliminate duplicates Z: 22 28.450 1.964 0.671 0.911 1.000 0.857 CB 1.341 22 residues pruned to eliminate duplicates Z: 18 26.298 2.078 0.736 0.865 0.941 0.882 CB 1.376 18 residues pruned to eliminate duplicates Z: 19 30.148 2.081 0.818 0.927 1.000 0.889 CB 1.316 19 residues pruned to eliminate duplicates Z: 27 23.817 1.932 0.718 0.755 0.923 0.808 CB 1.215 27 residues pruned to eliminate duplicates Z: 37 32.704 1.975 0.730 0.844 0.944 0.806 CB 1.257 37 residues pruned to eliminate duplicates Z: 21 28.825 2.018 0.736 0.945 0.950 0.950 CB 1.341 21 residues pruned to eliminate duplicates Z: 25 22.244 1.913 0.660 0.736 0.958 0.583 CB 1.207 23 residues pruned to eliminate duplicates Z: 18 30.131 2.037 0.965 0.915 0.941 0.647 CB 1.371 18 residues pruned to eliminate duplicates Z: 24 27.800 1.976 0.822 0.848 1.000 0.783 CB 1.194 25 residues pruned to eliminate duplicates Z: 22 31.453 1.966 0.954 0.903 0.952 0.810 CB 1.337 22 residues pruned to eliminate duplicates Z: 21 25.497 2.007 0.861 0.872 0.950 0.600 CB 1.171 21 residues pruned to eliminate duplicates Z: 20 28.962 2.055 0.929 0.909 0.947 0.684 CB 1.256 20 residues pruned to eliminate duplicates Z: 19 31.756 2.078 0.902 0.932 1.000 0.889 CB 1.323 19 residues pruned to eliminate duplicates Z: 21 33.465 2.033 0.856 0.933 1.000 0.750 CB 1.383 21 residues pruned to eliminate duplicates Z: 31 26.714 1.975 0.609 0.720 0.933 0.600 CB 1.348 36 residues pruned to eliminate duplicates Z: 19 26.713 2.043 0.571 0.902 1.000 0.889 CB 1.399 19 residues pruned to eliminate duplicates Z: 21 19.874 1.970 0.473 0.681 0.900 0.750 CB 1.441 21 residues pruned to eliminate duplicates Z: 31 28.288 2.015 0.588 0.744 0.933 0.667 CB 1.390 31 residues pruned to eliminate duplicates Z: 23 19.505 1.910 0.478 0.663 0.864 0.591 CB 1.467 23 residues pruned to eliminate duplicates Z: 22 21.689 1.974 0.506 0.700 1.000 0.714 CB 1.327 22 residues pruned to eliminate duplicates Z: 19 27.992 2.054 0.616 0.802 1.000 0.722 CB 1.527 19 residues pruned to eliminate duplicates Z: 23 18.737 1.930 0.546 0.673 1.000 0.591 CB 1.142 23 residues pruned to eliminate duplicates Z: 20 23.746 2.026 0.587 0.762 1.000 0.684 CB 1.343 20 residues pruned to eliminate duplicates Z: 32 30.735 1.992 0.792 0.707 0.968 0.742 CB 1.324 32 residues pruned to eliminate duplicates Z: 18 26.586 2.072 0.622 0.828 1.000 0.765 CB 1.445 18 residues pruned to eliminate duplicates Z: 19 25.197 2.022 0.613 0.776 1.000 0.722 CB 1.427 19 residues pruned to eliminate duplicates Z: 19 24.800 2.031 0.481 0.814 1.000 1.000 CB 1.478 19 residues pruned to eliminate duplicates Z: 19 28.219 2.055 0.690 0.811 1.000 0.889 CB 1.460 19 residues pruned to eliminate duplicates Z: 22 22.989 1.971 0.602 0.725 0.952 0.667 CB 1.362 22 residues pruned to eliminate duplicates Z: 32 32.159 2.001 0.764 0.789 0.903 0.806 CB 1.406 32 residues pruned to eliminate duplicates Z: 21 15.547 1.840 0.420 0.704 1.000 0.750 CB 1.105 21 residues pruned to eliminate duplicates Z: 10 8.656 1.619 0.544 0.448 0.889 0.333 CB 1.370 10 residues pruned to eliminate duplicates Z: 9 8.558 1.620 0.432 0.491 0.875 0.750 O 1.504 9 residues pruned to eliminate duplicates Z: 20 15.759 1.869 0.303 0.830 0.895 0.737 CB 1.248 22 residues pruned to eliminate duplicates Z: 20 18.423 1.865 0.323 0.903 1.000 0.947 CB 1.222 20 residues pruned to eliminate duplicates Z: 20 18.794 1.887 0.772 0.826 0.842 0.684 CB 1.154 20 residues pruned to eliminate duplicates Z: 21 21.382 1.907 0.627 0.891 0.950 0.900 CB 1.166 21 residues pruned to eliminate duplicates Z: 25 19.222 1.882 0.632 0.752 0.917 0.750 CB 1.113 25 residues pruned to eliminate duplicates Z: 22 22.977 1.912 0.657 0.861 0.952 0.714 CB 1.221 22 residues pruned to eliminate duplicates Z: 21 24.584 1.931 0.727 0.865 1.000 0.800 CB 1.208 21 residues pruned to eliminate duplicates Z: 21 25.878 1.900 0.669 0.916 1.000 0.900 CB 1.289 20 residues pruned to eliminate duplicates Z: 22 22.778 1.869 0.694 0.884 0.952 0.857 CB 1.191 22 residues pruned to eliminate duplicates Z: 25 18.986 1.881 0.668 0.755 0.833 0.708 CB 1.181 25 residues pruned to eliminate duplicates Z: 22 20.501 1.911 0.803 0.798 0.905 0.667 CB 1.106 22 residues pruned to eliminate duplicates Z: 34 21.008 1.827 0.655 0.764 0.879 0.636 CB 1.089 34 residues pruned to eliminate duplicates Z: 24 21.818 1.871 0.686 0.817 0.957 0.696 CB 1.146 24 residues pruned to eliminate duplicates Z: 26 20.352 1.844 0.789 0.681 0.880 0.600 CB 1.188 26 residues pruned to eliminate duplicates Z: 25 17.594 1.835 0.802 0.689 0.833 0.500 CB 1.096 25 residues pruned to eliminate duplicates Z: 17 17.001 1.893 0.819 0.719 0.875 0.438 CB 1.158 17 residues pruned to eliminate duplicates Z: 50 24.969 1.775 0.663 0.674 0.898 0.633 CB 1.146 52 residues pruned to eliminate duplicates Z: 24 27.587 1.844 0.771 0.878 1.000 0.783 CB 1.279 22 residues pruned to eliminate duplicates Z: 23 27.703 1.857 0.741 0.932 1.000 0.909 CB 1.276 23 residues pruned to eliminate duplicates Z: 25 19.048 1.826 0.793 0.777 0.792 0.583 CB 1.174 25 residues pruned to eliminate duplicates Z: 17 15.848 1.874 0.734 0.798 0.875 0.750 CB 1.073 17 residues pruned to eliminate duplicates Z: 17 20.729 1.948 0.510 0.931 1.000 0.938 CB 1.230 18 residues pruned to eliminate duplicates Z: 19 15.338 1.856 0.690 0.875 0.889 0.722 CB 0.943 19 residues pruned to eliminate duplicates Z: 15 22.462 1.936 0.882 0.849 1.000 0.929 CB 1.221 15 residues pruned to eliminate duplicates Z: 17 17.595 1.880 0.657 0.866 0.938 0.812 CB 1.102 17 residues pruned to eliminate duplicates Z: 17 16.876 1.897 0.545 0.803 0.938 0.750 CB 1.179 17 residues pruned to eliminate duplicates Z: 16 18.905 1.934 0.862 0.889 0.867 0.800 CB 1.126 16 residues pruned to eliminate duplicates Z: 18 15.971 1.913 0.731 0.796 0.824 0.706 CB 1.096 18 residues pruned to eliminate duplicates Z: 17 18.942 1.906 0.786 0.798 0.938 0.750 CB 1.143 17 residues pruned to eliminate duplicates Z: 16 20.749 1.940 0.965 0.872 0.867 0.733 CB 1.182 16 residues pruned to eliminate duplicates Z: 15 20.362 1.969 0.989 0.927 0.929 0.929 CB 1.048 15 residues pruned to eliminate duplicates Z: 18 23.845 1.940 0.833 0.949 1.000 1.000 CB 1.123 18 residues pruned to eliminate duplicates Z: 19 25.987 1.914 0.792 0.912 1.000 0.833 CB 1.265 19 residues pruned to eliminate duplicates Z: 19 23.384 1.926 0.877 0.918 1.000 0.889 CB 1.075 19 residues pruned to eliminate duplicates Z: 21 21.078 1.903 0.800 0.833 0.950 0.800 CB 1.087 21 residues pruned to eliminate duplicates Z: 19 23.474 1.931 0.976 0.913 1.000 0.667 CB 1.026 19 residues pruned to eliminate duplicates Z: 18 23.773 1.919 1.128 0.927 1.000 0.824 CB 0.989 18 residues pruned to eliminate duplicates Z: 20 24.751 1.886 0.931 0.918 1.000 0.737 CB 1.100 20 residues pruned to eliminate duplicates Z: 9 5.270 1.854 0.619 0.761 0.875 0.625 CB 0.563 9 residues pruned to eliminate duplicates Z: 17 7.041 1.623 0.812 0.475 0.875 0.562 CB 0.702 15 residues pruned to eliminate duplicates Z: 7 5.270 1.968 1.021 0.803 0.833 0.667 CB 0.498 7 residues pruned to eliminate duplicates Z: 20 10.888 1.906 0.456 0.780 0.895 0.842 CB 0.786 20 residues pruned to eliminate duplicates Z: 10 8.387 1.752 0.852 0.697 1.000 0.556 CB 0.720 10 residues pruned to eliminate duplicates Z: 19 13.795 1.986 0.788 0.716 0.944 0.722 CB 0.797 19 residues pruned to eliminate duplicates Z: 24 10.402 1.941 0.578 0.794 0.913 0.696 CB 0.599 24 residues pruned to eliminate duplicates Z: 20 15.196 1.967 0.808 0.839 0.947 0.895 CB 0.773 20 residues pruned to eliminate duplicates Z: 24 13.585 1.874 0.709 0.759 0.870 0.652 CB 0.808 24 residues pruned to eliminate duplicates Z: 20 17.338 1.971 0.912 0.835 0.947 0.895 CB 0.834 20 residues pruned to eliminate duplicates Z: 17 17.452 2.109 0.954 0.925 1.000 0.938 CB 0.743 17 residues pruned to eliminate duplicates Z: 26 15.126 1.850 0.968 0.745 0.920 0.680 CB 0.726 26 residues pruned to eliminate duplicates Z: 40 17.381 1.847 0.816 0.623 0.846 0.590 CB 0.873 40 residues pruned to eliminate duplicates Z: 8 14.339 2.239 1.110 0.846 1.000 0.714 CB 0.852 8 residues pruned to eliminate duplicates Z: 21 16.185 1.918 0.971 0.813 0.950 0.800 CB 0.768 21 residues pruned to eliminate duplicates Z: 38 27.561 1.963 0.712 0.779 0.946 0.730 CB 1.114 41 residues pruned to eliminate duplicates Z: 36 32.628 2.016 0.821 0.829 0.886 0.743 CB 1.277 36 residues pruned to eliminate duplicates Z: 13 12.321 1.941 1.085 0.614 0.667 0.583 CB 1.184 13 residues pruned to eliminate duplicates Z: 40 33.729 2.020 0.978 0.815 0.923 0.769 CB 1.113 39 residues pruned to eliminate duplicates Z: 38 31.351 1.961 0.874 0.803 0.919 0.730 CB 1.172 38 residues pruned to eliminate duplicates Z: 41 35.270 1.994 1.070 0.795 0.925 0.600 CB 1.128 40 residues pruned to eliminate duplicates Z: 19 30.144 2.066 0.547 0.915 1.000 0.833 CB 1.572 19 residues pruned to eliminate duplicates Z: 42 33.117 2.010 1.022 0.778 0.878 0.659 CB 1.134 42 residues pruned to eliminate duplicates Z: 19 34.647 2.080 0.952 0.809 0.944 0.611 CB 1.627 20 residues pruned to eliminate duplicates Z: 19 32.245 2.035 0.909 0.895 0.944 0.667 CB 1.485 19 residues pruned to eliminate duplicates Z: 21 23.660 2.067 0.704 0.685 0.850 0.600 CB 1.491 21 residues pruned to eliminate duplicates Z: 21 27.317 2.112 0.703 0.723 0.850 0.600 CB 1.634 21 residues pruned to eliminate duplicates Z: 22 27.231 2.082 0.841 0.713 0.857 0.667 CB 1.491 22 residues pruned to eliminate duplicates Z: 20 29.387 2.128 0.806 0.761 0.947 0.737 CB 1.468 20 residues pruned to eliminate duplicates Z: 21 27.347 2.081 0.834 0.742 0.900 0.650 CB 1.433 21 residues pruned to eliminate duplicates Z: 41 34.214 2.031 0.933 0.804 0.950 0.700 CB 1.112 41 residues pruned to eliminate duplicates Z: 19 34.586 2.101 0.760 0.881 0.944 0.722 CB 1.690 19 residues pruned to eliminate duplicates Z: 40 33.508 1.999 0.880 0.760 0.923 0.590 CB 1.228 40 residues pruned to eliminate duplicates Z: 42 35.441 1.986 0.982 0.799 0.951 0.634 CB 1.138 42 residues pruned to eliminate duplicates Z: 43 21.149 1.935 0.772 0.653 0.881 0.476 CB 0.937 43 residues pruned to eliminate duplicates Z: 21 24.476 2.046 0.628 0.913 0.950 0.800 CB 1.225 21 residues pruned to eliminate duplicates Z: 40 32.360 2.031 0.709 0.802 0.923 0.744 CB 1.242 41 residues pruned to eliminate duplicates Z: 24 24.312 1.963 0.566 0.912 1.000 0.913 CB 1.167 24 residues pruned to eliminate duplicates Z: 23 23.561 2.011 0.720 0.848 0.909 0.818 CB 1.185 23 residues pruned to eliminate duplicates Z: 22 25.271 1.952 0.633 0.770 1.000 0.762 CB 1.362 22 residues pruned to eliminate duplicates Z: 19 24.980 2.016 0.827 0.887 1.000 0.889 CB 1.152 19 residues pruned to eliminate duplicates Z: 22 26.345 2.021 0.700 0.931 1.000 0.905 CB 1.169 22 residues pruned to eliminate duplicates Z: 23 26.941 2.045 0.648 0.849 0.955 0.864 CB 1.323 23 residues pruned to eliminate duplicates Z: 22 29.196 2.030 0.817 0.922 1.000 0.857 CB 1.214 22 residues pruned to eliminate duplicates Z: 14 25.401 2.051 0.898 0.786 0.923 0.769 CB 1.525 14 residues pruned to eliminate duplicates Z: 16 20.799 2.130 0.728 0.731 0.933 0.800 CB 1.270 16 residues pruned to eliminate duplicates Z: 30 28.535 2.040 0.727 0.747 0.931 0.897 CB 1.296 30 residues pruned to eliminate duplicates Z: 25 30.289 2.081 0.778 0.866 0.958 0.875 CB 1.277 25 residues pruned to eliminate duplicates Z: 25 33.986 2.044 0.887 0.891 0.958 0.792 CB 1.349 25 residues pruned to eliminate duplicates Z: 30 26.499 1.974 0.861 0.783 0.931 0.759 CB 1.121 30 residues pruned to eliminate duplicates Z: 25 30.245 2.060 0.832 0.840 0.958 0.792 CB 1.274 25 residues pruned to eliminate duplicates Z: 24 33.952 2.038 0.950 0.891 1.000 0.783 CB 1.281 24 residues pruned to eliminate duplicates Z: 23 32.188 2.058 0.864 0.922 0.955 0.909 CB 1.318 23 residues pruned to eliminate duplicates Z: 28 28.338 1.952 0.932 0.794 0.963 0.704 CB 1.160 28 residues pruned to eliminate duplicates Z: 29 26.709 1.933 0.826 0.797 0.893 0.643 CB 1.235 29 residues pruned to eliminate duplicates Z: 40 34.399 2.046 0.742 0.823 0.949 0.846 CB 1.231 40 residues pruned to eliminate duplicates Z: 19 13.828 1.868 0.194 0.742 0.944 0.778 CB 1.247 19 residues pruned to eliminate duplicates Z: 14 17.597 2.014 0.267 0.916 1.000 1.000 CB 1.351 14 residues pruned to eliminate duplicates Z: 14 18.220 2.021 0.288 0.922 1.000 0.846 CB 1.366 14 residues pruned to eliminate duplicates Z: 16 16.036 1.964 0.317 0.899 1.000 0.933 CB 1.144 16 residues pruned to eliminate duplicates Z: 16 16.628 2.005 0.194 0.830 1.000 0.867 CB 1.348 16 residues pruned to eliminate duplicates Z: 16 18.407 2.007 0.301 0.845 1.000 0.933 CB 1.353 16 residues pruned to eliminate duplicates Z: 15 17.194 1.995 0.300 0.847 1.000 0.786 CB 1.315 15 residues pruned to eliminate duplicates Z: 16 17.987 1.972 0.293 0.845 1.000 0.933 CB 1.354 16 residues pruned to eliminate duplicates Z: 16 20.359 1.998 0.440 0.843 1.000 0.933 CB 1.361 16 residues pruned to eliminate duplicates Z: 15 20.557 1.991 0.517 0.860 1.000 0.929 CB 1.338 15 residues pruned to eliminate duplicates Z: 16 21.010 1.994 0.447 0.854 1.000 1.000 CB 1.389 16 residues pruned to eliminate duplicates Z: 16 19.191 1.933 0.574 0.790 0.933 0.533 CB 1.352 16 residues pruned to eliminate duplicates Z: 16 18.868 1.916 0.514 0.790 0.933 0.867 CB 1.394 16 residues pruned to eliminate duplicates Z: 16 19.837 1.956 0.488 0.866 1.000 0.800 CB 1.288 16 residues pruned to eliminate duplicates Z: 23 17.973 1.880 0.450 0.708 0.955 0.818 CB 1.219 23 residues pruned to eliminate duplicates Z: 17 18.156 1.834 0.561 0.865 0.938 0.750 CB 1.239 17 residues pruned to eliminate duplicates Z: 19 18.437 1.916 0.455 0.788 0.889 0.667 CB 1.362 19 residues pruned to eliminate duplicates Z: 40 28.968 1.956 0.791 0.791 0.949 0.641 CB 1.081 40 residues pruned to eliminate duplicates Z: 28 24.744 1.981 1.012 0.783 0.889 0.630 CB 1.048 28 residues pruned to eliminate duplicates Z: 44 27.182 1.914 0.795 0.741 0.884 0.721 CB 1.100 44 residues pruned to eliminate duplicates Z: 39 28.958 2.011 0.712 0.839 0.947 0.868 CB 1.076 39 residues pruned to eliminate duplicates Z: 19 22.525 1.907 0.690 0.793 0.889 0.667 CB 1.433 19 residues pruned to eliminate duplicates Z: 41 30.572 1.929 0.900 0.767 0.925 0.700 CB 1.126 41 residues pruned to eliminate duplicates Z: 42 27.368 1.909 0.873 0.767 0.951 0.537 CB 0.991 42 residues pruned to eliminate duplicates Z: 14 17.050 1.887 0.783 0.766 0.846 0.462 CB 1.312 14 residues pruned to eliminate duplicates Z: 26 17.229 1.840 0.739 0.635 0.800 0.480 CB 1.185 26 residues pruned to eliminate duplicates Z: 42 32.523 1.963 0.876 0.779 0.976 0.585 CB 1.105 42 residues pruned to eliminate duplicates Z: 21 18.908 1.823 0.753 0.742 0.950 0.400 CB 1.122 21 residues pruned to eliminate duplicates Z: 24 17.912 1.828 0.819 0.621 0.870 0.478 CB 1.152 24 residues pruned to eliminate duplicates Z: 39 29.310 1.921 0.944 0.760 0.895 0.474 CB 1.129 39 residues pruned to eliminate duplicates Z: 19 25.917 1.897 0.877 0.808 1.000 0.333 CB 1.312 19 residues pruned to eliminate duplicates Z: 19 24.648 1.916 0.798 0.818 0.944 0.444 CB 1.355 19 residues pruned to eliminate duplicates Z: 42 31.372 1.921 0.982 0.813 0.927 0.585 CB 1.057 42 residues pruned to eliminate duplicates Z: 16 24.528 1.927 0.992 0.764 1.000 0.667 CB 1.306 16 residues pruned to eliminate duplicates Z: 14 26.912 2.054 0.769 0.818 1.000 0.769 CB 1.559 14 residues pruned to eliminate duplicates Z: 38 32.495 1.969 0.714 0.725 0.919 0.649 CB 1.406 38 residues pruned to eliminate duplicates Z: 19 20.644 1.889 0.760 0.732 0.889 0.667 CB 1.337 19 residues pruned to eliminate duplicates Z: 19 22.616 1.976 0.646 0.775 0.889 0.833 CB 1.446 19 residues pruned to eliminate duplicates Z: 14 30.462 2.056 0.845 0.849 1.000 0.846 CB 1.652 14 residues pruned to eliminate duplicates Z: 17 23.204 1.970 0.609 0.804 0.938 0.812 CB 1.497 17 residues pruned to eliminate duplicates Z: 21 25.394 1.943 0.701 0.752 0.950 0.750 CB 1.445 21 residues pruned to eliminate duplicates Z: 39 33.313 1.963 0.748 0.744 0.921 0.737 CB 1.374 39 residues pruned to eliminate duplicates Z: 18 25.491 2.003 0.872 0.777 0.882 0.706 CB 1.464 18 residues pruned to eliminate duplicates Z: 16 30.213 2.048 0.988 0.889 0.933 0.733 CB 1.478 16 residues pruned to eliminate duplicates Z: 18 13.854 1.859 0.541 0.806 0.941 0.706 CB 0.954 18 residues pruned to eliminate duplicates Z: 30 14.006 1.694 0.450 0.511 0.897 0.517 CB 1.168 30 residues pruned to eliminate duplicates Z: 23 22.763 1.958 0.661 0.884 0.909 0.864 CB 1.186 23 residues pruned to eliminate duplicates Z: 15 12.536 1.853 0.398 0.780 0.929 0.786 CB 1.088 15 residues pruned to eliminate duplicates Z: 23 24.423 1.931 0.670 0.826 0.955 0.727 CB 1.276 23 residues pruned to eliminate duplicates Z: 25 18.810 1.923 0.492 0.779 0.958 0.792 CB 1.092 25 residues pruned to eliminate duplicates Z: 20 20.679 1.942 0.544 0.899 1.000 0.895 CB 1.130 20 residues pruned to eliminate duplicates Z: 21 18.538 1.856 0.709 0.803 0.950 0.750 CB 1.055 21 residues pruned to eliminate duplicates Z: 23 23.842 1.982 0.679 0.876 0.955 0.864 CB 1.162 23 residues pruned to eliminate duplicates Z: 23 22.031 1.952 0.792 0.877 0.955 0.818 CB 1.021 23 residues pruned to eliminate duplicates Z: 22 26.811 2.004 0.759 0.923 1.000 0.619 CB 1.166 22 residues pruned to eliminate duplicates Z: 18 22.491 2.095 0.823 0.872 0.882 0.706 CB 1.179 18 residues pruned to eliminate duplicates Z: 18 22.272 2.086 0.779 0.826 0.882 0.471 CB 1.244 18 residues pruned to eliminate duplicates Z: 15 15.665 2.026 0.716 0.646 0.786 0.643 CB 1.336 15 residues pruned to eliminate duplicates Z: 23 24.444 1.971 0.881 0.853 0.955 0.818 CB 1.089 24 residues pruned to eliminate duplicates Z: 23 25.468 1.932 0.833 0.941 1.000 0.727 CB 1.063 23 residues pruned to eliminate duplicates Z: 28 21.411 1.867 0.910 0.752 0.926 0.630 CB 0.996 28 residues pruned to eliminate duplicates Z: 18 22.504 2.039 1.140 0.803 0.882 0.353 CB 1.088 18 residues pruned to eliminate duplicates Z: 19 22.223 1.950 0.961 0.859 0.944 0.889 CB 1.067 19 residues pruned to eliminate duplicates Z: 17 26.167 2.081 0.979 0.867 1.000 0.688 CB 1.162 17 residues pruned to eliminate duplicates Z: 20 29.830 2.055 1.012 0.914 1.000 0.579 CB 1.171 20 residues pruned to eliminate duplicates Z: 14 4.860 1.685 0.357 0.393 0.769 0.385 CB 0.858 14 residues pruned to eliminate duplicates Z: 15 10.779 1.717 0.802 0.616 0.786 0.429 CB 1.062 15 residues pruned to eliminate duplicates Z: 28 12.756 1.722 0.582 0.551 0.815 0.630 CB 1.053 28 residues pruned to eliminate duplicates Z: 22 20.780 1.852 0.749 0.847 0.952 0.857 CB 1.091 22 residues pruned to eliminate duplicates Z: 14 15.516 1.731 0.916 0.774 1.000 0.538 CB 1.019 13 residues pruned to eliminate duplicates Z: 13 18.639 1.787 1.095 0.862 1.000 0.750 CB 1.055 13 residues pruned to eliminate duplicates Z: 7 10.390 1.566 1.453 0.728 0.833 0.667 CB 1.079 7 residues pruned to eliminate duplicates Z: 26 18.760 1.820 0.822 0.738 0.880 0.680 CB 1.039 26 residues pruned to eliminate duplicates Z: 15 16.308 1.915 1.029 0.853 0.929 0.786 CB 0.893 15 residues pruned to eliminate duplicates Z: 23 21.697 1.868 0.917 0.830 1.000 0.591 CB 0.971 23 residues pruned to eliminate duplicates Z: 26 23.256 1.831 0.954 0.742 0.960 0.760 CB 1.090 27 residues pruned to eliminate duplicates Z: 22 23.953 1.817 1.136 0.924 0.952 0.857 CB 0.993 22 residues pruned to eliminate duplicates Z: 17 16.506 1.931 0.869 0.803 0.938 0.750 CB 0.936 17 residues pruned to eliminate duplicates Z: 21 15.419 1.865 0.844 0.634 0.800 0.550 CB 1.105 21 residues pruned to eliminate duplicates Z: 29 23.306 1.897 0.794 0.710 0.964 0.643 CB 1.109 29 residues pruned to eliminate duplicates Z: 20 18.002 1.901 0.953 0.640 0.895 0.579 CB 1.091 20 residues pruned to eliminate duplicates Z: 15 21.241 1.983 0.951 0.880 0.929 0.714 CB 1.145 15 residues pruned to eliminate duplicates Z: 17 24.893 1.886 1.150 0.842 1.000 0.812 CB 1.144 17 residues pruned to eliminate duplicates Z: 16 17.224 1.886 0.998 0.835 0.933 0.600 CB 0.947 16 residues pruned to eliminate duplicates Z: 20 15.525 1.921 0.513 0.675 0.895 0.632 CB 1.166 20 residues pruned to eliminate duplicates Z: 14 20.223 2.079 0.469 0.855 0.846 0.769 CB 1.602 14 residues pruned to eliminate duplicates Z: 15 19.763 2.026 0.538 0.899 0.929 0.786 CB 1.305 15 residues pruned to eliminate duplicates Z: 17 16.911 1.975 0.366 0.703 0.875 0.500 CB 1.487 17 residues pruned to eliminate duplicates Z: 93 37.371 1.874 0.715 0.697 0.880 0.685 CB 1.150 110 residues pruned to eliminate duplicates Z: 21 24.760 1.979 0.469 0.898 0.950 0.750 CB 1.434 21 residues pruned to eliminate duplicates Z: 19 26.942 2.065 0.807 0.895 0.889 0.667 CB 1.372 19 residues pruned to eliminate duplicates Z: 21 24.327 2.013 0.628 0.871 0.900 0.650 CB 1.345 21 residues pruned to eliminate duplicates Z: 66 32.380 1.875 0.837 0.718 0.908 0.677 CB 1.055 66 residues pruned to eliminate duplicates Z: 64 38.724 1.948 0.860 0.768 0.921 0.571 CB 1.154 64 residues pruned to eliminate duplicates Z: 21 28.455 2.007 0.711 0.842 0.950 0.700 CB 1.453 21 residues pruned to eliminate duplicates Z: 66 37.339 1.939 0.780 0.764 0.938 0.692 CB 1.131 66 residues pruned to eliminate duplicates Z: 20 29.444 2.014 0.886 0.897 0.947 0.684 CB 1.343 20 residues pruned to eliminate duplicates Z: 17 30.740 2.078 0.873 0.910 1.000 0.750 CB 1.400 17 residues pruned to eliminate duplicates Z: 20 31.600 2.037 0.907 0.897 0.947 0.789 CB 1.410 20 residues pruned to eliminate duplicates Z: 20 31.683 2.023 1.061 0.829 1.000 0.684 CB 1.311 20 residues pruned to eliminate duplicates Z: 21 28.584 2.022 0.925 0.858 0.900 0.550 CB 1.343 21 residues pruned to eliminate duplicates Z: 23 25.388 1.923 0.880 0.773 0.909 0.455 CB 1.293 23 residues pruned to eliminate duplicates Z: 67 38.179 1.895 0.949 0.762 0.924 0.530 CB 1.091 67 residues pruned to eliminate duplicates Z: 10 11.331 1.586 0.942 0.553 0.889 0.778 N 1.311 10 residues pruned to eliminate duplicates Z: 21 12.723 1.726 0.259 0.728 0.850 0.750 CB 1.254 16 residues pruned to eliminate duplicates Z: 16 17.223 1.771 0.430 0.881 1.000 0.800 CB 1.272 16 residues pruned to eliminate duplicates Z: 33 20.036 1.735 0.569 0.725 0.906 0.812 CB 1.172 36 residues pruned to eliminate duplicates Z: 14 15.796 1.761 0.521 0.871 1.000 0.846 CB 1.194 14 residues pruned to eliminate duplicates Z: 37 20.808 1.713 0.544 0.733 0.917 0.694 CB 1.160 37 residues pruned to eliminate duplicates Z: 14 17.529 1.753 0.591 0.894 0.923 0.769 CB 1.355 16 residues pruned to eliminate duplicates Z: 10 12.429 1.807 0.656 0.767 0.778 0.556 N 1.405 10 residues pruned to eliminate duplicates Z: 20 11.518 1.680 0.415 0.656 0.789 0.579 CB 1.218 20 residues pruned to eliminate duplicates Z: 36 23.823 1.735 0.571 0.801 0.914 0.857 CB 1.242 35 residues pruned to eliminate duplicates Z: 15 21.990 1.805 0.702 0.929 1.000 0.929 CB 1.338 15 residues pruned to eliminate duplicates Z: 20 14.201 1.744 0.365 0.689 0.895 0.684 CB 1.286 20 residues pruned to eliminate duplicates Z: 36 22.943 1.708 0.629 0.767 0.857 0.629 CB 1.284 36 residues pruned to eliminate duplicates Z: 15 16.701 1.787 0.582 0.877 0.929 0.857 CB 1.235 15 residues pruned to eliminate duplicates Z: 19 15.131 1.745 0.335 0.772 0.944 0.722 CB 1.275 19 residues pruned to eliminate duplicates Z: 17 12.123 1.767 0.682 0.476 0.812 0.375 CB 1.286 17 residues pruned to eliminate duplicates Z: 19 22.425 2.024 0.860 0.802 0.944 0.667 CB 1.142 19 residues pruned to eliminate duplicates Z: 22 23.366 2.039 0.525 0.808 0.952 0.857 CB 1.316 20 residues pruned to eliminate duplicates Z: 21 23.552 2.009 0.757 0.798 0.950 0.750 CB 1.211 21 residues pruned to eliminate duplicates Z: 20 22.219 1.981 0.625 0.870 0.895 0.842 CB 1.293 20 residues pruned to eliminate duplicates Z: 23 17.077 1.975 0.468 0.786 0.909 0.727 CB 1.074 23 residues pruned to eliminate duplicates Z: 28 16.445 1.767 0.622 0.561 0.926 0.444 CB 1.124 26 residues pruned to eliminate duplicates Z: 20 24.826 2.055 0.789 0.911 0.947 0.684 CB 1.159 20 residues pruned to eliminate duplicates Z: 24 24.653 1.975 0.759 0.771 0.957 0.783 CB 1.217 24 residues pruned to eliminate duplicates Z: 22 27.057 2.054 0.737 0.805 0.952 0.667 CB 1.331 22 residues pruned to eliminate duplicates Z: 27 19.911 1.899 0.670 0.710 0.885 0.692 CB 1.151 27 residues pruned to eliminate duplicates Z: 11 20.074 2.066 0.797 0.842 0.900 0.800 CB 1.416 11 residues pruned to eliminate duplicates Z: 13 14.008 1.959 0.677 0.769 0.750 0.417 CB 1.293 13 residues pruned to eliminate duplicates Z: 23 17.015 1.878 0.733 0.651 0.909 0.591 CB 1.066 23 residues pruned to eliminate duplicates Z: 19 24.595 2.001 0.929 0.877 0.889 0.667 CB 1.227 19 residues pruned to eliminate duplicates Z: 17 17.832 1.932 1.003 0.672 0.812 0.562 CB 1.210 17 residues pruned to eliminate duplicates Z: 14 15.819 1.853 1.013 0.794 0.923 0.769 CB 0.985 14 residues pruned to eliminate duplicates Z: 12 17.530 2.035 0.866 0.892 0.818 0.818 CB 1.223 12 residues pruned to eliminate duplicates Z: 29 23.684 1.899 0.785 0.714 0.893 0.643 CB 1.218 28 residues pruned to eliminate duplicates Z: 19 29.683 1.990 1.029 0.919 1.000 0.444 CB 1.221 19 residues pruned to eliminate duplicates Z: 20 16.332 1.893 0.538 0.793 0.895 0.684 CB 1.112 20 residues pruned to eliminate duplicates Z: 8 2.928 1.652 0.034 0.605 0.714 0.286 CB 0.821 8 residues pruned to eliminate duplicates Z: 8 7.468 1.785 0.465 0.674 0.714 0.286 CB 1.288 8 residues pruned to eliminate duplicates Z: 23 18.955 1.937 0.644 0.855 0.955 0.818 CB 0.981 23 residues pruned to eliminate duplicates Z: 22 25.111 2.005 0.770 0.861 0.952 0.810 CB 1.191 22 residues pruned to eliminate duplicates Z: 43 29.751 1.905 0.661 0.804 0.929 0.762 CB 1.198 43 residues pruned to eliminate duplicates Z: 36 34.121 2.004 0.851 0.818 0.971 0.829 CB 1.214 36 residues pruned to eliminate duplicates Z: 22 26.919 1.983 0.773 0.897 1.000 0.857 CB 1.196 22 residues pruned to eliminate duplicates Z: 25 28.826 1.994 0.752 0.829 1.000 0.792 CB 1.267 25 residues pruned to eliminate duplicates Z: 25 27.682 1.986 0.777 0.827 0.958 0.708 CB 1.259 25 residues pruned to eliminate duplicates Z: 23 29.152 2.012 0.877 0.863 0.909 0.682 CB 1.328 23 residues pruned to eliminate duplicates Z: 27 28.064 1.920 0.844 0.780 0.962 0.769 CB 1.263 27 residues pruned to eliminate duplicates Z: 22 29.541 1.999 0.891 0.898 0.952 0.762 CB 1.281 22 residues pruned to eliminate duplicates Z: 24 27.404 1.969 0.907 0.799 0.957 0.696 CB 1.225 24 residues pruned to eliminate duplicates Z: 44 31.624 1.949 0.740 0.801 0.884 0.674 CB 1.237 44 residues pruned to eliminate duplicates Z: 23 29.057 2.029 0.989 0.828 0.955 0.773 CB 1.212 23 residues pruned to eliminate duplicates Z: 29 26.863 1.987 0.864 0.825 0.893 0.750 CB 1.159 29 residues pruned to eliminate duplicates Z: 27 23.336 1.928 0.831 0.777 0.808 0.654 CB 1.257 27 residues pruned to eliminate duplicates Z: 27 25.669 1.933 0.870 0.802 0.923 0.808 CB 1.158 27 residues pruned to eliminate duplicates Z: 42 33.404 1.976 0.713 0.839 0.878 0.780 CB 1.311 42 residues pruned to eliminate duplicates Z: 37 34.735 1.981 0.833 0.825 0.972 0.778 CB 1.238 37 residues pruned to eliminate duplicates Z: 44 33.392 1.956 0.642 0.813 0.953 0.791 CB 1.267 44 residues pruned to eliminate duplicates Z: 46 32.782 1.941 0.654 0.792 0.956 0.778 CB 1.233 46 residues pruned to eliminate duplicates Z: 35 18.432 1.785 0.448 0.563 0.882 0.529 CB 1.305 35 residues pruned to eliminate duplicates Z: 37 34.098 1.997 0.763 0.851 0.972 0.778 CB 1.229 37 residues pruned to eliminate duplicates Z: 38 34.212 1.991 0.779 0.824 0.919 0.730 CB 1.305 38 residues pruned to eliminate duplicates Z: 43 34.008 1.933 0.758 0.789 0.905 0.714 CB 1.324 43 residues pruned to eliminate duplicates Z: 42 36.345 1.980 0.732 0.814 0.927 0.732 CB 1.360 42 residues pruned to eliminate duplicates Z: 41 40.071 1.996 0.815 0.873 0.950 0.750 CB 1.340 39 residues pruned to eliminate duplicates Z: 20 26.126 1.846 0.648 0.888 0.947 0.895 CB 1.499 20 residues pruned to eliminate duplicates Z: 52 31.249 1.884 0.715 0.685 0.941 0.725 CB 1.214 52 residues pruned to eliminate duplicates Z: 16 16.178 1.772 0.602 0.654 0.867 0.800 CB 1.472 16 residues pruned to eliminate duplicates Z: 43 36.815 1.967 0.792 0.818 0.929 0.786 CB 1.317 43 residues pruned to eliminate duplicates Z: 22 22.057 1.961 0.640 0.765 0.905 0.619 CB 1.307 22 residues pruned to eliminate duplicates Z: 45 37.817 1.932 0.855 0.821 0.955 0.727 CB 1.262 45 residues pruned to eliminate duplicates Z: 18 29.216 2.007 0.718 0.926 1.000 0.824 CB 1.442 18 residues pruned to eliminate duplicates Z: 20 25.633 1.843 0.720 0.942 1.000 0.737 CB 1.287 20 residues pruned to eliminate duplicates Z: 19 23.483 1.897 0.528 0.909 1.000 0.889 CB 1.355 19 residues pruned to eliminate duplicates Z: 24 20.621 1.884 0.762 0.708 0.783 0.565 CB 1.370 24 residues pruned to eliminate duplicates Z: 38 18.885 1.755 0.662 0.714 0.919 0.595 CB 0.954 40 residues pruned to eliminate duplicates Z: 17 15.784 1.736 0.689 0.895 1.000 0.688 CB 0.965 19 residues pruned to eliminate duplicates Z: 17 17.742 1.785 0.662 0.864 1.000 0.625 CB 1.097 18 residues pruned to eliminate duplicates Z: 12 14.880 1.788 0.681 0.893 1.000 0.818 CB 1.072 12 residues pruned to eliminate duplicates Z: 18 10.864 1.634 0.546 0.611 0.882 0.471 CB 1.064 18 residues pruned to eliminate duplicates Z: 35 22.270 1.757 0.782 0.758 0.941 0.441 CB 1.030 35 residues pruned to eliminate duplicates Z: 27 18.363 1.844 0.749 0.773 0.885 0.462 CB 0.992 27 residues pruned to eliminate duplicates Z: 31 20.665 1.809 0.708 0.784 0.933 0.667 CB 1.020 29 residues pruned to eliminate duplicates Z: 18 16.604 1.728 0.496 0.918 1.000 0.706 CB 1.099 18 residues pruned to eliminate duplicates Z: 18 13.623 1.759 0.462 0.855 0.941 0.706 CB 1.008 18 residues pruned to eliminate duplicates Z: 17 14.891 1.697 0.560 0.818 0.875 0.500 CB 1.219 17 residues pruned to eliminate duplicates Z: 18 15.638 1.694 0.566 0.790 0.941 0.353 CB 1.177 18 residues pruned to eliminate duplicates Z: 22 14.766 1.719 0.529 0.723 0.952 0.429 CB 1.053 22 residues pruned to eliminate duplicates Z: 17 16.045 1.776 0.703 0.847 0.875 0.312 CB 1.126 17 residues pruned to eliminate duplicates Z: 42 16.802 1.715 0.631 0.676 0.902 0.634 CB 0.884 42 residues pruned to eliminate duplicates Z: 21 13.448 1.770 0.475 0.721 0.850 0.450 CB 1.109 21 residues pruned to eliminate duplicates Z: 21 14.748 1.661 0.601 0.761 0.900 0.400 CB 1.093 21 residues pruned to eliminate duplicates Z: 27 8.538 1.549 0.493 0.384 0.808 0.385 CB 1.015 29 residues pruned to eliminate duplicates Z: 20 18.029 1.742 0.572 0.890 0.947 0.789 CB 1.148 20 residues pruned to eliminate duplicates Z: 14 12.107 1.643 0.547 0.598 1.000 0.538 CB 1.203 14 residues pruned to eliminate duplicates Z: 15 8.079 1.573 0.400 0.512 0.857 0.571 CB 1.130 15 residues pruned to eliminate duplicates Z: 28 17.535 1.678 0.613 0.715 0.926 0.630 CB 1.108 28 residues pruned to eliminate duplicates Z: 17 20.233 1.774 0.804 0.810 0.938 0.750 CB 1.287 17 residues pruned to eliminate duplicates Z: 10 12.832 1.603 0.762 0.777 1.000 0.556 CB 1.186 10 residues pruned to eliminate duplicates Z: 26 17.975 1.668 0.796 0.739 0.880 0.680 CB 1.101 26 residues pruned to eliminate duplicates Z: 15 18.882 1.753 0.951 0.881 1.000 0.786 CB 1.068 15 residues pruned to eliminate duplicates Z: 27 15.513 1.697 0.679 0.663 0.846 0.538 CB 1.085 27 residues pruned to eliminate duplicates Z: 17 16.190 1.760 0.685 0.706 0.875 0.438 CB 1.294 17 residues pruned to eliminate duplicates Z: 40 21.475 1.763 0.586 0.701 0.897 0.641 CB 1.141 45 residues pruned to eliminate duplicates Z: 19 12.177 1.753 0.790 0.853 0.722 0.500 CB 0.936 19 residues pruned to eliminate duplicates Z: 15 17.164 1.825 1.020 0.822 0.857 0.643 CB 1.098 15 residues pruned to eliminate duplicates Z: 25 11.506 1.661 0.640 0.698 0.792 0.500 CB 0.909 25 residues pruned to eliminate duplicates Z: 19 14.769 1.750 0.808 0.732 0.778 0.222 CB 1.148 19 residues pruned to eliminate duplicates Z: 14 18.426 1.797 1.114 0.906 1.000 0.692 CB 0.956 14 residues pruned to eliminate duplicates Z: 14 18.224 1.858 1.088 0.875 1.000 0.538 CB 0.947 14 residues pruned to eliminate duplicates Z: 13 12.232 1.822 1.120 0.875 0.833 0.667 CB 0.798 13 residues pruned to eliminate duplicates Z: 11 13.203 1.970 0.654 0.807 1.000 0.900 CB 0.981 11 residues pruned to eliminate duplicates Z: 14 13.258 1.954 0.737 0.846 0.923 0.846 CB 0.872 14 residues pruned to eliminate duplicates Z: 12 10.321 1.905 0.580 0.732 0.909 0.909 CB 0.923 12 residues pruned to eliminate duplicates Z: 18 16.065 1.937 0.574 0.783 0.941 0.765 CB 1.059 18 residues pruned to eliminate duplicates Z: 40 25.171 1.941 0.567 0.794 0.974 0.769 CB 1.051 40 residues pruned to eliminate duplicates Z: 16 11.792 1.783 0.803 0.584 0.867 0.667 CB 1.008 16 residues pruned to eliminate duplicates Z: 28 17.748 1.949 0.569 0.696 0.926 0.704 CB 1.008 28 residues pruned to eliminate duplicates Z: 23 18.980 2.027 0.790 0.810 0.955 0.818 CB 0.892 23 residues pruned to eliminate duplicates Z: 24 20.754 2.019 0.903 0.768 0.913 0.739 CB 0.973 24 residues pruned to eliminate duplicates Z: 23 21.089 2.015 0.893 0.808 0.909 0.727 CB 0.992 23 residues pruned to eliminate duplicates Z: 24 24.823 2.035 1.042 0.777 1.000 0.696 CB 0.975 24 residues pruned to eliminate duplicates Z: 30 20.413 1.948 0.793 0.641 0.931 0.552 CB 1.022 30 residues pruned to eliminate duplicates Z: 24 21.142 2.031 0.916 0.775 0.913 0.652 CB 0.973 24 residues pruned to eliminate duplicates Z: 21 23.263 2.008 0.947 0.769 0.850 0.550 CB 1.233 21 residues pruned to eliminate duplicates Z: 21 23.355 2.073 0.803 0.886 0.900 0.900 CB 1.120 21 residues pruned to eliminate duplicates Z: 24 19.847 2.037 0.884 0.759 0.913 0.652 CB 0.938 24 residues pruned to eliminate duplicates Z: 24 21.931 2.031 0.976 0.776 0.957 0.652 CB 0.933 24 residues pruned to eliminate duplicates Z: 35 25.654 2.013 0.768 0.782 1.000 0.647 CB 0.964 35 residues pruned to eliminate duplicates Z: 24 20.553 1.937 0.922 0.758 0.913 0.565 CB 1.003 24 residues pruned to eliminate duplicates Z: 15 18.513 1.857 0.472 0.862 1.000 0.857 CB 1.329 15 residues pruned to eliminate duplicates Z: 34 26.642 1.914 0.703 0.772 0.879 0.606 CB 1.273 38 residues pruned to eliminate duplicates Z: 18 20.584 1.744 0.537 0.915 0.941 0.882 CB 1.398 18 residues pruned to eliminate duplicates Z: 36 27.428 1.904 0.748 0.821 0.886 0.714 CB 1.191 36 residues pruned to eliminate duplicates Z: 12 9.490 1.650 0.494 0.512 0.909 0.455 N 1.262 12 residues pruned to eliminate duplicates Z: 33 28.040 1.995 0.649 0.819 0.906 0.719 CB 1.261 33 residues pruned to eliminate duplicates Z: 35 28.877 1.951 0.851 0.791 0.853 0.618 CB 1.246 35 residues pruned to eliminate duplicates Z: 37 23.053 1.855 0.902 0.731 0.833 0.417 CB 1.062 37 residues pruned to eliminate duplicates Z: 37 28.876 1.929 0.675 0.802 0.944 0.750 CB 1.212 37 residues pruned to eliminate duplicates Z: 17 25.047 1.886 0.812 0.865 0.938 0.625 CB 1.431 17 residues pruned to eliminate duplicates Z: 19 27.610 1.851 0.801 0.886 1.000 0.833 CB 1.409 19 residues pruned to eliminate duplicates Z: 19 18.133 1.792 0.830 0.766 0.889 0.500 CB 1.158 19 residues pruned to eliminate duplicates Z: 40 30.918 1.944 0.787 0.817 0.923 0.718 CB 1.173 40 residues pruned to eliminate duplicates Z: 21 22.474 1.836 0.692 0.793 0.950 0.650 CB 1.317 21 residues pruned to eliminate duplicates Z: 20 25.871 1.831 0.890 0.851 0.947 0.684 CB 1.340 20 residues pruned to eliminate duplicates Z: 38 32.396 1.922 0.801 0.874 0.946 0.514 CB 1.184 37 residues pruned to eliminate duplicates Z: 19 25.536 1.842 0.723 0.907 1.000 0.833 CB 1.348 19 residues pruned to eliminate duplicates Z: 18 26.201 1.863 0.747 0.931 0.941 0.824 CB 1.450 18 residues pruned to eliminate duplicates Z: 7 6.918 1.832 1.084 0.621 0.833 0.333 CB 0.792 7 residues pruned to eliminate duplicates Z: 38 23.621 1.860 0.680 0.774 0.892 0.730 CB 1.094 17 residues pruned to eliminate duplicates Z: 11 15.444 1.891 0.585 0.908 1.000 1.000 CB 1.158 11 residues pruned to eliminate duplicates Z: 37 26.456 1.864 0.777 0.780 0.917 0.639 CB 1.134 37 residues pruned to eliminate duplicates Z: 25 16.691 1.896 0.644 0.683 0.833 0.708 CB 1.109 25 residues pruned to eliminate duplicates Z: 18 12.686 1.772 0.661 0.637 0.824 0.588 CB 1.116 18 residues pruned to eliminate duplicates Z: 33 22.092 1.790 0.702 0.691 0.906 0.625 CB 1.188 33 residues pruned to eliminate duplicates Z: 32 24.738 1.780 0.798 0.755 0.935 0.677 CB 1.183 31 residues pruned to eliminate duplicates Z: 18 16.386 1.724 0.705 0.841 0.941 0.765 CB 1.071 18 residues pruned to eliminate duplicates Z: 35 27.131 1.891 0.700 0.851 0.941 0.824 CB 1.138 35 residues pruned to eliminate duplicates Z: 21 16.188 1.741 0.570 0.761 0.950 0.700 CB 1.105 21 residues pruned to eliminate duplicates Z: 40 27.594 1.848 0.661 0.840 0.949 0.897 CB 1.132 39 residues pruned to eliminate duplicates Z: 21 18.846 1.680 0.896 0.803 0.950 0.600 CB 1.069 22 residues pruned to eliminate duplicates Z: 21 17.842 1.705 0.645 0.808 0.900 0.800 CB 1.208 21 residues pruned to eliminate duplicates Z: 19 6.798 1.684 0.525 0.490 0.833 0.500 CB 0.757 19 residues pruned to eliminate duplicates Z: 37 22.164 1.777 0.840 0.726 0.861 0.611 CB 1.070 37 residues pruned to eliminate duplicates Z: 23 19.088 1.915 0.328 0.720 0.909 0.864 CB 1.443 23 residues pruned to eliminate duplicates Z: 20 19.321 1.879 0.571 0.808 0.947 0.789 CB 1.211 20 residues pruned to eliminate duplicates Z: 20 19.445 1.889 0.377 0.834 1.000 0.737 CB 1.286 20 residues pruned to eliminate duplicates Z: 21 17.613 1.880 0.420 0.815 0.900 0.900 CB 1.247 21 residues pruned to eliminate duplicates Z: 21 20.553 1.877 0.518 0.810 0.950 0.750 CB 1.296 21 residues pruned to eliminate duplicates Z: 34 24.164 1.901 0.573 0.717 0.909 0.727 CB 1.271 30 residues pruned to eliminate duplicates Z: 18 22.342 1.850 0.650 0.856 1.000 0.765 CB 1.308 18 residues pruned to eliminate duplicates Z: 18 24.322 1.940 0.657 0.842 1.000 0.882 CB 1.368 18 residues pruned to eliminate duplicates Z: 20 24.170 1.891 0.756 0.860 1.000 0.842 CB 1.228 20 residues pruned to eliminate duplicates Z: 19 22.810 1.930 0.677 0.859 0.944 0.667 CB 1.294 19 residues pruned to eliminate duplicates Z: 23 20.199 1.842 0.750 0.745 0.909 0.682 CB 1.181 23 residues pruned to eliminate duplicates Z: 25 18.837 1.804 0.632 0.692 0.917 0.500 CB 1.196 25 residues pruned to eliminate duplicates Z: 21 19.603 1.867 0.653 0.799 1.000 0.750 CB 1.093 21 residues pruned to eliminate duplicates Z: 19 21.951 1.866 0.773 0.868 0.944 0.778 CB 1.211 19 residues pruned to eliminate duplicates Z: 24 19.137 1.809 0.776 0.687 0.870 0.478 CB 1.204 24 residues pruned to eliminate duplicates Z: 23 19.158 1.814 0.698 0.708 0.909 0.545 CB 1.208 23 residues pruned to eliminate duplicates Z: 40 22.652 1.783 0.600 0.743 0.897 0.590 CB 1.141 40 residues pruned to eliminate duplicates Z: 35 25.997 1.876 0.546 0.752 0.941 0.824 CB 1.305 35 residues pruned to eliminate duplicates Z: 8 3.034 1.707 0.203 0.378 0.714 0.571 CB 0.890 Z: 16 13.617 1.807 0.450 0.769 0.867 0.667 CB 1.220 16 residues pruned to eliminate duplicates Z: 33 22.916 1.888 0.450 0.724 0.906 0.594 CB 1.334 33 residues pruned to eliminate duplicates Z: 39 26.929 1.862 0.504 0.776 0.921 0.684 CB 1.327 39 residues pruned to eliminate duplicates Z: 38 25.726 1.855 0.559 0.765 0.919 0.730 CB 1.258 38 residues pruned to eliminate duplicates Z: 38 25.858 1.841 0.568 0.721 0.919 0.595 CB 1.312 38 residues pruned to eliminate duplicates Z: 39 26.328 1.863 0.564 0.723 0.921 0.711 CB 1.300 47 residues pruned to eliminate duplicates Z: 21 13.083 1.861 0.263 0.569 0.850 0.550 CB 1.370 21 residues pruned to eliminate duplicates Z: 39 28.438 1.878 0.505 0.745 0.947 0.789 CB 1.385 39 residues pruned to eliminate duplicates Z: 16 21.006 1.850 0.555 0.836 1.000 0.733 CB 1.411 16 residues pruned to eliminate duplicates Z: 39 26.962 1.838 0.621 0.742 0.921 0.553 CB 1.284 39 residues pruned to eliminate duplicates Z: 35 23.458 1.888 0.483 0.726 0.853 0.647 CB 1.374 35 residues pruned to eliminate duplicates Z: 39 24.912 1.839 0.560 0.736 0.868 0.684 CB 1.312 39 residues pruned to eliminate duplicates Z: 39 24.530 1.845 0.477 0.741 0.921 0.737 CB 1.277 39 residues pruned to eliminate duplicates Z: 39 25.684 1.845 0.494 0.762 0.921 0.632 CB 1.300 39 residues pruned to eliminate duplicates Z: 22 16.529 1.782 0.424 0.684 0.905 0.571 CB 1.327 22 residues pruned to eliminate duplicates Z: 36 21.406 1.880 0.414 0.694 0.886 0.600 CB 1.287 36 residues pruned to eliminate duplicates Z: 18 14.666 1.673 0.378 0.857 1.000 0.765 CB 1.137 18 residues pruned to eliminate duplicates Z: 16 11.800 1.642 0.411 0.741 0.933 0.800 CB 1.135 16 residues pruned to eliminate duplicates Z: 17 15.900 1.702 0.478 0.811 1.000 0.875 CB 1.205 17 residues pruned to eliminate duplicates Z: 14 14.258 1.698 0.344 0.848 1.000 0.923 CB 1.285 14 residues pruned to eliminate duplicates Z: 16 14.381 1.712 0.213 0.929 1.000 0.933 CB 1.252 16 residues pruned to eliminate duplicates Z: 11 12.380 1.776 0.272 0.791 1.000 0.900 CB 1.343 11 residues pruned to eliminate duplicates Z: 13 13.387 1.752 0.163 0.936 1.000 1.000 CB 1.321 13 residues pruned to eliminate duplicates Z: 17 16.347 1.713 0.344 0.870 1.000 1.000 CB 1.296 17 residues pruned to eliminate duplicates Z: 14 13.981 1.758 0.288 0.860 1.000 1.000 CB 1.259 14 residues pruned to eliminate duplicates Z: 15 15.949 1.718 0.435 0.909 1.000 0.929 CB 1.226 15 residues pruned to eliminate duplicates Z: 18 14.604 1.694 0.333 0.852 1.000 0.882 CB 1.160 18 residues pruned to eliminate duplicates Z: 18 10.443 1.643 0.124 0.763 0.941 0.765 CB 1.154 18 residues pruned to eliminate duplicates Z: 17 18.862 1.716 0.641 0.860 1.000 0.750 CB 1.231 18 residues pruned to eliminate duplicates Z: 18 18.901 1.668 0.657 0.897 1.000 0.824 CB 1.187 18 residues pruned to eliminate duplicates Z: 18 17.968 1.693 0.603 0.850 1.000 0.882 CB 1.190 18 residues pruned to eliminate duplicates Z: 18 16.335 1.672 0.610 0.851 1.000 0.882 CB 1.089 18 residues pruned to eliminate duplicates Z: 39 24.839 1.745 0.808 0.774 0.921 0.658 CB 1.089 41 residues pruned to eliminate duplicates Z: 19 17.479 1.637 0.709 0.888 1.000 0.833 CB 1.061 19 residues pruned to eliminate duplicates Z: 13 10.318 1.735 0.501 0.712 0.917 0.667 CB 1.030 13 residues pruned to eliminate duplicates Z: 13 8.452 1.703 0.407 0.661 0.833 0.333 CB 1.053 13 residues pruned to eliminate duplicates Z: 15 5.400 1.654 0.538 0.468 0.643 0.357 CB 0.911 15 residues pruned to eliminate duplicates Z: 12 7.158 1.653 0.631 0.625 0.727 0.455 CB 0.978 12 residues pruned to eliminate duplicates Z: 8 5.446 1.724 0.266 0.693 0.857 0.429 CB 0.922 7 residues pruned to eliminate duplicates Z: 13 9.711 1.691 0.488 0.728 0.833 0.417 CB 1.088 13 residues pruned to eliminate duplicates Z: 11 6.316 1.613 0.499 0.522 0.800 0.400 CB 1.010 11 residues pruned to eliminate duplicates Z: 13 8.838 1.709 0.507 0.611 0.833 0.583 CB 1.070 13 residues pruned to eliminate duplicates Z: 26 13.882 1.660 0.657 0.590 0.840 0.480 CB 1.103 26 residues pruned to eliminate duplicates Z: 7 4.532 1.629 0.576 0.514 0.667 0.500 O 1.066 7 residues pruned to eliminate duplicates Z: 20 16.442 1.695 0.677 0.747 0.947 0.737 CB 1.123 20 residues pruned to eliminate duplicates Z: 10 7.763 1.662 0.405 0.546 0.889 0.778 CB 1.192 10 residues pruned to eliminate duplicates Z: 8 5.695 1.646 0.351 0.469 0.857 0.714 CB 1.166 8 residues pruned to eliminate duplicates Z: 11 9.699 1.654 0.656 0.567 0.900 0.500 CB 1.166 11 residues pruned to eliminate duplicates Z: 13 6.619 1.652 0.446 0.440 0.833 0.750 CB 1.022 13 residues pruned to eliminate duplicates Z: 20 15.220 1.655 0.732 0.729 0.947 0.474 CB 1.046 20 residues pruned to eliminate duplicates Z: 23 11.615 1.717 0.530 0.621 0.864 0.591 CB 0.974 23 residues pruned to eliminate duplicates Z: 27 12.644 1.667 0.633 0.577 0.808 0.577 CB 1.047 27 residues pruned to eliminate duplicates Z: 32 14.212 1.712 0.529 0.585 0.871 0.645 CB 1.032 32 residues pruned to eliminate duplicates Z: 20 10.142 1.705 0.487 0.487 0.842 0.737 CB 1.104 20 residues pruned to eliminate duplicates Z: 9 4.519 1.755 0.021 0.506 0.875 0.750 CB 1.014 9 residues pruned to eliminate duplicates Z: 17 17.924 1.867 0.587 0.849 1.000 0.938 CB 1.121 17 residues pruned to eliminate duplicates Z: 23 14.568 1.812 0.439 0.658 0.909 0.864 CB 1.131 23 residues pruned to eliminate duplicates Z: 13 18.058 1.945 0.548 0.806 1.000 0.833 CB 1.326 13 residues pruned to eliminate duplicates Z: 14 15.635 1.857 0.411 0.755 0.923 0.615 CB 1.429 14 residues pruned to eliminate duplicates Z: 16 20.840 1.923 0.624 0.875 1.000 0.867 CB 1.253 16 residues pruned to eliminate duplicates Z: 18 15.473 1.849 0.549 0.683 0.882 0.529 CB 1.255 18 residues pruned to eliminate duplicates Z: 16 16.506 1.851 0.686 0.753 0.933 0.733 CB 1.168 16 residues pruned to eliminate duplicates Z: 17 17.639 1.828 0.823 0.839 0.938 0.812 CB 1.055 17 residues pruned to eliminate duplicates Z: 29 17.655 1.719 0.687 0.695 0.893 0.679 CB 1.078 29 residues pruned to eliminate duplicates Z: 18 14.826 1.828 0.549 0.794 0.941 0.647 CB 1.043 18 residues pruned to eliminate duplicates Z: 17 19.358 1.869 0.695 0.903 1.000 0.812 CB 1.089 17 residues pruned to eliminate duplicates Z: 16 21.688 1.896 0.792 0.918 1.000 0.800 CB 1.162 16 residues pruned to eliminate duplicates Z: 15 22.614 1.884 0.905 0.906 1.000 0.786 CB 1.197 15 residues pruned to eliminate duplicates Z: 30 20.202 1.690 0.623 0.715 1.000 0.759 CB 1.125 30 residues pruned to eliminate duplicates Z: 27 14.219 1.802 0.302 0.607 0.846 0.615 CB 1.269 27 residues pruned to eliminate duplicates Z: 20 16.621 1.883 0.241 0.805 1.000 0.842 CB 1.250 20 residues pruned to eliminate duplicates Z: 42 29.262 1.922 0.517 0.772 0.878 0.707 CB 1.403 42 residues pruned to eliminate duplicates Z: 36 22.980 1.962 0.328 0.741 0.857 0.743 CB 1.401 36 residues pruned to eliminate duplicates Z: 81 42.580 1.908 0.691 0.744 0.938 0.575 CB 1.265 81 residues pruned to eliminate duplicates Z: 37 34.808 1.927 0.712 0.767 1.000 0.722 CB 1.388 37 residues pruned to eliminate duplicates Z: 24 16.377 1.845 0.394 0.731 0.870 0.565 CB 1.240 24 residues pruned to eliminate duplicates Z: 18 17.616 1.849 0.396 0.759 0.941 0.824 CB 1.397 18 residues pruned to eliminate duplicates Z: 21 18.218 1.881 0.441 0.743 0.950 0.750 CB 1.273 21 residues pruned to eliminate duplicates Z: 23 15.849 1.858 0.351 0.687 0.909 0.682 CB 1.247 23 residues pruned to eliminate duplicates Z: 20 19.009 1.882 0.421 0.775 1.000 0.737 CB 1.279 20 residues pruned to eliminate duplicates Z: 39 30.683 1.913 0.581 0.761 0.974 0.658 CB 1.340 39 residues pruned to eliminate duplicates Z: 39 25.349 1.952 0.482 0.755 0.921 0.842 CB 1.230 39 residues pruned to eliminate duplicates Z: 24 14.309 1.814 0.379 0.614 0.913 0.652 CB 1.173 24 residues pruned to eliminate duplicates Z: 20 19.590 1.865 0.507 0.792 1.000 0.684 CB 1.238 20 residues pruned to eliminate duplicates Z: 54 35.172 1.943 0.774 0.722 0.906 0.585 CB 1.267 54 residues pruned to eliminate duplicates Z: 38 30.472 1.957 0.718 0.738 0.973 0.649 CB 1.238 40 residues pruned to eliminate duplicates Z: 19 18.444 1.945 0.565 0.863 0.889 0.833 CB 1.179 19 residues pruned to eliminate duplicates Z: 38 23.582 1.945 0.467 0.684 0.892 0.784 CB 1.287 38 residues pruned to eliminate duplicates Z: 25 18.779 1.883 0.619 0.634 0.917 0.750 CB 1.209 25 residues pruned to eliminate duplicates Z: 19 26.852 1.832 0.755 0.920 1.000 0.944 CB 1.386 17 residues pruned to eliminate duplicates Z: 18 27.859 1.897 0.655 0.902 1.000 0.882 CB 1.534 18 residues pruned to eliminate duplicates Z: 35 27.325 1.903 0.590 0.735 0.941 0.706 CB 1.333 35 residues pruned to eliminate duplicates Z: 40 29.824 1.924 0.588 0.761 0.974 0.769 CB 1.272 40 residues pruned to eliminate duplicates Z: 105 47.336 1.945 0.726 0.749 0.913 0.712 CB 1.211 105 residues pruned to eliminate duplicates Z: 57 38.604 1.944 0.664 0.759 0.946 0.804 CB 1.339 57 residues pruned to eliminate duplicates Z: 21 18.345 1.930 0.599 0.620 0.900 0.550 CB 1.318 21 residues pruned to eliminate duplicates Z: 18 24.573 2.069 0.716 0.792 0.882 0.765 CB 1.472 18 residues pruned to eliminate duplicates Z: 122 48.454 1.910 0.767 0.734 0.917 0.661 CB 1.153 117 residues pruned to eliminate duplicates Z: 17 27.533 1.918 0.725 0.937 1.000 1.000 CB 1.448 17 residues pruned to eliminate duplicates Z: 43 31.043 1.884 0.622 0.738 0.976 0.595 CB 1.297 42 residues pruned to eliminate duplicates Z: 19 31.601 1.835 0.911 0.937 1.000 0.944 CB 1.478 19 residues pruned to eliminate duplicates Z: 19 31.758 1.875 1.039 0.934 1.000 0.889 CB 1.365 19 residues pruned to eliminate duplicates Z: 16 32.380 2.071 0.815 0.949 1.000 0.933 CB 1.535 16 residues pruned to eliminate duplicates Z: 10 7.645 1.607 0.338 0.501 0.889 0.667 CA 1.332 10 residues pruned to eliminate duplicates Z: 7 8.231 1.711 0.333 0.579 1.000 0.500 N 1.366 7 residues pruned to eliminate duplicates Z: 9 11.634 1.785 0.681 0.831 1.000 0.750 CB 1.030 8 residues pruned to eliminate duplicates Z: 9 6.565 1.785 0.310 0.803 0.875 0.500 CB 0.871 9 residues pruned to eliminate duplicates Z: 17 18.331 1.904 0.772 0.877 0.938 0.875 CB 1.053 17 residues pruned to eliminate duplicates Z: 11 10.982 1.752 0.612 0.773 0.800 0.500 CB 1.207 11 residues pruned to eliminate duplicates Z: 20 14.914 1.840 0.696 0.811 0.895 0.684 CB 0.935 20 residues pruned to eliminate duplicates Z: 26 17.797 1.894 0.494 0.769 0.920 0.760 CB 1.077 26 residues pruned to eliminate duplicates Z: 23 18.415 1.856 0.542 0.890 0.955 0.818 CB 1.034 23 residues pruned to eliminate duplicates Z: 20 14.638 1.850 0.636 0.777 0.895 0.789 CB 0.971 20 residues pruned to eliminate duplicates Z: 25 19.053 1.803 0.615 0.830 1.000 0.708 CB 1.004 24 residues pruned to eliminate duplicates Z: 11 15.529 1.934 0.348 0.875 1.000 0.800 CB 1.369 11 residues pruned to eliminate duplicates Z: 21 11.693 1.778 0.604 0.616 0.750 0.450 CB 1.094 21 residues pruned to eliminate duplicates Z: 24 17.170 1.821 0.575 0.787 0.913 0.435 CB 1.063 24 residues pruned to eliminate duplicates Z: 18 19.121 1.857 0.971 0.762 0.941 0.412 CB 1.067 18 residues pruned to eliminate duplicates Z: 23 15.367 1.802 0.403 0.665 0.864 0.636 CB 1.288 23 residues pruned to eliminate duplicates Z: 23 17.206 1.837 0.801 0.796 0.909 0.318 CB 0.941 23 residues pruned to eliminate duplicates Z: 13 16.317 1.936 1.118 0.651 0.917 0.500 CB 1.088 13 residues pruned to eliminate duplicates Z: 17 13.061 1.899 1.236 0.756 0.875 0.500 CB 0.700 17 residues pruned to eliminate duplicates Z: 26 13.704 1.771 0.706 0.724 0.840 0.280 CB 0.883 26 residues pruned to eliminate duplicates Z: 15 11.483 1.944 0.784 0.694 0.929 0.571 CB 0.798 15 residues pruned to eliminate duplicates Z: 35 21.112 1.855 0.726 0.816 0.912 0.676 CB 0.943 35 residues pruned to eliminate duplicates Z: 37 22.250 1.821 0.724 0.752 0.917 0.472 CB 1.029 37 residues pruned to eliminate duplicates Z: 29 18.174 1.899 0.632 0.744 0.857 0.571 CB 1.039 29 residues pruned to eliminate duplicates Z: 32 19.275 1.886 0.879 0.756 0.839 0.613 CB 0.927 32 residues pruned to eliminate duplicates Z: 36 22.747 1.835 0.786 0.821 0.943 0.429 CB 0.942 36 residues pruned to eliminate duplicates Z: 38 23.692 1.852 0.694 0.842 0.946 0.568 CB 0.978 38 residues pruned to eliminate duplicates Z: 38 20.731 1.805 0.713 0.716 0.892 0.676 CB 1.017 38 residues pruned to eliminate duplicates Z: 35 23.355 1.844 0.722 0.758 0.912 0.676 CB 1.100 35 residues pruned to eliminate duplicates Z: 39 23.906 1.841 0.728 0.822 0.974 0.684 CB 0.946 39 residues pruned to eliminate duplicates Z: 17 16.102 1.800 0.549 0.778 1.000 0.812 CB 1.129 17 residues pruned to eliminate duplicates Z: 17 17.516 1.851 0.669 0.813 0.875 0.750 CB 1.234 17 residues pruned to eliminate duplicates Z: 37 20.736 1.854 0.641 0.719 0.917 0.694 CB 1.017 37 residues pruned to eliminate duplicates Z: 31 20.327 1.852 0.827 0.722 0.900 0.567 CB 0.997 31 residues pruned to eliminate duplicates Z: 32 23.180 1.888 0.726 0.801 0.903 0.710 CB 1.087 32 residues pruned to eliminate duplicates Z: 41 27.051 1.841 0.734 0.810 0.925 0.750 CB 1.106 41 residues pruned to eliminate duplicates Z: 33 21.250 1.879 0.681 0.789 0.906 0.719 CB 1.018 33 residues pruned to eliminate duplicates Z: 31 22.435 1.865 0.844 0.799 0.933 0.600 CB 0.982 31 residues pruned to eliminate duplicates Z: 18 21.924 1.889 0.705 0.918 1.000 0.882 CB 1.165 18 residues pruned to eliminate duplicates Z: 30 31.397 2.095 0.963 0.686 0.897 0.552 CB 1.334 30 residues pruned to eliminate duplicates Z: 38 36.867 2.036 0.862 0.785 0.892 0.811 CB 1.395 38 residues pruned to eliminate duplicates Z: 23 22.832 1.777 0.727 0.877 0.955 0.818 CB 1.207 23 residues pruned to eliminate duplicates Z: 17 21.335 2.065 0.704 0.756 0.938 0.750 CB 1.288 17 residues pruned to eliminate duplicates Z: 40 39.814 2.076 0.940 0.837 0.949 0.821 CB 1.248 40 residues pruned to eliminate duplicates Z: 15 19.036 1.947 0.850 0.695 0.929 0.714 CB 1.273 15 residues pruned to eliminate duplicates Z: 41 37.392 2.039 0.833 0.796 0.950 0.750 CB 1.285 41 residues pruned to eliminate duplicates Z: 40 39.038 2.079 0.916 0.829 0.949 0.821 CB 1.245 40 residues pruned to eliminate duplicates Z: 31 33.072 2.079 1.012 0.708 0.900 0.633 CB 1.328 31 residues pruned to eliminate duplicates Z: 40 36.723 2.029 0.931 0.840 0.923 0.718 CB 1.214 40 residues pruned to eliminate duplicates Z: 30 31.418 2.045 0.921 0.719 0.897 0.414 CB 1.359 30 residues pruned to eliminate duplicates Z: 18 22.448 2.058 0.880 0.705 0.882 0.706 CB 1.324 18 residues pruned to eliminate duplicates Z: 33 35.696 2.051 0.943 0.787 0.938 0.688 CB 1.313 33 residues pruned to eliminate duplicates Z: 8 8.513 1.808 0.265 0.693 1.000 0.714 CB 1.180 8 residues pruned to eliminate duplicates Z: 30 25.489 1.948 0.837 0.715 0.931 0.621 CB 1.169 30 residues pruned to eliminate duplicates Z: 33 34.840 2.050 0.938 0.770 0.938 0.688 CB 1.303 33 residues pruned to eliminate duplicates Z: 21 23.809 1.972 0.790 0.718 0.850 0.650 CB 1.457 21 residues pruned to eliminate duplicates Z: 15 27.608 1.973 0.954 0.876 1.000 0.714 CB 1.391 16 residues pruned to eliminate duplicates Z: 16 23.756 1.848 0.770 0.878 1.000 0.733 CB 1.360 16 residues pruned to eliminate duplicates Z: 15 14.383 1.857 0.653 0.812 0.786 0.714 CB 1.215 14 residues pruned to eliminate duplicates Z: 17 23.603 1.866 0.581 0.921 1.000 0.875 CB 1.407 17 residues pruned to eliminate duplicates Z: 9 14.706 1.727 0.848 0.772 0.875 0.625 O 1.464 9 residues pruned to eliminate duplicates Z: 13 13.658 1.831 0.612 0.589 0.833 0.667 CB 1.472 13 residues pruned to eliminate duplicates Z: 15 22.943 1.909 0.804 0.834 1.000 0.714 CB 1.335 15 residues pruned to eliminate duplicates Z: 18 23.753 1.918 0.702 0.810 0.941 0.706 CB 1.431 18 residues pruned to eliminate duplicates Z: 15 26.085 1.897 0.946 0.884 1.000 0.857 CB 1.364 14 residues pruned to eliminate duplicates Z: 16 28.265 1.922 0.828 0.924 1.000 0.867 CB 1.458 16 residues pruned to eliminate duplicates Z: 16 28.902 1.995 0.723 0.917 1.000 0.867 CB 1.532 16 residues pruned to eliminate duplicates Z: 17 26.762 1.933 0.712 0.854 1.000 0.875 CB 1.493 17 residues pruned to eliminate duplicates Z: 15 22.597 1.905 0.615 0.892 1.000 0.714 CB 1.410 15 residues pruned to eliminate duplicates Z: 14 26.478 1.960 0.815 0.887 1.000 0.692 CB 1.489 14 residues pruned to eliminate duplicates Z: 13 8.269 1.593 0.542 0.596 0.833 0.583 CB 1.064 11 residues pruned to eliminate duplicates Z: 8 7.635 1.732 0.334 0.903 1.000 1.000 CB 0.890 10 residues pruned to eliminate duplicates Z: 20 14.562 1.847 0.434 0.898 0.947 0.842 CB 0.953 20 residues pruned to eliminate duplicates Z: 11 9.727 1.719 0.680 0.654 0.900 0.400 CB 1.025 11 residues pruned to eliminate duplicates Z: 15 10.924 1.750 0.550 0.813 1.000 0.786 CB 0.820 15 residues pruned to eliminate duplicates Z: 25 11.611 1.755 0.566 0.636 0.833 0.500 CB 0.911 25 residues pruned to eliminate duplicates Z: 22 15.597 1.845 0.612 0.795 0.952 0.810 CB 0.928 22 residues pruned to eliminate duplicates Z: 16 11.594 1.755 0.567 0.714 0.933 0.533 CB 0.961 16 residues pruned to eliminate duplicates Z: 24 12.348 1.761 0.492 0.696 0.957 0.609 CB 0.857 24 residues pruned to eliminate duplicates Z: 14 12.785 1.945 0.596 0.858 0.923 0.846 CB 0.911 14 residues pruned to eliminate duplicates Z: 14 15.335 1.876 0.769 0.761 1.000 0.769 CB 1.016 14 residues pruned to eliminate duplicates Z: 18 14.617 1.865 0.716 0.869 0.941 0.824 CB 0.860 18 residues pruned to eliminate duplicates Z: 22 13.755 1.770 0.733 0.690 0.952 0.571 CB 0.863 22 residues pruned to eliminate duplicates Z: 18 13.886 1.835 0.941 0.703 0.882 0.647 CB 0.891 18 residues pruned to eliminate duplicates Z: 15 14.501 1.903 0.846 0.821 0.929 0.857 CB 0.899 15 residues pruned to eliminate duplicates Z: 22 11.585 1.820 0.770 0.628 0.810 0.714 CB 0.860 22 residues pruned to eliminate duplicates Z: 15 14.993 1.879 1.029 0.735 0.929 0.714 CB 0.916 15 residues pruned to eliminate duplicates Z: 24 11.490 1.825 0.604 0.647 0.870 0.696 CB 0.821 24 residues pruned to eliminate duplicates Z: 17 13.894 1.826 0.803 0.764 0.875 0.812 CB 0.954 17 residues pruned to eliminate duplicates Z: 13 7.342 1.473 0.377 0.513 0.833 0.583 N 1.238 13 residues pruned to eliminate duplicates Z: 24 14.840 1.859 0.503 0.635 0.870 0.652 CB 1.122 17 residues pruned to eliminate duplicates Z: 24 23.987 1.853 0.469 0.939 1.000 0.957 CB 1.277 23 residues pruned to eliminate duplicates Z: 17 16.058 1.866 0.490 0.900 1.000 0.875 CB 1.031 17 residues pruned to eliminate duplicates Z: 27 26.042 1.939 0.752 0.813 0.923 0.769 CB 1.240 27 residues pruned to eliminate duplicates Z: 23 24.607 1.935 0.562 0.943 1.000 0.955 CB 1.203 24 residues pruned to eliminate duplicates Z: 25 23.997 1.836 0.577 0.912 1.000 0.875 CB 1.199 24 residues pruned to eliminate duplicates Z: 24 28.455 1.934 0.764 0.920 1.000 0.826 CB 1.225 24 residues pruned to eliminate duplicates Z: 22 26.431 1.987 0.702 0.912 1.000 0.857 CB 1.208 22 residues pruned to eliminate duplicates Z: 29 22.313 1.926 0.782 0.701 0.929 0.571 CB 1.102 29 residues pruned to eliminate duplicates Z: 26 22.930 1.935 0.761 0.818 0.920 0.520 CB 1.110 26 residues pruned to eliminate duplicates Z: 27 22.928 1.883 0.904 0.740 0.885 0.615 CB 1.144 27 residues pruned to eliminate duplicates Z: 24 19.192 1.899 0.766 0.811 0.870 0.478 CB 1.047 24 residues pruned to eliminate duplicates Z: 31 16.323 1.803 0.705 0.657 0.867 0.433 CB 0.967 31 residues pruned to eliminate duplicates Z: 19 13.565 1.951 0.864 0.673 0.722 0.389 CB 1.037 19 residues pruned to eliminate duplicates Z: 12 8.536 1.912 0.874 0.671 0.727 0.364 CB 0.843 12 residues pruned to eliminate duplicates Z: 12 4.371 1.858 0.285 0.310 0.727 0.545 CB 0.937 Z: 6 5.146 1.604 0.756 0.635 0.800 0.600 N 0.900 18 residues pruned to eliminate duplicates Z: 9 6.736 1.892 0.862 0.674 0.625 0.250 CB 0.922 Z: 19 22.689 1.975 0.668 0.799 0.944 0.611 CB 1.322 19 residues pruned to eliminate duplicates Z: 41 34.652 1.951 0.827 0.811 0.900 0.650 CB 1.303 41 residues pruned to eliminate duplicates Z: 23 25.660 1.921 0.951 0.694 0.864 0.727 CB 1.415 23 residues pruned to eliminate duplicates Z: 42 36.435 2.004 0.805 0.828 0.902 0.780 CB 1.312 42 residues pruned to eliminate duplicates Z: 30 33.827 2.020 1.004 0.785 0.931 0.448 CB 1.297 30 residues pruned to eliminate duplicates Z: 40 37.294 1.975 0.890 0.832 0.897 0.462 CB 1.338 40 residues pruned to eliminate duplicates Z: 42 34.043 1.978 0.813 0.819 0.927 0.561 CB 1.213 42 residues pruned to eliminate duplicates Z: 15 22.450 1.981 0.936 0.675 0.929 0.214 CB 1.434 15 residues pruned to eliminate duplicates Z: 37 30.202 1.985 0.887 0.808 0.944 0.278 CB 1.088 37 residues pruned to eliminate duplicates Z: 40 28.568 1.929 0.961 0.784 0.846 0.308 CB 1.113 40 residues pruned to eliminate duplicates Z: 27 20.853 1.838 0.759 0.608 0.808 0.385 CB 1.414 27 residues pruned to eliminate duplicates Z: 31 23.736 1.965 0.847 0.665 0.833 0.367 CB 1.230 31 residues pruned to eliminate duplicates Z: 20 24.895 1.946 1.007 0.765 0.947 0.105 CB 1.220 20 residues pruned to eliminate duplicates Z: 65 34.537 1.894 0.790 0.746 0.906 0.594 CB 1.128 71 residues pruned to eliminate duplicates Z: 17 29.918 2.032 0.992 0.915 1.000 0.438 CB 1.306 17 residues pruned to eliminate duplicates Z: 22 26.758 1.967 0.995 0.731 0.905 0.429 CB 1.336 22 residues pruned to eliminate duplicates Z: 20 30.043 1.964 1.006 0.840 1.000 0.211 CB 1.305 20 residues pruned to eliminate duplicates Z: 8 12.630 1.734 0.754 0.677 1.000 0.429 CB 1.333 8 residues pruned to eliminate duplicates Z: 47 32.123 1.825 0.830 0.758 0.870 0.522 CB 1.296 47 residues pruned to eliminate duplicates Z: 27 21.097 1.834 0.629 0.630 0.923 0.615 CB 1.328 27 residues pruned to eliminate duplicates Z: 42 31.104 1.916 0.964 0.790 0.878 0.317 CB 1.140 42 residues pruned to eliminate duplicates Z: 24 10.593 1.678 0.533 0.625 0.870 0.609 CB 0.878 24 residues pruned to eliminate duplicates Z: 9 11.237 1.641 0.647 0.865 1.000 0.875 CB 1.076 9 residues pruned to eliminate duplicates Z: 10 12.524 1.579 0.762 0.877 1.000 0.778 CB 1.090 8 residues pruned to eliminate duplicates Z: 16 12.737 1.831 0.487 0.904 0.933 0.933 CB 0.922 16 residues pruned to eliminate duplicates Z: 15 19.560 1.839 0.788 0.912 1.000 0.786 CB 1.126 18 residues pruned to eliminate duplicates Z: 16 12.762 1.774 0.377 0.937 1.000 1.000 CB 0.938 16 residues pruned to eliminate duplicates Z: 26 12.561 1.719 0.617 0.660 0.840 0.640 CB 0.927 25 residues pruned to eliminate duplicates Z: 17 14.629 1.754 0.936 0.901 0.875 0.875 CB 0.879 17 residues pruned to eliminate duplicates Z: 20 11.876 1.771 0.645 0.755 0.842 0.737 CB 0.885 20 residues pruned to eliminate duplicates Z: 20 15.269 1.780 0.745 0.820 1.000 0.789 CB 0.854 20 residues pruned to eliminate duplicates Z: 20 13.209 1.825 0.662 0.718 0.895 0.684 CB 0.917 20 residues pruned to eliminate duplicates Z: 22 11.806 1.684 0.727 0.717 0.857 0.619 CB 0.849 22 residues pruned to eliminate duplicates Z: 19 13.055 1.794 0.837 0.648 0.889 0.778 CB 0.915 19 residues pruned to eliminate duplicates Z: 14 8.050 1.766 0.551 0.562 0.769 0.615 CB 0.998 14 residues pruned to eliminate duplicates Z: 18 11.087 1.793 0.819 0.706 0.824 0.647 CB 0.830 18 residues pruned to eliminate duplicates Z: 15 13.036 1.720 0.685 0.662 0.857 0.643 CB 1.207 15 residues pruned to eliminate duplicates Z: 30 21.555 1.764 0.727 0.806 0.931 0.759 CB 1.080 32 residues pruned to eliminate duplicates Z: 15 16.344 1.635 0.721 0.851 0.929 0.643 CB 1.237 15 residues pruned to eliminate duplicates Z: 23 18.361 1.737 0.914 0.739 0.864 0.409 CB 1.101 23 residues pruned to eliminate duplicates Z: 31 20.376 1.726 0.857 0.759 0.933 0.567 CB 0.987 31 residues pruned to eliminate duplicates Z: 14 6.917 1.627 0.728 0.603 0.846 0.462 CB 0.731 14 residues pruned to eliminate duplicates Z: 21 13.904 1.697 0.775 0.698 0.800 0.450 CB 1.077 21 residues pruned to eliminate duplicates Z: 18 19.315 1.629 0.672 0.846 0.941 0.412 O 1.358 15 residues pruned to eliminate duplicates Z: 14 21.287 1.665 1.019 0.914 0.923 0.692 CB 1.345 14 residues pruned to eliminate duplicates Z: 34 26.466 1.746 0.957 0.824 0.909 0.606 CB 1.120 34 residues pruned to eliminate duplicates Z: 17 17.855 1.648 0.739 0.916 0.938 0.812 CB 1.174 17 residues pruned to eliminate duplicates Z: 19 21.982 1.691 0.747 0.831 0.944 0.778 CB 1.395 19 residues pruned to eliminate duplicates Z: 29 25.687 1.697 0.945 0.796 0.929 0.536 CB 1.223 28 residues pruned to eliminate duplicates Z: 17 23.624 1.672 0.978 0.881 0.938 0.875 CB 1.379 17 residues pruned to eliminate duplicates Z: 6 4.516 1.338 0.761 0.552 1.000 0.600 O 0.815 6 residues pruned to eliminate duplicates Z: 6 5.254 1.537 0.896 0.468 0.800 0.400 N 1.041 6 residues pruned to eliminate duplicates 847 residues left after pruning, divided into chains as follows: A: 41 B: 38 C: 41 D: 66 E: 41 F: 41 G: 40 H: 56 I: 54 J: 147 K: 40 L: 41 M: 17 N: 63 O: 85 P: 36 CC for partial structure against native data = 44.85 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.655, Connect. = 0.728 for dens.mod. cycle 1 = 0.300, Contrast = 0.739, Connect. = 0.754 for dens.mod. cycle 2 = 0.300, Contrast = 0.878, Connect. = 0.774 for dens.mod. cycle 3 = 0.300, Contrast = 0.891, Connect. = 0.774 for dens.mod. cycle 4 = 0.300, Contrast = 0.900, Connect. = 0.774 for dens.mod. cycle 5 = 0.300, Contrast = 0.899, Connect. = 0.774 for dens.mod. cycle 6 = 0.300, Contrast = 0.900, Connect. = 0.775 for dens.mod. cycle 7 = 0.300, Contrast = 0.897, Connect. = 0.775 for dens.mod. cycle 8 = 0.300, Contrast = 0.895, Connect. = 0.776 for dens.mod. cycle 9 = 0.300, Contrast = 0.891, Connect. = 0.776 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2836 peaks > 0.5 sigma used to seed fragment search Space for about 1576 unique residues taking solvent into account 682 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 25.438 1.836 0.730 0.906 1.000 0.778 CB 1.343 B: 20 25.179 2.019 0.527 0.925 1.000 0.895 CB 1.315 C: 12 21.493 1.995 0.550 0.850 1.000 0.818 CB 1.552 D: 21 20.983 1.872 0.522 0.904 1.000 0.850 CB 1.173 E: 21 20.264 1.970 0.487 0.905 1.000 0.900 CB 1.100 20 residues pruned to eliminate duplicates F: 17 28.894 2.027 0.646 0.899 1.000 1.000 CB 1.548 G: 17 26.185 2.001 1.154 0.915 0.938 0.625 CB 1.145 H: 20 25.402 1.933 0.903 0.905 0.947 0.632 CB 1.189 I: 20 20.345 1.894 0.902 0.870 0.947 0.895 CB 0.999 J: 23 30.692 1.895 0.875 0.935 0.955 0.864 CB 1.344 K: 17 20.523 1.999 0.894 0.848 0.938 0.562 CB 1.072 L: 22 18.958 1.822 0.615 0.860 0.952 0.619 CB 1.086 21 residues pruned to eliminate duplicates M: 22 24.692 1.931 0.606 0.917 0.952 0.810 CB 1.287 N: 15 26.873 1.963 0.834 0.904 1.000 0.929 CB 1.421 O: 20 29.877 1.910 0.739 0.896 1.000 0.842 CB 1.479 P: 19 23.063 1.959 0.756 0.914 0.944 0.889 CB 1.183 17 residues pruned to eliminate duplicates Q: 12 21.281 1.981 0.831 0.925 1.000 0.909 CB 1.241 R: 22 28.141 1.960 0.734 0.931 0.952 0.857 CB 1.326 22 residues pruned to eliminate duplicates S: 15 13.759 2.044 0.950 0.942 1.000 0.929 CB 0.640 T: 25 25.123 1.901 0.666 0.902 0.958 0.833 CB 1.205 U: 6 2.735 1.954 0.617 0.498 0.800 0.600 CB 0.485 V: 18 26.867 1.932 0.746 0.851 1.000 0.824 CB 1.430 W: 18 21.649 1.895 0.765 0.884 0.941 0.765 CB 1.205 18 residues pruned to eliminate duplicates X: 22 24.940 1.904 0.599 0.919 1.000 0.905 CB 1.260 22 residues pruned to eliminate duplicates Y: 15 13.875 1.808 0.454 0.896 1.000 0.857 CB 1.010 Z: 21 19.922 1.925 0.824 0.899 0.900 0.800 CB 1.007 Z: 17 22.523 1.975 0.946 0.892 1.000 0.562 CB 1.052 17 residues pruned to eliminate duplicates Z: 23 25.117 1.931 0.674 0.912 1.000 0.864 CB 1.173 Z: 21 28.523 1.974 1.078 0.914 0.950 0.700 CB 1.157 21 residues pruned to eliminate duplicates Z: 22 24.767 1.921 0.705 0.930 0.952 0.810 CB 1.212 22 residues pruned to eliminate duplicates Z: 15 15.352 2.016 1.080 0.923 1.000 0.929 CB 0.688 15 residues pruned to eliminate duplicates Z: 18 27.990 1.994 0.696 0.890 1.000 0.941 CB 1.444 17 residues pruned to eliminate duplicates Z: 19 20.287 1.907 0.572 0.867 0.944 0.778 CB 1.235 19 residues pruned to eliminate duplicates Z: 17 21.872 1.911 1.020 0.929 1.000 0.938 CB 0.991 20 residues pruned to eliminate duplicates Z: 20 23.100 2.012 0.458 0.936 0.947 0.947 CB 1.329 20 residues pruned to eliminate duplicates Z: 21 26.759 2.017 0.770 0.953 1.000 0.900 CB 1.153 19 residues pruned to eliminate duplicates Z: 19 22.442 1.776 0.729 0.846 0.944 0.722 CB 1.355 19 residues pruned to eliminate duplicates Z: 21 21.101 1.919 0.628 0.902 1.000 0.900 CB 1.077 21 residues pruned to eliminate duplicates Z: 19 24.646 1.994 0.678 0.887 1.000 0.833 CB 1.252 Z: 9 6.166 1.960 0.406 0.540 0.875 0.750 CB 0.870 Z: 23 31.003 1.939 0.864 0.917 1.000 0.864 CB 1.291 23 residues pruned to eliminate duplicates Z: 21 31.080 1.974 0.902 0.916 0.950 0.900 CB 1.376 21 residues pruned to eliminate duplicates Z: 23 30.282 1.903 0.900 0.907 0.955 0.864 CB 1.330 23 residues pruned to eliminate duplicates Z: 15 21.156 1.838 0.931 0.857 1.000 0.571 CB 1.174 12 residues pruned to eliminate duplicates Z: 15 16.454 1.893 0.285 0.892 1.000 0.786 O 1.299 15 residues pruned to eliminate duplicates Z: 12 17.732 2.110 0.806 0.903 1.000 0.909 CB 1.000 11 residues pruned to eliminate duplicates Z: 18 20.871 1.836 0.842 0.900 0.882 0.824 CB 1.212 18 residues pruned to eliminate duplicates Z: 22 23.823 1.866 0.873 0.912 0.952 0.571 CB 1.107 22 residues pruned to eliminate duplicates Z: 20 23.895 1.966 0.666 0.887 0.947 0.895 CB 1.274 20 residues pruned to eliminate duplicates Z: 18 23.984 1.989 0.579 0.889 0.941 0.824 CB 1.417 19 residues pruned to eliminate duplicates Z: 21 18.315 1.878 0.280 0.914 0.950 0.850 CB 1.269 Z: 21 25.593 1.964 0.691 0.922 0.950 0.850 CB 1.275 21 residues pruned to eliminate duplicates Z: 19 23.846 2.031 0.589 0.904 1.000 0.833 CB 1.240 19 residues pruned to eliminate duplicates Z: 18 18.475 1.839 0.449 0.886 1.000 0.941 CB 1.213 11 residues pruned to eliminate duplicates Z: 17 21.839 1.987 0.907 0.906 1.000 0.750 CB 1.025 17 residues pruned to eliminate duplicates Z: 19 25.410 2.009 0.589 0.914 1.000 0.833 CB 1.328 21 residues pruned to eliminate duplicates Z: 17 23.045 1.974 0.437 0.890 1.000 0.875 CB 1.462 17 residues pruned to eliminate duplicates Z: 14 18.299 1.900 0.662 0.840 0.846 0.769 CB 1.417 14 residues pruned to eliminate duplicates Z: 18 25.286 1.886 0.700 0.882 1.000 0.824 CB 1.385 18 residues pruned to eliminate duplicates Z: 18 26.109 1.978 0.705 0.898 1.000 0.882 CB 1.343 18 residues pruned to eliminate duplicates Z: 19 16.512 1.903 0.621 0.911 1.000 0.944 CB 0.894 19 residues pruned to eliminate duplicates Z: 18 26.391 1.943 0.796 0.898 0.941 0.765 CB 1.394 Z: 20 24.933 2.004 0.569 0.939 1.000 0.895 CB 1.265 20 residues pruned to eliminate duplicates Z: 20 26.210 1.998 0.725 0.886 1.000 0.684 CB 1.258 20 residues pruned to eliminate duplicates Z: 23 21.372 1.896 0.422 0.876 1.000 0.773 CB 1.228 21 residues pruned to eliminate duplicates Z: 12 14.221 1.816 0.376 0.915 1.000 1.000 CB 1.213 11 residues pruned to eliminate duplicates Z: 24 24.491 1.931 0.487 0.935 1.000 1.000 CB 1.239 25 residues pruned to eliminate duplicates Z: 17 23.652 1.926 0.431 0.921 1.000 1.000 CB 1.511 17 residues pruned to eliminate duplicates Z: 18 20.942 1.990 0.432 0.926 1.000 0.941 CB 1.250 18 residues pruned to eliminate duplicates Z: 17 22.148 1.948 1.050 0.906 1.000 0.625 CB 0.986 17 residues pruned to eliminate duplicates Z: 17 30.265 2.003 0.853 0.905 0.938 0.938 CB 1.548 17 residues pruned to eliminate duplicates Z: 17 21.493 1.948 0.464 0.920 1.000 0.750 CB 1.327 Z: 17 32.145 1.955 0.865 0.880 1.000 0.812 CB 1.598 18 residues pruned to eliminate duplicates Z: 18 26.237 2.017 0.680 0.908 1.000 0.529 CB 1.334 18 residues pruned to eliminate duplicates Z: 19 26.416 2.003 0.784 0.861 0.944 0.778 CB 1.355 19 residues pruned to eliminate duplicates Z: 18 26.956 1.912 0.638 0.897 1.000 0.882 CB 1.495 18 residues pruned to eliminate duplicates Z: 19 24.003 2.026 0.519 0.924 1.000 1.000 CB 1.291 19 residues pruned to eliminate duplicates Z: 19 29.515 2.099 0.932 0.938 1.000 0.667 CB 1.193 20 residues pruned to eliminate duplicates Z: 19 25.128 1.842 0.431 0.919 1.000 0.833 CB 1.584 19 residues pruned to eliminate duplicates Z: 17 24.666 1.890 0.886 0.889 0.875 0.688 CB 1.424 17 residues pruned to eliminate duplicates Z: 25 27.027 1.916 0.752 0.910 0.958 0.750 CB 1.217 23 residues pruned to eliminate duplicates Z: 37 29.758 1.998 0.546 0.775 0.917 0.806 CB 1.374 34 residues pruned to eliminate duplicates Z: 15 21.858 2.025 0.539 0.900 1.000 0.857 CB 1.339 15 residues pruned to eliminate duplicates Z: 19 25.936 2.033 0.774 0.937 0.944 0.889 CB 1.249 19 residues pruned to eliminate duplicates Z: 20 23.701 1.945 0.551 0.916 1.000 0.895 CB 1.273 22 residues pruned to eliminate duplicates Z: 17 24.096 1.972 0.714 0.894 1.000 0.625 CB 1.279 17 residues pruned to eliminate duplicates Z: 18 21.050 1.989 0.652 0.882 1.000 0.882 CB 1.124 18 residues pruned to eliminate duplicates Z: 15 22.278 2.002 0.494 0.866 1.000 0.929 CB 1.457 15 residues pruned to eliminate duplicates Z: 10 8.862 1.781 1.068 0.905 0.889 0.889 CB 0.642 Z: 21 23.775 1.879 0.638 0.916 1.000 0.600 CB 1.220 20 residues pruned to eliminate duplicates Z: 19 25.588 1.910 0.799 0.900 1.000 0.722 CB 1.254 19 residues pruned to eliminate duplicates Z: 19 28.674 2.000 0.736 0.864 0.944 0.889 CB 1.511 19 residues pruned to eliminate duplicates Z: 19 14.054 1.806 0.626 0.932 1.000 0.833 CB 0.787 Z: 22 26.046 1.924 1.013 0.901 0.905 0.667 CB 1.158 22 residues pruned to eliminate duplicates Z: 20 18.227 1.882 0.327 0.880 1.000 0.789 CB 1.213 20 residues pruned to eliminate duplicates Z: 16 13.620 1.791 0.321 0.855 1.000 0.600 CB 1.097 Z: 22 28.014 1.941 0.621 0.907 1.000 0.905 CB 1.381 22 residues pruned to eliminate duplicates Z: 14 5.639 1.875 0.664 0.911 1.000 1.000 CB 0.355 Z: 15 14.923 1.859 0.460 0.929 1.000 0.714 CB 1.029 Z: 23 24.226 1.913 0.880 0.877 0.864 0.727 CB 1.207 23 residues pruned to eliminate duplicates Z: 19 23.726 1.851 0.626 0.861 1.000 0.722 CB 1.365 19 residues pruned to eliminate duplicates Z: 19 17.705 1.806 0.744 0.917 0.944 0.889 CB 0.990 10 residues pruned to eliminate duplicates Z: 16 15.239 1.901 0.242 0.904 1.000 0.867 CB 1.187 15 residues pruned to eliminate duplicates Z: 22 25.449 1.995 0.497 0.914 1.000 0.762 CB 1.315 22 residues pruned to eliminate duplicates Z: 19 22.268 1.973 0.407 0.886 1.000 0.778 CB 1.364 19 residues pruned to eliminate duplicates Z: 14 21.832 1.873 0.677 0.876 1.000 0.923 CB 1.401 15 residues pruned to eliminate duplicates Z: 10 7.721 1.890 0.602 0.851 1.000 1.000 CB 0.629 Z: 19 24.713 2.020 0.579 0.918 1.000 1.000 CB 1.288 19 residues pruned to eliminate duplicates Z: 18 20.270 1.928 0.552 0.790 0.941 0.824 CB 1.353 18 residues pruned to eliminate duplicates Z: 17 21.517 1.866 0.529 0.912 1.000 0.812 CB 1.335 16 residues pruned to eliminate duplicates Z: 21 20.468 1.903 0.600 0.859 0.900 0.800 CB 1.229 19 residues pruned to eliminate duplicates Z: 14 16.087 1.750 0.646 0.814 0.923 0.846 CB 1.277 14 residues pruned to eliminate duplicates Z: 19 25.860 1.851 0.645 0.894 1.000 0.778 CB 1.436 Z: 17 19.135 1.796 0.832 0.910 1.000 0.812 CB 1.031 16 residues pruned to eliminate duplicates Z: 20 16.561 1.955 0.238 0.905 1.000 0.895 CB 1.117 19 residues pruned to eliminate duplicates Z: 10 10.242 1.672 0.439 0.863 1.000 0.889 CB 1.041 Z: 18 19.664 1.853 0.705 0.904 1.000 0.824 CB 1.075 16 residues pruned to eliminate duplicates Z: 16 22.214 1.939 0.445 0.877 1.000 0.733 CB 1.486 16 residues pruned to eliminate duplicates Z: 21 24.202 1.986 0.753 0.922 0.950 0.850 CB 1.150 21 residues pruned to eliminate duplicates Z: 19 24.198 1.953 0.759 0.871 1.000 0.667 CB 1.212 19 residues pruned to eliminate duplicates Z: 19 21.681 1.859 0.512 0.913 1.000 0.833 CB 1.287 18 residues pruned to eliminate duplicates Z: 10 14.075 1.706 1.017 0.838 0.889 0.556 CB 1.147 Z: 21 23.245 1.959 0.679 0.898 0.950 0.800 CB 1.190 21 residues pruned to eliminate duplicates Z: 19 17.490 1.986 0.719 0.888 0.778 0.611 CB 1.118 19 residues pruned to eliminate duplicates Z: 19 23.786 1.864 0.543 0.895 1.000 0.944 CB 1.397 18 residues pruned to eliminate duplicates Z: 9 4.007 1.616 0.747 0.426 0.625 0.250 CB 0.867 Z: 16 29.161 2.120 0.918 0.919 1.000 0.867 CB 1.305 16 residues pruned to eliminate duplicates Z: 40 32.903 1.926 0.695 0.848 0.949 0.795 CB 1.262 39 residues pruned to eliminate duplicates Z: 23 20.645 1.931 0.554 0.898 0.955 0.773 CB 1.099 23 residues pruned to eliminate duplicates Z: 16 21.425 1.895 0.678 0.907 0.933 0.600 CB 1.325 17 residues pruned to eliminate duplicates Z: 21 21.551 1.956 0.487 0.915 0.950 0.850 CB 1.233 21 residues pruned to eliminate duplicates Z: 13 13.348 1.789 0.191 0.938 1.000 1.000 CB 1.257 Z: 21 23.459 1.951 0.785 0.901 0.950 0.850 CB 1.131 21 residues pruned to eliminate duplicates Z: 14 15.529 1.673 0.518 0.907 1.000 0.846 CB 1.206 12 residues pruned to eliminate duplicates Z: 16 28.723 2.126 1.004 0.947 1.000 0.933 CB 1.203 16 residues pruned to eliminate duplicates Z: 17 24.598 1.963 0.500 0.926 0.938 0.938 CB 1.562 17 residues pruned to eliminate duplicates Z: 15 13.110 1.817 0.660 0.835 0.857 0.857 CB 1.015 15 residues pruned to eliminate duplicates Z: 20 23.524 1.977 0.645 0.893 0.947 0.842 CB 1.257 20 residues pruned to eliminate duplicates Z: 19 28.453 1.826 0.811 0.922 1.000 0.944 CB 1.427 20 residues pruned to eliminate duplicates Z: 18 18.554 1.720 0.820 0.858 0.941 0.529 CB 1.125 18 residues pruned to eliminate duplicates Z: 19 22.809 1.894 0.587 0.880 1.000 0.833 CB 1.296 19 residues pruned to eliminate duplicates Z: 13 18.555 1.955 0.524 0.922 1.000 0.833 CB 1.264 13 residues pruned to eliminate duplicates Z: 24 26.429 1.922 0.816 0.921 0.957 0.826 CB 1.162 24 residues pruned to eliminate duplicates Z: 8 8.409 1.989 0.704 0.840 1.000 0.857 CB 0.700 Z: 15 21.340 1.881 0.833 0.867 0.929 0.714 CB 1.303 15 residues pruned to eliminate duplicates Z: 16 17.181 1.669 0.494 0.923 1.000 0.933 CB 1.250 16 residues pruned to eliminate duplicates Z: 19 21.516 1.959 0.677 0.923 1.000 0.833 CB 1.084 19 residues pruned to eliminate duplicates Z: 11 10.925 1.910 0.427 0.738 0.900 0.400 CB 1.137 11 residues pruned to eliminate duplicates Z: 18 27.338 1.952 0.759 0.897 1.000 0.882 CB 1.383 18 residues pruned to eliminate duplicates Z: 16 22.824 1.947 0.423 0.899 1.000 0.800 CB 1.521 17 residues pruned to eliminate duplicates Z: 21 27.445 1.955 1.017 0.868 0.900 0.750 CB 1.264 20 residues pruned to eliminate duplicates Z: 17 14.669 1.644 0.382 0.876 1.000 0.750 CB 1.173 Z: 19 18.789 1.829 0.415 0.868 0.944 0.833 CB 1.324 19 residues pruned to eliminate duplicates Z: 18 23.327 1.940 0.526 0.915 1.000 0.588 CB 1.350 18 residues pruned to eliminate duplicates Z: 19 16.892 1.792 0.535 0.923 1.000 0.833 CB 1.017 19 residues pruned to eliminate duplicates Z: 17 25.204 1.921 0.814 0.922 1.000 0.938 CB 1.272 18 residues pruned to eliminate duplicates Z: 19 19.560 2.011 0.323 0.916 1.000 0.889 CB 1.224 19 residues pruned to eliminate duplicates Z: 19 21.324 2.009 0.348 0.882 1.000 0.778 CB 1.342 19 residues pruned to eliminate duplicates Z: 16 17.187 1.851 0.376 0.868 1.000 0.667 CB 1.274 16 residues pruned to eliminate duplicates Z: 15 11.103 1.593 0.202 0.902 1.000 0.929 CB 1.106 15 residues pruned to eliminate duplicates Z: 22 28.885 1.944 0.859 0.937 0.905 0.619 CB 1.341 22 residues pruned to eliminate duplicates Z: 19 31.251 1.976 0.858 0.908 0.944 0.889 CB 1.509 18 residues pruned to eliminate duplicates Z: 22 28.934 1.977 0.807 0.941 1.000 0.810 CB 1.226 22 residues pruned to eliminate duplicates Z: 14 19.175 1.868 0.789 0.813 0.846 0.692 CB 1.432 14 residues pruned to eliminate duplicates Z: 17 17.896 1.816 0.781 0.900 1.000 0.375 CB 0.988 17 residues pruned to eliminate duplicates Z: 19 23.854 1.997 0.739 0.883 0.889 0.722 CB 1.317 19 residues pruned to eliminate duplicates Z: 9 3.318 1.452 0.467 0.233 0.750 0.250 N 1.001 Z: 16 19.536 1.801 0.492 0.871 1.000 0.867 CB 1.370 Z: 12 10.739 1.829 0.853 0.912 1.000 0.909 CB 0.677 12 residues pruned to eliminate duplicates Z: 24 28.097 1.926 0.816 0.905 1.000 0.739 CB 1.193 24 residues pruned to eliminate duplicates Z: 21 29.690 1.985 0.892 0.891 0.950 0.800 CB 1.338 21 residues pruned to eliminate duplicates Z: 9 12.917 1.817 1.193 0.834 0.750 0.625 CB 1.145 9 residues pruned to eliminate duplicates Z: 13 14.969 1.697 0.294 0.889 1.000 0.833 CB 1.417 Z: 22 18.849 1.978 0.415 0.926 1.000 1.000 CB 1.030 22 residues pruned to eliminate duplicates Z: 18 18.684 1.901 0.759 0.817 0.882 0.706 CB 1.166 Z: 15 15.393 1.828 0.599 0.874 1.000 0.643 CB 1.025 15 residues pruned to eliminate duplicates Z: 14 20.049 1.848 0.703 0.918 1.000 0.923 CB 1.246 13 residues pruned to eliminate duplicates Z: 19 22.266 2.006 0.480 0.912 1.000 0.889 CB 1.251 19 residues pruned to eliminate duplicates Z: 20 20.630 1.969 0.422 0.898 0.947 0.895 CB 1.275 20 residues pruned to eliminate duplicates Z: 14 20.333 1.869 0.573 0.852 1.000 0.846 CB 1.419 14 residues pruned to eliminate duplicates Z: 8 11.400 1.798 0.935 0.837 0.714 0.714 CB 1.297 Z: 18 20.215 1.955 0.304 0.875 1.000 0.882 CB 1.398 18 residues pruned to eliminate duplicates Z: 46 20.270 1.876 0.564 0.591 0.800 0.600 CB 1.179 47 residues pruned to eliminate duplicates Z: 22 25.244 1.946 0.589 0.937 1.000 0.857 CB 1.240 22 residues pruned to eliminate duplicates Z: 18 26.006 1.922 0.718 0.926 1.000 0.824 CB 1.340 18 residues pruned to eliminate duplicates Z: 8 11.050 1.732 0.725 0.819 0.857 0.571 CB 1.237 8 residues pruned to eliminate duplicates Z: 38 19.416 1.758 0.539 0.816 0.892 0.730 CB 1.005 Z: 6 3.341 1.669 0.265 0.393 0.600 0.600 O 1.321 Z: 17 17.153 1.742 0.915 0.930 1.000 1.000 CB 0.899 Z: 16 14.458 1.857 0.251 0.902 0.867 0.800 CB 1.322 18 residues pruned to eliminate duplicates Z: 20 25.300 2.036 0.768 0.912 0.947 0.895 CB 1.206 20 residues pruned to eliminate duplicates Z: 14 18.319 1.727 0.593 0.937 1.000 0.923 CB 1.286 Z: 20 27.442 1.951 0.923 0.894 0.947 0.421 CB 1.270 22 residues pruned to eliminate duplicates Z: 15 6.564 1.680 0.750 0.294 0.714 0.286 CB 1.053 9 residues pruned to eliminate duplicates Z: 7 2.335 1.726 -0.260 0.408 0.833 0.667 CB 0.987 Z: 19 25.437 1.836 0.991 0.897 0.944 0.778 CB 1.244 18 residues pruned to eliminate duplicates Z: 19 18.661 1.968 0.313 0.908 1.000 0.944 CB 1.209 19 residues pruned to eliminate duplicates Z: 19 23.995 2.011 0.682 0.851 0.944 0.833 CB 1.311 19 residues pruned to eliminate duplicates Z: 20 13.601 1.763 0.572 0.922 0.947 0.842 CB 0.836 20 residues pruned to eliminate duplicates Z: 17 22.823 1.895 0.585 0.873 0.938 0.750 CB 1.475 17 residues pruned to eliminate duplicates Z: 17 18.437 1.608 0.637 0.890 0.938 0.812 CB 1.343 15 residues pruned to eliminate duplicates Z: 10 14.578 1.937 0.683 0.794 1.000 0.778 CB 1.152 10 residues pruned to eliminate duplicates Z: 20 21.906 1.893 0.789 0.925 0.947 0.579 CB 1.099 18 residues pruned to eliminate duplicates Z: 16 11.623 1.695 0.558 0.792 0.800 0.533 CB 1.100 16 residues pruned to eliminate duplicates Z: 8 4.315 1.715 0.048 0.849 1.000 0.857 CB 0.672 Z: 19 14.533 1.943 0.561 0.933 1.000 0.944 CB 0.788 14 residues pruned to eliminate duplicates Z: 13 12.325 1.740 0.393 0.817 0.917 0.917 CB 1.217 13 residues pruned to eliminate duplicates Z: 12 10.752 1.856 0.848 0.381 0.909 0.364 CB 1.179 12 residues pruned to eliminate duplicates Z: 20 23.030 1.877 0.619 0.869 1.000 0.895 CB 1.270 20 residues pruned to eliminate duplicates Z: 16 20.059 1.885 0.418 0.932 1.000 1.000 CB 1.354 16 residues pruned to eliminate duplicates Z: 19 20.397 1.919 0.724 0.912 1.000 0.889 CB 1.029 19 residues pruned to eliminate duplicates Z: 19 17.339 1.826 0.429 0.865 0.944 0.833 CB 1.215 19 residues pruned to eliminate duplicates Z: 19 23.921 1.973 0.729 0.841 0.944 0.778 CB 1.305 19 residues pruned to eliminate duplicates Z: 13 17.659 1.687 0.779 0.913 1.000 0.917 CB 1.202 13 residues pruned to eliminate duplicates Z: 21 27.685 1.795 0.917 0.784 0.950 0.600 CB 1.475 16 residues pruned to eliminate duplicates Z: 18 26.539 1.902 0.546 0.919 1.000 0.941 CB 1.543 19 residues pruned to eliminate duplicates Z: 17 28.048 1.898 0.818 0.946 1.000 0.938 CB 1.406 17 residues pruned to eliminate duplicates Z: 21 23.264 2.001 0.441 0.944 1.000 1.000 CB 1.250 21 residues pruned to eliminate duplicates Z: 14 13.711 1.790 0.942 0.761 0.692 0.231 CB 1.254 14 residues pruned to eliminate duplicates Z: 18 20.044 1.886 0.571 0.730 0.882 0.824 CB 1.513 18 residues pruned to eliminate duplicates Z: 18 24.529 2.039 0.675 0.842 0.941 0.647 CB 1.379 18 residues pruned to eliminate duplicates Z: 17 22.192 1.924 0.384 0.915 1.000 0.938 CB 1.473 17 residues pruned to eliminate duplicates Z: 19 23.276 1.979 0.655 0.897 1.000 0.833 CB 1.199 19 residues pruned to eliminate duplicates Z: 12 27.986 1.958 0.874 0.864 1.000 1.000 CB 1.686 12 residues pruned to eliminate duplicates Z: 6 3.344 1.503 0.349 0.307 0.800 0.400 O 1.143 Z: 19 23.892 1.907 1.110 0.873 0.889 0.722 CB 1.146 19 residues pruned to eliminate duplicates Z: 19 30.919 1.924 0.940 0.907 1.000 0.889 CB 1.388 19 residues pruned to eliminate duplicates Z: 14 20.585 1.894 0.932 0.890 1.000 0.923 CB 1.123 14 residues pruned to eliminate duplicates Z: 17 22.473 1.708 0.663 0.931 1.000 1.000 O 1.382 17 residues pruned to eliminate duplicates Z: 20 22.888 1.908 0.645 0.891 0.947 0.684 CB 1.270 20 residues pruned to eliminate duplicates Z: 18 13.669 1.644 0.742 0.777 0.824 0.529 CB 1.101 16 residues pruned to eliminate duplicates Z: 20 22.008 1.944 0.860 0.917 0.947 0.579 CB 1.041 20 residues pruned to eliminate duplicates Z: 17 26.949 1.950 1.003 0.873 0.938 0.625 CB 1.340 18 residues pruned to eliminate duplicates Z: 18 17.484 1.850 0.257 0.885 1.000 0.824 CB 1.316 17 residues pruned to eliminate duplicates Z: 6 3.073 1.651 0.586 0.358 0.600 0.400 N 1.020 Z: 18 19.176 1.915 0.413 0.881 1.000 0.882 CB 1.245 18 residues pruned to eliminate duplicates Z: 47 30.518 2.014 0.717 0.693 0.913 0.587 CB 1.195 46 residues pruned to eliminate duplicates Z: 19 13.732 1.778 0.479 0.906 1.000 0.778 CB 0.875 19 residues pruned to eliminate duplicates Z: 19 30.291 1.990 0.833 0.918 1.000 0.833 CB 1.380 19 residues pruned to eliminate duplicates Z: 18 22.896 1.854 0.608 0.834 1.000 0.588 CB 1.397 18 residues pruned to eliminate duplicates Z: 18 22.907 2.026 0.478 0.902 0.941 0.941 CB 1.406 18 residues pruned to eliminate duplicates Z: 17 26.407 1.894 1.015 0.911 0.938 0.875 CB 1.307 17 residues pruned to eliminate duplicates Z: 24 21.716 1.881 0.789 0.909 0.913 0.565 CB 1.046 24 residues pruned to eliminate duplicates Z: 19 21.442 2.016 0.750 0.949 1.000 1.000 CB 0.989 16 residues pruned to eliminate duplicates Z: 19 16.633 1.830 0.350 0.800 1.000 0.722 CB 1.220 18 residues pruned to eliminate duplicates Z: 14 10.883 1.759 0.292 0.889 1.000 1.000 CB 0.956 11 residues pruned to eliminate duplicates Z: 19 20.941 1.983 0.474 0.871 0.944 0.889 CB 1.305 19 residues pruned to eliminate duplicates Z: 17 22.691 1.973 0.434 0.914 1.000 1.000 CB 1.418 17 residues pruned to eliminate duplicates Z: 18 29.834 1.850 0.999 0.924 1.000 0.941 CB 1.374 18 residues pruned to eliminate duplicates Z: 12 6.556 1.857 0.663 0.794 0.909 0.636 CB 0.544 10 residues pruned to eliminate duplicates Z: 12 17.875 1.900 0.412 0.909 1.000 0.909 O 1.425 12 residues pruned to eliminate duplicates Z: 20 21.033 1.982 0.870 0.819 0.947 0.842 CB 1.042 27 residues pruned to eliminate duplicates Z: 16 16.710 1.676 0.956 0.888 1.000 0.933 CB 0.949 16 residues pruned to eliminate duplicates Z: 21 20.412 1.919 0.676 0.857 0.900 0.500 CB 1.162 21 residues pruned to eliminate duplicates Z: 20 21.073 1.995 0.796 0.915 0.947 0.737 CB 1.007 19 residues pruned to eliminate duplicates Z: 20 13.555 1.877 0.702 0.756 0.895 0.632 CB 0.866 18 residues pruned to eliminate duplicates Z: 19 25.577 1.989 0.822 0.913 1.000 0.944 CB 1.177 19 residues pruned to eliminate duplicates Z: 19 22.969 1.859 0.946 0.875 0.889 0.556 CB 1.225 19 residues pruned to eliminate duplicates Z: 17 23.777 1.801 0.898 0.911 1.000 0.812 CB 1.233 17 residues pruned to eliminate duplicates Z: 16 21.192 2.004 0.391 0.865 0.933 0.733 CB 1.540 16 residues pruned to eliminate duplicates Z: 14 17.639 1.895 0.613 0.842 0.923 0.769 CB 1.292 14 residues pruned to eliminate duplicates Z: 21 23.003 1.857 0.729 0.908 1.000 1.000 CB 1.137 21 residues pruned to eliminate duplicates Z: 11 11.216 1.988 0.586 0.927 1.000 0.900 CB 0.788 8 residues pruned to eliminate duplicates Z: 16 18.003 1.846 0.453 0.911 1.000 0.800 CB 1.228 14 residues pruned to eliminate duplicates Z: 16 21.175 1.907 1.221 0.930 0.933 0.600 CB 0.967 16 residues pruned to eliminate duplicates Z: 21 25.818 1.973 0.809 0.922 0.950 0.700 CB 1.197 21 residues pruned to eliminate duplicates Z: 21 22.481 1.941 0.812 0.920 0.950 0.800 CB 1.060 21 residues pruned to eliminate duplicates Z: 7 5.763 1.519 0.767 0.812 0.667 0.667 CB 1.002 7 residues pruned to eliminate duplicates Z: 19 16.392 1.952 0.478 0.897 1.000 0.944 CB 0.959 19 residues pruned to eliminate duplicates Z: 19 26.557 1.830 0.984 0.914 1.000 0.833 CB 1.219 18 residues pruned to eliminate duplicates 8 1.700 1.475 0.055 0.217 0.714 0.286 CB 0.806 ? Z: 10 6.506 1.651 0.314 0.530 1.000 0.556 CB 0.970 10 residues pruned to eliminate duplicates Z: 24 13.421 1.815 0.812 0.663 0.870 0.696 CB 0.841 24 residues pruned to eliminate duplicates Z: 19 22.118 2.027 0.878 0.765 0.944 0.667 CB 1.146 19 residues pruned to eliminate duplicates Z: 12 24.984 2.002 0.638 0.877 1.000 0.727 CB 1.668 12 residues pruned to eliminate duplicates Z: 18 29.635 1.884 0.802 0.928 1.000 0.941 CB 1.483 17 residues pruned to eliminate duplicates Z: 14 9.851 1.634 0.532 0.835 0.923 0.769 CB 0.886 14 residues pruned to eliminate duplicates Z: 20 18.485 1.794 0.478 0.860 1.000 0.789 CB 1.177 19 residues pruned to eliminate duplicates Z: 19 23.859 1.796 0.581 0.869 1.000 0.778 CB 1.447 19 residues pruned to eliminate duplicates Z: 16 16.856 1.746 0.664 0.873 0.933 0.533 CB 1.169 17 residues pruned to eliminate duplicates Z: 12 9.300 1.637 0.528 0.810 0.909 0.636 CB 0.941 12 residues pruned to eliminate duplicates Z: 9 2.412 1.691 0.075 0.428 0.750 0.750 CB 0.674 Z: 21 24.557 1.942 0.944 0.882 0.900 0.700 CB 1.169 21 residues pruned to eliminate duplicates Z: 15 12.074 1.578 0.451 0.881 0.929 0.857 CB 1.098 15 residues pruned to eliminate duplicates Z: 13 17.971 1.691 0.864 0.918 0.917 0.917 CB 1.266 13 residues pruned to eliminate duplicates Z: 41 35.472 1.956 0.832 0.858 0.925 0.775 CB 1.245 44 residues pruned to eliminate duplicates Z: 19 23.371 1.893 0.606 0.872 1.000 0.889 CB 1.321 19 residues pruned to eliminate duplicates Z: 21 19.269 1.788 0.862 0.889 0.950 0.600 CB 0.981 Z: 8 2.917 1.544 -0.188 0.597 0.857 0.571 O 0.935 8 residues pruned to eliminate duplicates Z: 20 13.532 1.577 0.796 0.871 0.947 0.895 CB 0.844 18 residues pruned to eliminate duplicates Z: 18 18.739 1.799 0.507 0.890 1.000 0.882 CB 1.206 17 residues pruned to eliminate duplicates Z: 22 26.537 1.945 0.668 0.920 1.000 0.952 CB 1.257 22 residues pruned to eliminate duplicates Z: 33 19.182 1.832 0.714 0.639 0.875 0.562 CB 1.084 33 residues pruned to eliminate duplicates Z: 18 20.602 1.917 0.727 0.875 0.941 0.647 CB 1.166 18 residues pruned to eliminate duplicates Z: 19 24.563 1.875 0.621 0.880 1.000 0.833 CB 1.380 19 residues pruned to eliminate duplicates Z: 19 23.900 1.857 0.543 0.892 1.000 0.889 CB 1.412 19 residues pruned to eliminate duplicates Z: 19 18.329 1.957 0.469 0.924 0.944 0.833 CB 1.118 19 residues pruned to eliminate duplicates Z: 21 23.268 1.830 0.696 0.880 0.950 0.900 CB 1.279 22 residues pruned to eliminate duplicates Z: 15 19.178 1.826 0.837 0.902 1.000 0.643 CB 1.090 15 residues pruned to eliminate duplicates Z: 22 21.497 1.949 0.551 0.937 1.000 0.905 CB 1.080 22 residues pruned to eliminate duplicates Z: 16 26.250 1.987 0.890 0.924 0.933 0.867 CB 1.357 16 residues pruned to eliminate duplicates Z: 17 31.429 1.983 0.921 0.902 1.000 0.688 CB 1.471 16 residues pruned to eliminate duplicates Z: 19 19.197 1.838 0.888 0.811 0.889 0.500 CB 1.119 19 residues pruned to eliminate duplicates Z: 15 10.774 1.701 0.536 0.804 0.786 0.714 CB 1.076 Z: 11 9.890 1.707 0.563 0.763 1.000 0.800 CB 0.928 11 residues pruned to eliminate duplicates Z: 9 9.927 1.704 0.381 0.824 0.875 0.750 CB 1.287 10 residues pruned to eliminate duplicates Z: 19 19.930 1.642 0.851 0.831 0.944 0.500 CB 1.230 19 residues pruned to eliminate duplicates Z: 6 5.858 1.795 0.668 0.865 1.000 0.800 CB 0.641 Z: 8 12.601 1.815 0.855 0.695 0.857 0.857 CB 1.380 8 residues pruned to eliminate duplicates Z: 14 14.878 1.741 0.516 0.897 1.000 0.538 CB 1.120 14 residues pruned to eliminate duplicates Z: 16 18.096 1.843 0.420 0.916 1.000 1.000 CB 1.261 16 residues pruned to eliminate duplicates Z: 16 15.760 1.633 0.481 0.917 1.000 0.933 CB 1.187 16 residues pruned to eliminate duplicates Z: 17 15.494 1.663 0.724 0.834 0.938 0.438 CB 1.081 15 residues pruned to eliminate duplicates Z: 10 10.068 1.779 0.699 0.843 1.000 0.778 CB 0.827 10 residues pruned to eliminate duplicates Z: 16 19.150 1.896 0.421 0.903 1.000 0.733 CB 1.307 16 residues pruned to eliminate duplicates Z: 20 20.879 1.862 0.696 0.872 0.947 0.737 CB 1.167 20 residues pruned to eliminate duplicates Z: 17 15.333 1.843 0.330 0.902 1.000 0.812 CB 1.116 17 residues pruned to eliminate duplicates Z: 15 16.421 1.839 0.328 0.875 0.929 0.857 CB 1.407 15 residues pruned to eliminate duplicates Z: 7 6.991 1.738 0.774 0.696 1.000 1.000 CB 0.774 Z: 23 28.886 1.976 0.746 0.942 1.000 0.955 CB 1.238 23 residues pruned to eliminate duplicates Z: 19 26.710 2.014 0.730 0.926 1.000 0.833 CB 1.268 19 residues pruned to eliminate duplicates Z: 7 6.324 1.768 0.147 0.853 1.000 0.833 CB 0.941 7 residues pruned to eliminate duplicates Z: 22 27.010 1.926 0.610 0.929 1.000 0.905 CB 1.330 22 residues pruned to eliminate duplicates Z: 15 18.412 1.922 0.859 0.792 0.929 0.857 CB 1.148 15 residues pruned to eliminate duplicates Z: 17 22.207 1.962 0.320 0.917 1.000 0.938 CB 1.513 17 residues pruned to eliminate duplicates 9 1.226 1.303 0.802 0.201 0.500 0.250 N 0.526 ? Z: 22 24.109 1.855 0.714 0.865 0.952 0.905 CB 1.272 22 residues pruned to eliminate duplicates Z: 16 13.904 1.744 0.546 0.897 0.933 0.867 CB 1.021 16 residues pruned to eliminate duplicates Z: 7 7.575 1.855 1.438 0.780 0.833 0.500 CB 0.641 8 residues pruned to eliminate duplicates Z: 19 25.953 1.965 0.801 0.921 1.000 0.889 CB 1.216 19 residues pruned to eliminate duplicates Z: 13 4.904 1.301 0.827 0.445 0.833 0.500 CB 0.756 Z: 8 2.960 1.486 0.576 0.294 0.571 0.429 O 1.053 Z: 13 14.845 1.774 0.666 0.914 1.000 0.833 CB 1.025 13 residues pruned to eliminate duplicates Z: 19 20.501 1.806 0.496 0.888 1.000 0.722 CB 1.288 19 residues pruned to eliminate duplicates Z: 22 26.767 1.901 0.741 0.900 1.000 0.810 CB 1.261 22 residues pruned to eliminate duplicates Z: 21 9.810 1.513 0.682 0.519 0.850 0.600 CB 0.996 21 residues pruned to eliminate duplicates Z: 14 20.263 2.045 0.445 0.926 1.000 1.000 CB 1.334 14 residues pruned to eliminate duplicates Z: 17 4.588 1.738 0.333 0.336 0.625 0.250 CB 0.948 4 residues pruned to eliminate duplicates Z: 19 21.384 1.964 0.760 0.891 1.000 0.833 CB 1.049 19 residues pruned to eliminate duplicates Z: 18 17.964 1.772 0.813 0.927 0.941 0.647 CB 1.010 18 residues pruned to eliminate duplicates Z: 13 13.523 1.722 0.743 0.808 0.917 0.333 CB 1.085 15 residues pruned to eliminate duplicates Z: 23 15.491 1.846 0.697 0.912 0.955 0.682 CB 0.782 19 residues pruned to eliminate duplicates Z: 14 18.116 1.818 0.553 0.913 0.923 0.769 CB 1.364 14 residues pruned to eliminate duplicates Z: 17 13.507 1.791 0.611 0.875 0.875 0.625 CB 0.972 17 residues pruned to eliminate duplicates Z: 15 8.023 1.620 0.544 0.707 0.929 0.429 CB 0.765 15 residues pruned to eliminate duplicates Z: 36 26.516 1.926 0.551 0.709 0.886 0.714 CB 1.401 33 residues pruned to eliminate duplicates Z: 17 19.465 1.821 0.845 0.847 1.000 0.875 CB 1.076 17 residues pruned to eliminate duplicates Z: 15 16.050 1.789 0.653 0.868 0.929 0.786 CB 1.143 15 residues pruned to eliminate duplicates Z: 13 11.397 1.667 0.825 0.685 0.917 0.833 CB 0.996 13 residues pruned to eliminate duplicates Z: 21 21.758 1.905 0.428 0.832 1.000 0.700 CB 1.343 21 residues pruned to eliminate duplicates Z: 23 25.247 1.910 0.605 0.871 1.000 0.909 CB 1.282 23 residues pruned to eliminate duplicates Z: 20 24.784 1.903 0.680 0.911 1.000 0.895 CB 1.260 20 residues pruned to eliminate duplicates Z: 8 3.650 1.822 0.344 0.325 0.714 0.429 CB 0.956 Z: 18 23.776 1.914 0.607 0.919 1.000 0.941 CB 1.321 19 residues pruned to eliminate duplicates Z: 19 18.002 1.795 0.862 0.885 0.944 0.611 CB 0.970 20 residues pruned to eliminate duplicates Z: 6 3.429 1.620 0.218 0.724 0.800 0.800 CB 0.794 Z: 19 26.768 1.984 0.843 0.914 0.944 0.722 CB 1.292 19 residues pruned to eliminate duplicates Z: 23 20.760 1.876 0.660 0.918 1.000 0.591 CB 1.003 23 residues pruned to eliminate duplicates Z: 19 20.227 1.773 0.883 0.879 1.000 0.833 CB 1.036 18 residues pruned to eliminate duplicates Z: 9 6.034 1.752 0.359 0.740 1.000 0.750 CB 0.722 Z: 17 13.707 1.834 0.698 0.863 0.875 0.812 CB 0.923 17 residues pruned to eliminate duplicates Z: 20 27.590 1.952 0.865 0.917 1.000 0.684 CB 1.227 20 residues pruned to eliminate duplicates Z: 20 21.104 1.748 0.711 0.885 0.895 0.526 CB 1.306 20 residues pruned to eliminate duplicates Z: 13 6.877 1.576 0.313 0.714 1.000 0.833 CB 0.790 6 residues pruned to eliminate duplicates Z: 8 7.419 1.468 0.652 0.815 0.857 0.571 CB 1.026 6 residues pruned to eliminate duplicates Z: 10 3.696 1.537 0.077 0.324 0.889 0.556 CB 1.016 Z: 8 5.656 1.620 0.655 0.706 0.571 0.429 CB 1.157 8 residues pruned to eliminate duplicates Z: 28 21.634 1.861 0.585 0.787 0.889 0.667 CB 1.234 28 residues pruned to eliminate duplicates Z: 16 24.818 2.014 1.008 0.905 0.933 0.867 CB 1.209 16 residues pruned to eliminate duplicates Z: 19 12.529 1.762 0.950 0.893 0.833 0.444 CB 0.740 19 residues pruned to eliminate duplicates Z: 10 8.550 1.769 0.432 0.864 0.889 0.667 CB 0.928 10 residues pruned to eliminate duplicates Z: 21 19.713 1.878 0.969 0.887 0.850 0.650 CB 1.011 21 residues pruned to eliminate duplicates Z: 6 2.067 1.780 0.207 0.532 0.800 0.600 CB 0.521 Z: 7 8.252 1.836 0.246 0.862 1.000 1.000 CB 1.081 7 residues pruned to eliminate duplicates Z: 20 20.995 1.758 0.711 0.810 0.895 0.632 CB 1.366 20 residues pruned to eliminate duplicates Z: 15 16.539 1.842 0.485 0.867 0.929 0.714 CB 1.273 15 residues pruned to eliminate duplicates Z: 23 13.876 1.937 0.284 0.621 0.909 0.591 CB 1.167 23 residues pruned to eliminate duplicates Z: 19 21.457 1.877 0.822 0.926 1.000 0.833 CB 1.037 19 residues pruned to eliminate duplicates Z: 11 4.617 1.572 0.415 0.370 0.800 0.300 CB 0.943 Z: 14 14.353 1.772 0.508 0.801 0.923 0.692 CB 1.240 14 residues pruned to eliminate duplicates Z: 16 16.621 1.728 0.463 0.881 0.933 0.867 CB 1.317 16 residues pruned to eliminate duplicates Z: 19 12.232 1.779 0.255 0.715 0.944 0.611 CB 1.125 16 residues pruned to eliminate duplicates Z: 15 19.113 1.808 0.658 0.903 1.000 1.000 CB 1.215 14 residues pruned to eliminate duplicates Z: 11 12.503 1.817 0.429 0.862 1.000 0.900 CB 1.118 11 residues pruned to eliminate duplicates Z: 10 5.853 1.648 0.359 0.558 0.889 0.556 CB 0.927 Z: 18 25.540 1.840 0.956 0.894 0.941 0.588 CB 1.312 18 residues pruned to eliminate duplicates Z: 23 16.165 1.874 0.586 0.695 0.864 0.591 CB 1.123 22 residues pruned to eliminate duplicates Z: 21 17.205 1.846 0.354 0.888 1.000 0.850 CB 1.109 21 residues pruned to eliminate duplicates Z: 18 27.905 1.857 0.818 0.914 1.000 0.706 CB 1.417 18 residues pruned to eliminate duplicates Z: 14 16.386 1.839 0.669 0.896 0.923 0.462 CB 1.149 7 residues pruned to eliminate duplicates Z: 18 16.949 1.762 0.677 0.879 0.941 0.706 CB 1.072 15 residues pruned to eliminate duplicates Z: 22 15.846 1.839 0.408 0.879 0.952 0.810 CB 1.017 22 residues pruned to eliminate duplicates Z: 13 8.440 1.764 0.637 0.769 0.833 0.417 CB 0.798 Z: 19 26.593 2.006 0.661 0.842 1.000 0.889 CB 1.402 19 residues pruned to eliminate duplicates Z: 21 16.723 1.846 0.630 0.907 1.000 0.750 CB 0.883 21 residues pruned to eliminate duplicates Z: 14 5.732 1.717 0.215 0.485 0.769 0.615 CB 1.006 14 residues pruned to eliminate duplicates Z: 16 15.644 1.762 0.852 0.897 1.000 0.400 CB 0.887 16 residues pruned to eliminate duplicates Z: 7 13.467 1.883 1.026 0.898 1.000 1.000 CB 1.030 7 residues pruned to eliminate duplicates Z: 13 15.761 1.735 0.514 0.878 1.000 0.917 CB 1.257 14 residues pruned to eliminate duplicates Z: 20 16.937 1.687 0.492 0.873 0.895 0.789 CB 1.257 20 residues pruned to eliminate duplicates Z: 6 2.230 1.093 0.380 0.644 0.800 0.600 CB 0.722 Z: 18 12.845 1.663 0.744 0.828 0.941 0.824 CB 0.859 10 residues pruned to eliminate duplicates Z: 6 2.218 1.471 0.143 0.438 0.600 0.400 CB 1.048 6 residues pruned to eliminate duplicates Z: 18 18.177 1.810 0.647 0.915 0.941 0.882 CB 1.111 18 residues pruned to eliminate duplicates Z: 17 11.727 1.502 0.583 0.855 0.938 0.750 CB 0.971 17 residues pruned to eliminate duplicates Z: 8 3.358 1.543 0.344 0.428 0.571 0.571 CB 1.155 8 residues pruned to eliminate duplicates Z: 14 20.579 1.801 0.808 0.898 0.923 0.692 CB 1.358 14 residues pruned to eliminate duplicates Z: 39 25.943 1.869 0.557 0.741 0.921 0.737 CB 1.265 33 residues pruned to eliminate duplicates Z: 19 20.923 1.881 0.651 0.854 0.944 0.778 CB 1.242 19 residues pruned to eliminate duplicates Z: 19 16.999 1.814 0.629 0.866 0.889 0.611 CB 1.117 19 residues pruned to eliminate duplicates Z: 7 2.511 1.634 0.389 0.502 0.667 0.333 CB 0.676 Z: 13 12.898 1.720 0.378 0.792 1.000 0.667 CB 1.216 13 residues pruned to eliminate duplicates Z: 8 5.370 1.684 0.345 0.845 1.000 1.000 CB 0.666 Z: 16 16.760 1.782 0.985 0.923 1.000 0.800 CB 0.859 17 residues pruned to eliminate duplicates Z: 8 3.515 1.297 0.488 0.440 0.714 0.286 CB 1.025 Z: 16 17.300 1.849 0.536 0.881 1.000 0.800 CB 1.139 16 residues pruned to eliminate duplicates Z: 18 24.593 1.795 0.859 0.897 1.000 0.824 CB 1.279 18 residues pruned to eliminate duplicates Z: 6 2.055 1.417 0.613 0.884 1.000 0.800 CB 0.291 Z: 13 8.064 1.567 0.430 0.623 0.833 0.667 CB 1.111 13 residues pruned to eliminate duplicates Z: 20 17.911 1.752 0.472 0.905 0.947 0.789 CB 1.196 20 residues pruned to eliminate duplicates Z: 19 16.535 1.847 0.424 0.833 0.944 0.833 CB 1.177 19 residues pruned to eliminate duplicates Z: 7 2.397 1.592 0.241 0.458 0.500 0.333 CB 1.035 Z: 21 19.758 1.968 0.693 0.767 0.900 0.850 CB 1.163 21 residues pruned to eliminate duplicates Z: 6 3.053 1.488 0.628 0.296 0.800 0.600 CB 0.885 6 residues pruned to eliminate duplicates Z: 15 21.094 1.967 0.609 0.696 1.000 0.857 CB 1.489 15 residues pruned to eliminate duplicates Z: 7 8.713 1.599 0.598 0.863 1.000 1.000 CB 1.022 7 residues pruned to eliminate duplicates Z: 21 15.697 1.738 0.374 0.813 0.900 0.700 CB 1.244 21 residues pruned to eliminate duplicates Z: 19 22.836 1.988 0.652 0.893 1.000 0.889 CB 1.176 19 residues pruned to eliminate duplicates Z: 16 16.827 1.921 0.804 0.852 0.867 0.533 CB 1.070 16 residues pruned to eliminate duplicates Z: 42 35.679 1.973 0.900 0.825 0.927 0.610 CB 1.211 42 residues pruned to eliminate duplicates Z: 13 13.973 1.723 0.761 0.883 0.833 0.583 CB 1.153 13 residues pruned to eliminate duplicates Z: 11 5.216 1.685 0.167 0.540 0.900 0.400 CB 0.896 Z: 36 15.820 1.762 0.687 0.683 0.886 0.629 CB 0.858 28 residues pruned to eliminate duplicates Z: 19 25.192 1.878 0.591 0.890 1.000 0.889 CB 1.431 20 residues pruned to eliminate duplicates Z: 19 15.441 1.642 0.700 0.884 0.944 0.667 CB 0.997 19 residues pruned to eliminate duplicates Z: 6 2.093 1.326 0.865 0.300 0.600 0.600 CB 0.789 Z: 6 2.285 1.572 -0.074 0.234 0.800 0.400 CB 1.195 Z: 19 18.620 1.859 0.557 0.864 1.000 0.667 CB 1.112 19 residues pruned to eliminate duplicates Z: 8 2.975 1.380 0.243 0.359 0.714 0.429 CB 1.068 6 residues pruned to eliminate duplicates Z: 7 2.325 1.413 0.323 0.237 0.833 0.500 CB 0.827 Z: 10 8.591 1.954 0.665 0.856 1.000 1.000 CB 0.649 10 residues pruned to eliminate duplicates Z: 8 2.669 1.711 -0.104 0.316 0.857 0.286 CB 0.941 8 residues pruned to eliminate duplicates Z: 18 24.814 1.996 0.665 0.876 0.941 0.882 CB 1.399 18 residues pruned to eliminate duplicates Z: 10 4.461 1.531 1.000 0.482 0.889 0.556 CB 0.556 Z: 20 24.424 1.900 0.608 0.933 1.000 0.947 CB 1.280 22 residues pruned to eliminate duplicates Z: 17 14.216 1.776 0.711 0.755 0.875 0.625 CB 1.065 17 residues pruned to eliminate duplicates Z: 15 4.477 1.597 0.669 0.328 0.786 0.500 CB 0.691 Z: 13 20.132 1.881 0.800 0.886 1.000 0.667 CB 1.238 12 residues pruned to eliminate duplicates Z: 22 25.938 1.904 0.775 0.922 1.000 0.762 CB 1.178 22 residues pruned to eliminate duplicates Z: 13 7.828 1.917 0.794 0.676 0.917 0.750 CB 0.610 15 residues pruned to eliminate duplicates Z: 8 5.484 1.672 0.466 0.666 0.857 0.714 CB 0.845 8 residues pruned to eliminate duplicates Z: 7 3.908 1.692 0.625 0.882 0.833 0.833 CB 0.504 Z: 10 4.906 1.759 0.558 0.724 1.000 0.889 CB 0.487 10 residues pruned to eliminate duplicates 6 1.245 1.441 0.319 0.149 0.600 0.200 N 0.752 ? Z: 21 25.603 1.979 0.619 0.909 1.000 0.900 CB 1.269 21 residues pruned to eliminate duplicates Z: 16 26.148 2.086 0.930 0.912 0.933 0.533 CB 1.273 16 residues pruned to eliminate duplicates Z: 6 3.108 1.548 0.739 0.100 0.800 0.400 CB 1.075 Z: 17 24.360 1.974 0.819 0.732 0.938 0.875 CB 1.468 17 residues pruned to eliminate duplicates Z: 8 4.086 1.446 0.547 0.723 0.857 0.429 CB 0.659 Z: 18 17.737 1.795 0.330 0.841 1.000 0.706 O 1.344 18 residues pruned to eliminate duplicates Z: 15 10.288 1.747 0.551 0.853 0.929 0.643 CB 0.808 15 residues pruned to eliminate duplicates Z: 35 33.984 2.010 1.056 0.778 0.912 0.588 CB 1.210 35 residues pruned to eliminate duplicates Z: 8 6.297 1.492 0.612 0.784 1.000 0.714 CB 0.771 8 residues pruned to eliminate duplicates Z: 20 20.618 1.952 0.502 0.910 0.947 0.895 CB 1.208 20 residues pruned to eliminate duplicates Z: 14 14.623 1.818 0.452 0.895 0.923 0.923 CB 1.193 14 residues pruned to eliminate duplicates Z: 34 21.365 1.936 0.669 0.657 0.848 0.515 CB 1.173 34 residues pruned to eliminate duplicates 6 1.397 1.333 0.093 0.302 0.600 0.600 CB 0.891 ? Z: 14 10.671 1.801 0.986 0.905 1.000 0.385 CB 0.589 14 residues pruned to eliminate duplicates Z: 8 3.642 1.701 0.016 0.407 0.857 0.571 CB 1.024 Z: 19 32.135 1.979 0.812 0.917 1.000 0.778 CB 1.491 19 residues pruned to eliminate duplicates Z: 15 11.606 1.770 0.454 0.852 0.857 0.786 CB 1.040 15 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 21 18.127 1.959 0.573 0.837 0.950 0.850 CB 1.035 25 residues pruned to eliminate duplicates Z: 25 21.906 1.942 0.531 0.836 0.958 0.833 CB 1.175 25 residues pruned to eliminate duplicates Z: 26 19.359 1.875 0.447 0.735 1.000 0.720 CB 1.155 26 residues pruned to eliminate duplicates Z: 20 12.671 1.909 0.441 0.624 0.947 0.474 CB 0.992 20 residues pruned to eliminate duplicates Z: 26 18.997 1.918 0.608 0.788 0.920 0.800 CB 1.040 26 residues pruned to eliminate duplicates Z: 24 19.422 1.991 0.565 0.805 0.957 0.739 CB 1.041 24 residues pruned to eliminate duplicates Z: 25 23.261 1.954 0.688 0.813 1.000 0.750 CB 1.097 25 residues pruned to eliminate duplicates Z: 29 16.647 1.899 0.627 0.686 0.857 0.714 CB 1.001 29 residues pruned to eliminate duplicates Z: 26 20.160 1.922 0.708 0.776 0.920 0.720 CB 1.046 26 residues pruned to eliminate duplicates Z: 58 32.166 1.971 0.768 0.734 0.912 0.719 CB 1.086 63 residues pruned to eliminate duplicates Z: 20 22.188 2.043 0.774 0.906 0.895 0.842 CB 1.117 20 residues pruned to eliminate duplicates Z: 16 25.092 2.031 0.926 0.877 1.000 0.800 CB 1.203 16 residues pruned to eliminate duplicates Z: 41 27.484 1.939 0.646 0.717 0.950 0.700 CB 1.178 41 residues pruned to eliminate duplicates Z: 18 26.713 2.030 0.862 0.930 1.000 0.765 CB 1.199 18 residues pruned to eliminate duplicates Z: 33 27.141 1.961 0.668 0.748 0.906 0.656 CB 1.297 35 residues pruned to eliminate duplicates Z: 21 26.378 1.975 0.797 0.933 1.000 0.900 CB 1.160 21 residues pruned to eliminate duplicates Z: 19 28.190 2.029 0.857 0.941 1.000 0.944 CB 1.224 19 residues pruned to eliminate duplicates Z: 60 32.337 1.916 0.671 0.763 0.932 0.763 CB 1.117 61 residues pruned to eliminate duplicates Z: 21 27.587 2.000 0.896 0.888 0.950 0.850 CB 1.234 21 residues pruned to eliminate duplicates Z: 18 26.852 2.053 0.895 0.823 0.941 0.882 CB 1.345 18 residues pruned to eliminate duplicates Z: 22 12.858 1.780 0.665 0.449 0.857 0.286 CB 1.163 22 residues pruned to eliminate duplicates Z: 19 8.155 1.706 0.194 0.637 0.889 0.611 CB 0.934 19 residues pruned to eliminate duplicates Z: 18 11.693 1.824 0.199 0.698 0.941 0.647 CB 1.150 18 residues pruned to eliminate duplicates Z: 9 3.413 1.719 -0.251 0.554 0.875 0.500 CB 1.016 9 residues pruned to eliminate duplicates Z: 30 16.053 1.830 0.444 0.570 0.862 0.655 CB 1.224 30 residues pruned to eliminate duplicates Z: 10 11.698 1.856 0.224 0.718 1.000 0.778 CB 1.410 10 residues pruned to eliminate duplicates Z: 36 18.931 1.851 0.404 0.686 0.886 0.600 CB 1.172 36 residues pruned to eliminate duplicates Z: 19 14.941 1.811 0.355 0.766 0.944 0.778 CB 1.200 19 residues pruned to eliminate duplicates Z: 19 13.111 1.782 0.207 0.694 1.000 0.667 CB 1.203 19 residues pruned to eliminate duplicates Z: 14 18.842 1.954 0.601 0.936 1.000 0.769 CB 1.163 14 residues pruned to eliminate duplicates Z: 15 16.775 1.922 0.479 0.851 1.000 0.714 CB 1.167 15 residues pruned to eliminate duplicates Z: 15 15.246 1.863 0.566 0.737 0.929 0.786 CB 1.215 15 residues pruned to eliminate duplicates Z: 37 23.225 1.918 0.749 0.704 0.861 0.722 CB 1.112 37 residues pruned to eliminate duplicates Z: 15 18.983 1.924 0.504 0.863 1.000 0.857 CB 1.286 15 residues pruned to eliminate duplicates Z: 16 15.405 1.868 0.492 0.734 1.000 0.800 CB 1.157 16 residues pruned to eliminate duplicates Z: 18 15.281 1.815 0.541 0.801 0.882 0.765 CB 1.155 18 residues pruned to eliminate duplicates Z: 18 14.069 1.826 0.455 0.737 0.882 0.706 CB 1.177 18 residues pruned to eliminate duplicates Z: 9 3.721 1.368 0.723 0.277 0.625 0.375 O 1.150 6 residues pruned to eliminate duplicates Z: 6 2.108 1.602 0.607 0.254 0.400 0.000 N 1.213 6 residues pruned to eliminate duplicates Z: 21 11.290 1.888 0.400 0.803 0.900 0.800 CB 0.814 21 residues pruned to eliminate duplicates Z: 10 3.567 1.593 0.415 0.381 0.778 0.444 CB 0.770 10 residues pruned to eliminate duplicates Z: 13 7.512 1.811 0.522 0.751 0.917 0.583 CB 0.686 13 residues pruned to eliminate duplicates Z: 11 6.886 1.682 0.968 0.639 0.900 0.500 CB 0.642 11 residues pruned to eliminate duplicates Z: 23 14.675 1.981 0.519 0.806 0.955 0.818 CB 0.834 23 residues pruned to eliminate duplicates Z: 19 9.051 1.762 0.702 0.731 0.889 0.611 CB 0.650 19 residues pruned to eliminate duplicates Z: 24 16.002 1.995 0.695 0.754 0.870 0.696 CB 0.905 24 residues pruned to eliminate duplicates Z: 25 15.345 1.926 0.790 0.761 0.833 0.667 CB 0.865 25 residues pruned to eliminate duplicates Z: 29 22.742 2.033 0.721 0.716 0.929 0.571 CB 1.088 32 residues pruned to eliminate duplicates Z: 21 20.843 1.887 1.007 0.915 1.000 0.650 CB 0.870 21 residues pruned to eliminate duplicates Z: 24 18.105 1.953 0.786 0.747 0.913 0.609 CB 0.951 24 residues pruned to eliminate duplicates Z: 14 22.852 2.192 1.142 0.774 0.923 0.769 CB 1.148 14 residues pruned to eliminate duplicates Z: 26 17.889 1.927 1.001 0.739 0.880 0.560 CB 0.851 26 residues pruned to eliminate duplicates Z: 25 15.731 1.949 0.815 0.754 0.875 0.708 CB 0.827 25 residues pruned to eliminate duplicates Z: 26 20.284 1.960 0.948 0.735 0.840 0.720 CB 1.024 26 residues pruned to eliminate duplicates Z: 27 17.448 1.902 0.964 0.690 0.808 0.577 CB 0.953 28 residues pruned to eliminate duplicates Z: 20 21.919 2.007 1.102 0.942 0.947 0.895 CB 0.872 20 residues pruned to eliminate duplicates Z: 35 33.066 2.036 1.008 0.797 0.912 0.765 CB 1.174 42 residues pruned to eliminate duplicates Z: 12 19.228 2.162 1.116 0.832 0.909 0.818 CB 1.047 12 residues pruned to eliminate duplicates Z: 33 36.568 2.081 0.997 0.807 0.969 0.719 CB 1.229 35 residues pruned to eliminate duplicates Z: 20 24.856 1.926 0.635 0.816 0.895 0.789 CB 1.538 20 residues pruned to eliminate duplicates Z: 41 29.593 2.005 0.798 0.781 0.925 0.750 CB 1.096 33 residues pruned to eliminate duplicates Z: 20 24.807 1.923 0.664 0.834 0.947 0.789 CB 1.408 20 residues pruned to eliminate duplicates Z: 18 31.291 2.049 0.889 0.846 0.941 0.706 CB 1.548 18 residues pruned to eliminate duplicates Z: 20 23.682 1.997 0.825 0.768 0.842 0.632 CB 1.396 20 residues pruned to eliminate duplicates Z: 20 28.257 2.011 0.802 0.750 0.947 0.632 CB 1.512 20 residues pruned to eliminate duplicates Z: 38 29.715 2.012 0.845 0.782 0.919 0.676 CB 1.117 38 residues pruned to eliminate duplicates Z: 21 20.948 1.910 0.789 0.636 0.850 0.550 CB 1.420 21 residues pruned to eliminate duplicates Z: 42 31.570 2.004 0.912 0.763 0.902 0.610 CB 1.129 42 residues pruned to eliminate duplicates Z: 38 31.149 2.016 0.814 0.778 0.946 0.703 CB 1.158 38 residues pruned to eliminate duplicates Z: 25 23.270 1.950 0.575 0.637 0.875 0.625 CB 1.555 22 residues pruned to eliminate duplicates Z: 19 27.948 1.982 0.668 0.904 0.944 0.833 CB 1.502 19 residues pruned to eliminate duplicates Z: 38 31.778 2.009 0.872 0.757 0.892 0.703 CB 1.239 38 residues pruned to eliminate duplicates Z: 41 33.696 2.012 0.853 0.794 0.950 0.700 CB 1.163 44 residues pruned to eliminate duplicates Z: 6 7.150 1.829 0.620 0.526 1.000 0.800 CB 1.052 4 residues pruned to eliminate duplicates Z: 20 19.722 1.811 0.767 0.850 1.000 0.632 CB 1.048 20 residues pruned to eliminate duplicates Z: 7 6.124 1.794 0.247 0.447 1.000 0.167 CB 1.179 7 residues pruned to eliminate duplicates Z: 15 10.718 1.736 0.743 0.667 0.929 0.643 CB 0.874 15 residues pruned to eliminate duplicates Z: 14 15.859 1.708 0.907 0.601 1.000 0.385 CB 1.228 13 residues pruned to eliminate duplicates Z: 22 19.630 1.750 0.856 0.914 0.952 0.762 CB 0.979 21 residues pruned to eliminate duplicates Z: 19 18.710 1.874 0.752 0.923 1.000 0.778 CB 0.944 19 residues pruned to eliminate duplicates Z: 19 13.147 1.776 0.805 0.794 0.833 0.556 CB 0.897 19 residues pruned to eliminate duplicates Z: 10 7.128 1.773 0.944 0.707 0.667 0.333 CB 0.857 10 residues pruned to eliminate duplicates Z: 15 13.101 1.869 0.795 0.768 0.857 0.429 CB 0.960 15 residues pruned to eliminate duplicates Z: 13 7.586 1.713 1.120 0.568 0.750 0.500 CB 0.753 13 residues pruned to eliminate duplicates Z: 18 20.478 1.840 1.113 0.869 0.941 0.824 CB 0.991 19 residues pruned to eliminate duplicates Z: 18 20.948 1.812 1.153 0.911 0.941 0.588 CB 0.980 18 residues pruned to eliminate duplicates Z: 11 11.989 1.838 0.996 0.811 0.800 0.400 CB 0.985 11 residues pruned to eliminate duplicates Z: 19 12.040 1.818 0.917 0.675 0.833 0.444 CB 0.831 19 residues pruned to eliminate duplicates Z: 7 7.693 1.770 0.718 0.852 1.000 0.500 CB 0.764 7 residues pruned to eliminate duplicates Z: 36 18.301 1.827 0.735 0.631 0.857 0.629 CB 1.006 39 residues pruned to eliminate duplicates Z: 15 17.224 1.848 1.135 0.858 0.929 0.500 CB 0.925 15 residues pruned to eliminate duplicates Z: 30 16.785 1.879 0.564 0.701 0.862 0.586 CB 1.024 30 residues pruned to eliminate duplicates Z: 19 9.348 1.775 0.374 0.509 0.889 0.611 CB 1.007 19 residues pruned to eliminate duplicates Z: 32 22.600 1.914 0.531 0.798 0.935 0.645 CB 1.141 32 residues pruned to eliminate duplicates Z: 24 20.049 1.879 0.564 0.738 0.957 0.696 CB 1.201 24 residues pruned to eliminate duplicates Z: 32 22.566 1.916 0.665 0.790 0.935 0.613 CB 1.052 30 residues pruned to eliminate duplicates Z: 16 17.206 1.892 0.427 0.885 0.933 0.867 CB 1.272 16 residues pruned to eliminate duplicates Z: 21 17.234 1.827 0.509 0.610 0.900 0.800 CB 1.399 21 residues pruned to eliminate duplicates Z: 17 17.058 1.887 0.413 0.897 1.000 0.812 CB 1.145 17 residues pruned to eliminate duplicates Z: 23 16.102 1.902 0.370 0.702 0.909 0.636 CB 1.206 23 residues pruned to eliminate duplicates Z: 17 19.195 1.931 0.459 0.767 0.938 0.750 CB 1.434 17 residues pruned to eliminate duplicates Z: 12 18.701 2.007 0.657 0.737 0.909 0.727 CB 1.507 12 residues pruned to eliminate duplicates Z: 15 19.708 1.931 0.695 0.883 0.857 0.857 CB 1.357 15 residues pruned to eliminate duplicates Z: 16 19.817 1.893 0.541 0.911 1.000 0.867 CB 1.243 15 residues pruned to eliminate duplicates Z: 17 17.211 1.880 0.527 0.872 0.875 0.812 CB 1.248 17 residues pruned to eliminate duplicates Z: 14 17.355 1.797 0.702 0.679 1.000 0.692 CB 1.335 14 residues pruned to eliminate duplicates Z: 17 19.031 1.858 0.602 0.898 0.938 0.500 CB 1.220 17 residues pruned to eliminate duplicates Z: 17 21.574 1.882 0.552 0.914 1.000 0.750 CB 1.307 17 residues pruned to eliminate duplicates Z: 16 23.133 1.879 0.734 0.908 1.000 0.733 CB 1.302 16 residues pruned to eliminate duplicates Z: 18 22.269 1.869 0.636 0.912 1.000 0.824 CB 1.252 17 residues pruned to eliminate duplicates Z: 18 24.353 1.869 0.849 0.909 0.941 0.765 CB 1.289 18 residues pruned to eliminate duplicates Z: 25 17.711 1.961 0.448 0.657 0.917 0.583 CB 1.201 22 residues pruned to eliminate duplicates Z: 23 14.948 1.895 0.446 0.787 0.909 0.636 CB 0.994 23 residues pruned to eliminate duplicates Z: 21 20.546 2.087 0.437 0.739 1.000 0.750 CB 1.236 21 residues pruned to eliminate duplicates Z: 22 16.054 2.056 0.302 0.676 0.952 0.524 CB 1.168 22 residues pruned to eliminate duplicates Z: 17 18.611 2.053 0.379 0.790 1.000 0.812 CB 1.274 17 residues pruned to eliminate duplicates Z: 22 19.313 2.053 0.483 0.742 0.952 0.714 CB 1.171 22 residues pruned to eliminate duplicates Z: 25 17.020 1.988 0.431 0.667 1.000 0.667 CB 1.047 26 residues pruned to eliminate duplicates Z: 19 21.845 1.952 0.714 0.930 0.944 0.833 CB 1.140 19 residues pruned to eliminate duplicates Z: 19 24.354 2.042 0.746 0.773 1.000 0.833 CB 1.265 19 residues pruned to eliminate duplicates Z: 22 18.836 1.954 0.704 0.667 0.905 0.714 CB 1.169 22 residues pruned to eliminate duplicates Z: 18 22.151 2.027 0.597 0.825 0.941 0.588 CB 1.330 18 residues pruned to eliminate duplicates Z: 28 18.672 1.916 0.745 0.596 0.889 0.704 CB 1.104 27 residues pruned to eliminate duplicates Z: 19 24.821 1.983 0.864 0.906 0.944 0.778 CB 1.192 19 residues pruned to eliminate duplicates Z: 9 12.109 2.040 0.405 0.516 1.000 0.750 CB 1.471 9 residues pruned to eliminate duplicates Z: 11 12.948 1.911 0.895 0.598 0.900 0.400 CB 1.144 11 residues pruned to eliminate duplicates Z: 15 14.300 1.794 0.978 0.605 0.857 0.500 CB 1.137 15 residues pruned to eliminate duplicates Z: 13 12.009 1.812 0.899 0.575 0.750 0.417 CB 1.250 13 residues pruned to eliminate duplicates Z: 24 12.459 1.855 0.726 0.473 0.783 0.391 CB 1.066 24 residues pruned to eliminate duplicates Z: 32 29.142 1.993 0.721 0.694 0.935 0.548 CB 1.366 32 residues pruned to eliminate duplicates Z: 31 24.353 1.950 0.671 0.633 0.900 0.633 CB 1.338 31 residues pruned to eliminate duplicates Z: 48 30.948 1.964 0.620 0.682 0.936 0.702 CB 1.282 45 residues pruned to eliminate duplicates Z: 7 7.599 1.935 0.311 0.552 1.000 0.333 CB 1.163 7 residues pruned to eliminate duplicates Z: 63 31.335 1.977 0.581 0.627 0.903 0.661 CB 1.250 63 residues pruned to eliminate duplicates Z: 40 27.318 1.999 0.657 0.673 0.923 0.795 CB 1.220 40 residues pruned to eliminate duplicates Z: 24 20.045 1.988 0.450 0.674 0.913 0.696 CB 1.353 24 residues pruned to eliminate duplicates Z: 32 21.113 1.950 0.738 0.700 0.903 0.613 CB 1.032 32 residues pruned to eliminate duplicates Z: 35 25.874 1.966 0.687 0.699 0.912 0.676 CB 1.223 35 residues pruned to eliminate duplicates Z: 17 21.544 2.051 0.431 0.819 0.938 0.875 CB 1.483 17 residues pruned to eliminate duplicates Z: 44 25.692 2.000 0.471 0.618 0.884 0.744 CB 1.348 44 residues pruned to eliminate duplicates Z: 31 29.880 2.009 0.832 0.745 0.900 0.833 CB 1.322 31 residues pruned to eliminate duplicates Z: 42 27.020 1.979 0.596 0.633 0.902 0.585 CB 1.307 42 residues pruned to eliminate duplicates Z: 51 30.321 1.940 0.627 0.663 0.920 0.600 CB 1.270 51 residues pruned to eliminate duplicates Z: 19 27.876 1.914 0.876 0.891 1.000 0.667 CB 1.315 19 residues pruned to eliminate duplicates Z: 55 34.061 1.975 0.701 0.694 0.870 0.648 CB 1.327 55 residues pruned to eliminate duplicates Z: 26 17.839 1.945 0.597 0.672 0.880 0.600 CB 1.113 26 residues pruned to eliminate duplicates Z: 51 24.050 1.912 0.788 0.578 0.880 0.560 CB 1.049 51 residues pruned to eliminate duplicates Z: 63 36.434 2.014 0.726 0.712 0.919 0.710 CB 1.195 63 residues pruned to eliminate duplicates Z: 36 23.987 1.986 0.792 0.666 0.800 0.629 CB 1.221 36 residues pruned to eliminate duplicates Z: 42 27.349 1.967 0.544 0.707 0.878 0.659 CB 1.327 42 residues pruned to eliminate duplicates Z: 41 35.569 2.037 0.856 0.744 0.900 0.600 CB 1.329 42 residues pruned to eliminate duplicates Z: 18 19.582 2.031 0.254 0.807 0.941 0.941 CB 1.516 18 residues pruned to eliminate duplicates Z: 55 40.755 2.024 0.738 0.742 0.944 0.722 CB 1.344 55 residues pruned to eliminate duplicates Z: 43 29.338 1.986 0.610 0.649 0.929 0.619 CB 1.327 43 residues pruned to eliminate duplicates Z: 90 38.834 1.954 0.734 0.622 0.865 0.596 CB 1.251 100 residues pruned to eliminate duplicates Z: 16 26.877 2.010 0.535 0.901 0.933 0.800 O 1.721 16 residues pruned to eliminate duplicates Z: 20 21.502 1.887 0.464 0.765 0.947 0.789 CB 1.490 20 residues pruned to eliminate duplicates Z: 50 33.547 1.950 0.598 0.663 0.939 0.633 CB 1.409 44 residues pruned to eliminate duplicates Z: 51 36.383 2.034 0.611 0.729 0.920 0.760 CB 1.389 58 residues pruned to eliminate duplicates Z: 17 26.652 1.953 0.599 0.914 1.000 0.938 CB 1.509 17 residues pruned to eliminate duplicates Z: 41 32.033 2.027 0.630 0.747 0.925 0.700 CB 1.329 41 residues pruned to eliminate duplicates Z: 19 20.525 1.973 0.532 0.728 0.889 0.722 CB 1.467 19 residues pruned to eliminate duplicates Z: 50 35.534 2.028 0.687 0.718 0.898 0.755 CB 1.357 50 residues pruned to eliminate duplicates Z: 59 33.896 1.984 0.785 0.652 0.879 0.569 CB 1.241 57 residues pruned to eliminate duplicates Z: 16 29.621 2.058 0.767 0.864 1.000 0.800 CB 1.542 16 residues pruned to eliminate duplicates Z: 62 30.099 1.969 0.662 0.656 0.852 0.639 CB 1.195 62 residues pruned to eliminate duplicates Z: 58 33.691 2.007 0.749 0.649 0.877 0.737 CB 1.262 58 residues pruned to eliminate duplicates 8 1.833 1.617 -0.072 0.481 0.571 0.429 N 0.824 ? Z: 22 19.259 1.956 0.628 0.845 0.905 0.762 CB 1.085 22 residues pruned to eliminate duplicates Z: 23 23.591 1.947 0.678 0.873 0.909 0.773 CB 1.234 23 residues pruned to eliminate duplicates Z: 22 25.871 1.940 0.785 0.899 1.000 0.714 CB 1.165 22 residues pruned to eliminate duplicates Z: 22 23.269 1.932 0.725 0.858 0.952 0.762 CB 1.178 22 residues pruned to eliminate duplicates Z: 21 27.616 2.016 0.789 0.885 0.950 0.800 CB 1.301 21 residues pruned to eliminate duplicates Z: 36 25.167 1.972 0.565 0.753 0.943 0.686 CB 1.166 36 residues pruned to eliminate duplicates Z: 22 26.592 1.906 0.836 0.873 0.905 0.762 CB 1.336 22 residues pruned to eliminate duplicates Z: 20 21.138 2.049 0.832 0.785 0.842 0.789 CB 1.194 20 residues pruned to eliminate duplicates Z: 23 23.623 1.983 0.778 0.849 0.955 0.727 CB 1.109 23 residues pruned to eliminate duplicates Z: 28 23.623 1.904 0.765 0.718 0.889 0.741 CB 1.249 28 residues pruned to eliminate duplicates Z: 22 28.317 1.957 0.864 0.943 0.952 0.619 CB 1.233 22 residues pruned to eliminate duplicates Z: 23 21.930 1.957 0.809 0.791 0.955 0.409 CB 1.072 23 residues pruned to eliminate duplicates Z: 23 15.961 1.922 0.601 0.708 0.818 0.636 CB 1.118 23 residues pruned to eliminate duplicates Z: 22 25.561 1.988 0.943 0.890 0.952 0.714 CB 1.090 22 residues pruned to eliminate duplicates Z: 22 22.649 1.974 0.980 0.779 0.905 0.619 CB 1.093 22 residues pruned to eliminate duplicates Z: 18 14.616 1.969 0.818 0.649 0.765 0.412 CB 1.127 18 residues pruned to eliminate duplicates Z: 28 24.292 1.959 0.766 0.815 0.889 0.481 CB 1.156 28 residues pruned to eliminate duplicates Z: 36 24.463 1.893 0.769 0.705 0.886 0.686 CB 1.157 36 residues pruned to eliminate duplicates Z: 37 32.723 1.985 0.814 0.807 0.944 0.778 CB 1.226 37 residues pruned to eliminate duplicates Z: 26 22.274 1.968 0.760 0.774 0.920 0.680 CB 1.097 26 residues pruned to eliminate duplicates Z: 29 23.035 1.974 0.797 0.760 0.893 0.607 CB 1.091 29 residues pruned to eliminate duplicates Z: 19 16.045 2.034 0.559 0.698 0.889 0.778 CB 1.119 19 residues pruned to eliminate duplicates Z: 35 28.991 1.914 0.843 0.763 0.912 0.706 CB 1.223 35 residues pruned to eliminate duplicates Z: 35 30.859 2.018 0.800 0.815 0.912 0.735 CB 1.216 35 residues pruned to eliminate duplicates Z: 25 12.638 1.749 0.676 0.539 0.792 0.458 CB 1.070 25 residues pruned to eliminate duplicates Z: 28 24.781 2.032 0.717 0.757 0.926 0.630 CB 1.175 28 residues pruned to eliminate duplicates Z: 32 27.822 1.921 0.855 0.731 0.871 0.677 CB 1.308 32 residues pruned to eliminate duplicates Z: 27 21.835 1.971 0.801 0.799 0.885 0.769 CB 1.050 27 residues pruned to eliminate duplicates Z: 42 33.929 1.944 0.714 0.847 0.927 0.902 CB 1.274 42 residues pruned to eliminate duplicates Z: 32 25.148 1.900 0.722 0.771 0.871 0.710 CB 1.248 31 residues pruned to eliminate duplicates Z: 20 24.582 1.817 0.731 0.915 1.000 0.737 CB 1.267 21 residues pruned to eliminate duplicates Z: 18 24.296 1.864 0.693 0.931 1.000 0.941 CB 1.304 18 residues pruned to eliminate duplicates Z: 37 28.238 1.955 0.716 0.790 0.917 0.806 CB 1.187 37 residues pruned to eliminate duplicates Z: 20 23.658 1.907 0.573 0.828 0.947 0.737 CB 1.438 20 residues pruned to eliminate duplicates Z: 41 31.539 1.959 0.632 0.848 0.925 0.775 CB 1.251 41 residues pruned to eliminate duplicates Z: 21 20.593 1.912 0.616 0.739 0.950 0.700 CB 1.266 21 residues pruned to eliminate duplicates Z: 20 26.708 1.914 0.761 0.826 0.947 0.789 CB 1.447 21 residues pruned to eliminate duplicates Z: 22 23.897 1.937 0.567 0.901 1.000 0.905 CB 1.226 22 residues pruned to eliminate duplicates Z: 14 14.459 1.819 0.554 0.738 0.923 0.615 CB 1.241 14 residues pruned to eliminate duplicates Z: 12 11.818 1.805 0.476 0.785 1.000 0.727 CB 1.041 12 residues pruned to eliminate duplicates Z: 26 20.013 1.884 0.596 0.737 0.920 0.600 CB 1.170 26 residues pruned to eliminate duplicates Z: 24 22.155 1.949 0.691 0.791 0.957 0.652 CB 1.135 24 residues pruned to eliminate duplicates Z: 22 22.539 1.958 0.640 0.870 0.952 0.905 CB 1.174 22 residues pruned to eliminate duplicates Z: 36 25.714 1.886 0.617 0.765 0.943 0.743 CB 1.196 39 residues pruned to eliminate duplicates Z: 22 20.527 1.915 0.565 0.895 0.952 0.714 CB 1.125 22 residues pruned to eliminate duplicates Z: 25 20.748 1.946 0.660 0.705 0.917 0.667 CB 1.186 25 residues pruned to eliminate duplicates Z: 25 18.753 1.908 0.606 0.781 0.917 0.625 CB 1.064 25 residues pruned to eliminate duplicates Z: 21 26.526 2.056 0.871 0.843 0.950 0.750 CB 1.209 21 residues pruned to eliminate duplicates Z: 18 23.216 2.093 0.803 0.879 0.941 0.647 CB 1.149 18 residues pruned to eliminate duplicates Z: 17 20.010 2.085 0.942 0.856 0.938 0.625 CB 0.972 17 residues pruned to eliminate duplicates Z: 30 18.652 1.892 0.696 0.658 0.897 0.483 CB 1.040 30 residues pruned to eliminate duplicates Z: 30 20.571 1.852 0.821 0.600 0.828 0.448 CB 1.245 30 residues pruned to eliminate duplicates Z: 34 24.388 1.902 0.729 0.727 0.879 0.545 CB 1.197 34 residues pruned to eliminate duplicates Z: 15 16.026 1.973 0.757 0.720 0.857 0.786 CB 1.182 15 residues pruned to eliminate duplicates Z: 27 19.739 1.898 0.664 0.772 0.923 0.577 CB 1.044 27 residues pruned to eliminate duplicates Z: 18 19.658 2.072 0.933 0.822 0.882 0.647 CB 1.020 18 residues pruned to eliminate duplicates Z: 12 21.824 2.051 0.861 0.842 0.909 0.818 CB 1.414 12 residues pruned to eliminate duplicates Z: 42 26.840 1.905 0.575 0.788 0.902 0.683 CB 1.202 42 residues pruned to eliminate duplicates Z: 27 19.992 1.927 0.722 0.642 0.808 0.500 CB 1.281 27 residues pruned to eliminate duplicates Z: 21 12.759 1.642 0.834 0.476 0.750 0.350 CB 1.294 21 residues pruned to eliminate duplicates Z: 38 30.030 1.925 0.848 0.800 0.946 0.541 CB 1.129 40 residues pruned to eliminate duplicates Z: 18 24.846 1.844 0.845 0.898 1.000 0.647 CB 1.266 17 residues pruned to eliminate duplicates Z: 19 17.079 1.816 0.502 0.905 0.944 0.722 CB 1.112 19 residues pruned to eliminate duplicates Z: 43 28.066 1.879 0.826 0.823 0.929 0.571 CB 1.028 43 residues pruned to eliminate duplicates Z: 33 25.692 1.938 0.733 0.722 0.875 0.500 CB 1.264 33 residues pruned to eliminate duplicates Z: 26 21.862 1.929 0.694 0.783 0.880 0.280 CB 1.185 26 residues pruned to eliminate duplicates Z: 30 24.579 1.782 0.819 0.685 0.931 0.483 CB 1.276 28 residues pruned to eliminate duplicates Z: 20 22.263 1.759 0.808 0.890 0.895 0.632 CB 1.292 20 residues pruned to eliminate duplicates Z: 42 32.878 1.926 0.814 0.828 0.902 0.610 CB 1.226 42 residues pruned to eliminate duplicates Z: 14 10.366 1.725 0.646 0.659 0.769 0.462 CB 1.136 14 residues pruned to eliminate duplicates Z: 37 32.913 1.961 0.985 0.830 0.944 0.639 CB 1.122 37 residues pruned to eliminate duplicates Z: 18 21.751 1.883 0.693 0.923 0.882 0.824 CB 1.318 18 residues pruned to eliminate duplicates Z: 35 24.657 1.902 0.841 0.771 0.853 0.676 CB 1.114 35 residues pruned to eliminate duplicates Z: 18 29.900 1.909 0.916 0.933 1.000 0.529 CB 1.383 20 residues pruned to eliminate duplicates Z: 21 22.599 1.679 0.937 0.905 0.900 0.600 CB 1.229 21 residues pruned to eliminate duplicates Z: 35 32.561 1.987 0.841 0.861 0.941 0.529 CB 1.192 35 residues pruned to eliminate duplicates Z: 7 5.271 1.561 0.575 0.590 0.667 0.500 O 1.204 7 residues pruned to eliminate duplicates Z: 18 16.110 1.885 0.365 0.776 0.882 0.765 CB 1.349 17 residues pruned to eliminate duplicates Z: 21 14.586 1.826 0.286 0.856 0.950 0.850 CB 1.078 21 residues pruned to eliminate duplicates Z: 22 15.960 1.887 0.304 0.803 1.000 0.810 CB 1.086 22 residues pruned to eliminate duplicates Z: 20 14.844 1.967 0.334 0.840 0.895 0.789 CB 1.082 20 residues pruned to eliminate duplicates Z: 20 14.733 1.954 0.286 0.833 0.895 0.789 CB 1.128 20 residues pruned to eliminate duplicates Z: 26 16.633 1.899 0.373 0.717 0.880 0.640 CB 1.191 26 residues pruned to eliminate duplicates Z: 24 18.480 1.897 0.419 0.736 0.957 0.652 CB 1.210 24 residues pruned to eliminate duplicates Z: 23 18.107 1.928 0.456 0.756 0.909 0.591 CB 1.205 23 residues pruned to eliminate duplicates Z: 17 17.202 2.026 0.433 0.730 0.938 0.625 CB 1.285 17 residues pruned to eliminate duplicates Z: 22 18.588 1.936 0.571 0.762 0.905 0.714 CB 1.169 22 residues pruned to eliminate duplicates Z: 18 15.389 1.922 0.663 0.747 0.941 0.706 CB 0.995 18 residues pruned to eliminate duplicates Z: 17 14.067 1.994 0.643 0.785 0.875 0.750 CB 0.955 17 residues pruned to eliminate duplicates Z: 22 18.383 1.962 0.628 0.765 0.810 0.619 CB 1.226 22 residues pruned to eliminate duplicates Z: 16 19.101 2.108 0.517 0.780 0.933 0.667 CB 1.291 16 residues pruned to eliminate duplicates Z: 17 18.173 2.026 0.611 0.750 0.875 0.562 CB 1.272 17 residues pruned to eliminate duplicates Z: 18 19.320 2.042 0.552 0.698 0.882 0.706 CB 1.399 18 residues pruned to eliminate duplicates Z: 21 19.358 1.984 0.596 0.784 0.900 0.750 CB 1.183 21 residues pruned to eliminate duplicates Z: 18 15.645 2.008 0.486 0.706 0.882 0.647 CB 1.196 18 residues pruned to eliminate duplicates Z: 17 17.289 2.046 0.521 0.732 0.875 0.562 CB 1.289 17 residues pruned to eliminate duplicates Z: 26 19.539 1.902 0.601 0.770 0.920 0.640 CB 1.098 26 residues pruned to eliminate duplicates Z: 27 19.228 1.903 0.737 0.753 0.846 0.654 CB 1.076 27 residues pruned to eliminate duplicates Z: 26 17.334 1.835 0.838 0.713 0.920 0.560 CB 0.921 27 residues pruned to eliminate duplicates Z: 9 9.043 1.676 0.787 0.640 0.875 0.750 CB 1.070 9 residues pruned to eliminate duplicates Z: 27 25.301 1.938 0.751 0.785 0.962 0.769 CB 1.183 27 residues pruned to eliminate duplicates Z: 29 19.534 1.884 0.716 0.775 0.857 0.607 CB 1.045 29 residues pruned to eliminate duplicates Z: 26 18.720 1.905 0.756 0.778 0.840 0.600 CB 1.043 26 residues pruned to eliminate duplicates Z: 12 17.527 1.890 0.790 0.838 1.000 0.818 CB 1.167 12 residues pruned to eliminate duplicates Z: 11 10.421 1.767 0.548 0.667 0.900 0.500 CB 1.147 11 residues pruned to eliminate duplicates Z: 33 17.907 1.836 0.685 0.713 0.875 0.531 CB 0.964 33 residues pruned to eliminate duplicates Z: 24 16.318 1.777 0.850 0.725 0.913 0.478 CB 0.925 24 residues pruned to eliminate duplicates Z: 32 20.551 1.897 0.732 0.774 0.935 0.677 CB 0.942 32 residues pruned to eliminate duplicates Z: 6 14.071 2.040 0.718 0.887 1.000 0.800 CB 1.295 6 residues pruned to eliminate duplicates Z: 38 24.403 1.816 0.566 0.758 0.946 0.730 CB 1.185 38 residues pruned to eliminate duplicates Z: 14 11.600 1.642 0.418 0.864 0.923 0.846 CB 1.097 11 residues pruned to eliminate duplicates Z: 21 19.991 1.665 0.908 0.837 1.000 0.750 CB 1.052 21 residues pruned to eliminate duplicates Z: 17 15.561 1.708 0.835 0.898 0.938 0.875 CB 0.947 17 residues pruned to eliminate duplicates Z: 32 25.672 1.869 0.864 0.796 0.903 0.581 CB 1.130 32 residues pruned to eliminate duplicates Z: 6 3.339 1.578 0.629 0.486 0.600 0.000 CB 0.983 6 residues pruned to eliminate duplicates Z: 17 18.095 1.969 0.492 0.739 1.000 0.750 CB 1.243 17 residues pruned to eliminate duplicates Z: 14 13.496 1.833 0.493 0.687 0.923 0.615 CB 1.248 14 residues pruned to eliminate duplicates Z: 21 21.615 1.987 0.570 0.813 0.950 0.800 CB 1.242 21 residues pruned to eliminate duplicates Z: 22 18.528 1.930 0.483 0.832 0.952 0.810 CB 1.114 22 residues pruned to eliminate duplicates Z: 22 18.747 1.973 0.512 0.824 0.905 0.810 CB 1.144 22 residues pruned to eliminate duplicates Z: 18 29.009 2.005 0.866 0.855 0.941 0.706 CB 1.475 18 residues pruned to eliminate duplicates Z: 17 23.044 1.889 0.922 0.883 0.938 0.812 CB 1.224 17 residues pruned to eliminate duplicates Z: 20 21.067 1.930 0.810 0.700 0.895 0.684 CB 1.288 20 residues pruned to eliminate duplicates Z: 15 26.696 1.972 1.011 0.860 0.929 0.786 CB 1.425 15 residues pruned to eliminate duplicates Z: 21 25.273 2.008 0.809 0.850 0.950 0.850 CB 1.213 21 residues pruned to eliminate duplicates Z: 23 24.943 1.951 1.068 0.820 0.909 0.682 CB 1.098 23 residues pruned to eliminate duplicates Z: 21 27.194 1.936 0.864 0.907 1.000 0.550 CB 1.198 21 residues pruned to eliminate duplicates Z: 22 23.463 1.989 0.878 0.824 0.952 0.810 CB 1.088 22 residues pruned to eliminate duplicates Z: 23 19.964 1.878 0.667 0.767 0.955 0.591 CB 1.124 23 residues pruned to eliminate duplicates Z: 21 22.367 1.979 0.675 0.884 0.950 0.700 CB 1.148 21 residues pruned to eliminate duplicates Z: 22 20.849 1.974 0.662 0.806 0.905 0.762 CB 1.174 22 residues pruned to eliminate duplicates Z: 22 20.058 1.917 0.634 0.747 0.857 0.714 CB 1.308 22 residues pruned to eliminate duplicates Z: 27 27.175 1.842 0.743 0.764 0.962 0.654 CB 1.366 28 residues pruned to eliminate duplicates Z: 17 20.643 1.927 0.263 0.922 1.000 1.000 CB 1.491 17 residues pruned to eliminate duplicates Z: 19 11.369 1.832 0.127 0.598 0.889 0.444 CB 1.330 19 residues pruned to eliminate duplicates Z: 9 7.585 1.584 0.243 0.670 1.000 0.625 N 1.164 9 residues pruned to eliminate duplicates Z: 12 9.186 1.674 0.371 0.715 0.909 0.636 CB 1.092 12 residues pruned to eliminate duplicates Z: 21 20.398 1.910 0.454 0.814 0.950 0.900 CB 1.315 21 residues pruned to eliminate duplicates Z: 21 18.675 1.890 0.361 0.804 0.950 0.950 CB 1.311 21 residues pruned to eliminate duplicates Z: 16 19.794 1.992 0.531 0.727 0.933 0.800 CB 1.464 16 residues pruned to eliminate duplicates Z: 20 22.053 1.907 0.598 0.792 1.000 0.684 CB 1.285 20 residues pruned to eliminate duplicates Z: 21 19.285 1.916 0.467 0.810 0.950 0.850 CB 1.232 21 residues pruned to eliminate duplicates Z: 19 21.815 1.988 0.507 0.792 0.944 0.722 CB 1.407 19 residues pruned to eliminate duplicates Z: 35 25.608 1.949 0.555 0.730 0.853 0.618 CB 1.381 35 residues pruned to eliminate duplicates Z: 19 19.571 1.968 0.502 0.768 0.944 0.611 CB 1.303 19 residues pruned to eliminate duplicates Z: 19 23.534 1.995 0.392 0.841 1.000 0.889 CB 1.490 19 residues pruned to eliminate duplicates Z: 21 15.959 1.913 0.679 0.557 0.750 0.600 CB 1.401 21 residues pruned to eliminate duplicates Z: 22 18.889 1.941 0.454 0.706 0.905 0.714 CB 1.338 22 residues pruned to eliminate duplicates Z: 20 22.256 1.960 0.512 0.789 0.947 0.789 CB 1.411 20 residues pruned to eliminate duplicates Z: 18 11.954 1.869 0.582 0.569 0.706 0.471 CB 1.300 18 residues pruned to eliminate duplicates Z: 21 18.287 1.873 0.424 0.802 0.950 0.800 CB 1.240 21 residues pruned to eliminate duplicates Z: 22 19.617 1.916 0.551 0.715 0.905 0.619 CB 1.311 22 residues pruned to eliminate duplicates Z: 19 22.193 1.993 0.530 0.771 0.944 0.722 CB 1.429 19 residues pruned to eliminate duplicates Z: 27 19.198 1.856 0.441 0.677 0.923 0.654 CB 1.296 27 residues pruned to eliminate duplicates Z: 38 23.546 1.864 0.598 0.693 0.865 0.514 CB 1.259 38 residues pruned to eliminate duplicates Z: 36 27.575 1.897 0.524 0.746 0.943 0.657 CB 1.372 36 residues pruned to eliminate duplicates Z: 36 28.989 1.931 0.550 0.745 0.914 0.629 CB 1.438 36 residues pruned to eliminate duplicates Z: 14 15.885 1.934 0.785 0.744 0.769 0.462 CB 1.334 14 residues pruned to eliminate duplicates Z: 16 12.583 1.945 0.302 0.576 0.800 0.667 CB 1.491 16 residues pruned to eliminate duplicates Z: 36 29.755 1.940 0.565 0.741 0.914 0.629 CB 1.460 36 residues pruned to eliminate duplicates Z: 37 27.130 1.910 0.469 0.737 0.972 0.667 CB 1.341 37 residues pruned to eliminate duplicates Z: 18 14.091 1.927 0.420 0.541 0.765 0.588 CB 1.569 18 residues pruned to eliminate duplicates Z: 37 25.594 1.922 0.406 0.723 0.917 0.694 CB 1.408 37 residues pruned to eliminate duplicates Z: 35 27.301 1.925 0.540 0.721 0.912 0.647 CB 1.419 35 residues pruned to eliminate duplicates Z: 20 15.982 1.923 0.590 0.576 0.789 0.421 CB 1.411 20 residues pruned to eliminate duplicates Z: 36 24.323 1.828 0.588 0.703 0.886 0.600 CB 1.330 36 residues pruned to eliminate duplicates Z: 36 28.008 1.935 0.581 0.755 0.914 0.629 CB 1.348 36 residues pruned to eliminate duplicates Z: 14 19.099 1.882 0.938 0.847 0.846 0.769 CB 1.274 14 residues pruned to eliminate duplicates Z: 16 14.368 1.829 0.727 0.736 1.000 0.800 CB 0.950 14 residues pruned to eliminate duplicates Z: 20 14.152 1.791 0.533 0.859 0.947 0.842 CB 0.919 20 residues pruned to eliminate duplicates Z: 15 12.448 1.799 0.485 0.848 0.929 0.786 CB 0.995 15 residues pruned to eliminate duplicates Z: 15 17.475 1.838 0.779 0.808 1.000 0.929 CB 1.092 15 residues pruned to eliminate duplicates Z: 19 15.629 1.805 0.621 0.804 0.944 0.722 CB 1.022 19 residues pruned to eliminate duplicates Z: 16 20.139 1.817 0.820 0.896 0.933 0.733 CB 1.207 16 residues pruned to eliminate duplicates Z: 14 20.069 1.935 0.831 0.824 1.000 0.615 CB 1.186 14 residues pruned to eliminate duplicates Z: 17 21.400 1.825 0.954 0.799 1.000 0.750 CB 1.155 17 residues pruned to eliminate duplicates Z: 17 18.913 1.857 0.872 0.846 0.875 0.688 CB 1.156 17 residues pruned to eliminate duplicates Z: 16 18.597 1.840 1.045 0.873 1.000 0.267 CB 0.929 16 residues pruned to eliminate duplicates Z: 17 21.094 1.833 0.980 0.914 1.000 0.625 CB 1.028 17 residues pruned to eliminate duplicates Z: 18 22.040 1.823 1.016 0.928 1.000 0.294 CB 1.019 20 residues pruned to eliminate duplicates Z: 18 21.498 1.838 0.909 0.942 1.000 0.941 CB 1.031 18 residues pruned to eliminate duplicates Z: 18 20.338 1.734 1.086 0.926 0.941 0.176 CB 1.016 18 residues pruned to eliminate duplicates Z: 19 21.268 1.815 0.858 0.752 0.944 0.556 CB 1.257 19 residues pruned to eliminate duplicates Z: 34 25.805 1.802 0.581 0.829 0.939 0.727 CB 1.263 33 residues pruned to eliminate duplicates Z: 16 17.055 1.683 0.313 0.923 1.000 1.000 CB 1.401 16 residues pruned to eliminate duplicates Z: 31 19.700 1.759 0.669 0.734 0.900 0.433 CB 1.103 31 residues pruned to eliminate duplicates Z: 33 24.573 1.807 0.641 0.795 0.969 0.625 CB 1.168 33 residues pruned to eliminate duplicates Z: 14 14.643 1.761 0.294 0.888 0.923 0.692 CB 1.391 14 residues pruned to eliminate duplicates Z: 18 15.060 1.752 0.317 0.795 0.941 0.647 CB 1.299 17 residues pruned to eliminate duplicates Z: 12 16.481 1.797 0.579 0.904 1.000 0.909 CB 1.247 12 residues pruned to eliminate duplicates Z: 37 20.089 1.724 0.500 0.647 0.889 0.611 CB 1.270 33 residues pruned to eliminate duplicates Z: 19 17.909 1.619 0.535 0.923 1.000 0.944 CB 1.193 18 residues pruned to eliminate duplicates Z: 14 20.465 1.779 0.629 0.910 1.000 0.923 CB 1.389 15 residues pruned to eliminate duplicates Z: 15 17.406 1.709 0.422 0.890 1.000 0.857 CB 1.377 15 residues pruned to eliminate duplicates Z: 33 20.258 1.755 0.421 0.749 0.906 0.781 CB 1.270 28 residues pruned to eliminate duplicates Z: 16 15.945 1.690 0.437 0.914 1.000 1.000 CB 1.198 16 residues pruned to eliminate duplicates Z: 21 15.388 1.706 0.521 0.680 0.850 0.550 CB 1.321 21 residues pruned to eliminate duplicates Z: 47 23.418 1.769 0.562 0.718 0.913 0.522 CB 1.123 51 residues pruned to eliminate duplicates Z: 15 7.632 1.506 0.499 0.586 0.714 0.357 N 1.164 15 residues pruned to eliminate duplicates Z: 50 27.099 1.796 0.573 0.748 0.898 0.490 CB 1.223 50 residues pruned to eliminate duplicates Z: 33 16.745 1.685 0.476 0.616 0.875 0.656 CB 1.219 33 residues pruned to eliminate duplicates Z: 37 18.162 1.746 0.586 0.660 0.806 0.556 CB 1.170 37 residues pruned to eliminate duplicates Z: 41 22.378 1.793 0.533 0.720 0.875 0.600 CB 1.206 40 residues pruned to eliminate duplicates Z: 13 11.588 1.860 0.233 0.819 0.917 0.667 CB 1.207 13 residues pruned to eliminate duplicates Z: 12 7.510 1.760 0.149 0.448 1.000 0.545 CB 1.181 12 residues pruned to eliminate duplicates Z: 15 12.141 1.887 0.327 0.654 0.857 0.643 CB 1.311 15 residues pruned to eliminate duplicates Z: 52 27.298 1.763 0.522 0.740 0.922 0.549 CB 1.247 52 residues pruned to eliminate duplicates Z: 52 25.622 1.801 0.503 0.713 0.902 0.667 CB 1.212 52 residues pruned to eliminate duplicates Z: 18 12.444 1.807 0.274 0.756 0.941 0.706 CB 1.109 18 residues pruned to eliminate duplicates Z: 33 18.427 1.763 0.410 0.710 0.875 0.656 CB 1.237 33 residues pruned to eliminate duplicates Z: 10 13.374 1.829 0.617 0.811 1.000 0.889 CB 1.150 10 residues pruned to eliminate duplicates Z: 14 15.695 1.752 0.611 0.855 0.923 0.846 CB 1.233 14 residues pruned to eliminate duplicates Z: 34 14.400 1.739 0.313 0.697 0.818 0.697 CB 1.120 34 residues pruned to eliminate duplicates Z: 19 15.774 1.780 0.436 0.718 0.944 0.722 CB 1.264 19 residues pruned to eliminate duplicates Z: 20 14.446 1.700 0.416 0.696 0.947 0.737 CB 1.216 20 residues pruned to eliminate duplicates Z: 19 14.916 1.781 0.364 0.746 0.944 0.778 CB 1.230 19 residues pruned to eliminate duplicates Z: 20 12.026 1.708 0.342 0.754 0.895 0.737 CB 1.073 20 residues pruned to eliminate duplicates Z: 15 12.078 1.709 0.369 0.767 0.929 0.643 CB 1.173 15 residues pruned to eliminate duplicates Z: 11 7.938 1.673 0.433 0.775 0.800 0.600 CB 1.026 11 residues pruned to eliminate duplicates Z: 10 8.946 1.768 0.210 0.694 1.000 0.333 CB 1.167 10 residues pruned to eliminate duplicates Z: 14 13.418 1.712 0.595 0.750 1.000 0.538 CB 1.090 14 residues pruned to eliminate duplicates Z: 15 13.527 1.727 0.443 0.841 0.929 0.643 CB 1.164 15 residues pruned to eliminate duplicates Z: 12 14.155 1.749 0.527 0.890 0.909 0.727 CB 1.265 12 residues pruned to eliminate duplicates Z: 12 11.761 1.749 0.362 0.822 1.000 0.636 CB 1.126 12 residues pruned to eliminate duplicates Z: 15 17.281 1.777 0.558 0.833 1.000 0.786 CB 1.251 17 residues pruned to eliminate duplicates Z: 15 13.449 1.713 0.487 0.885 0.929 0.929 CB 1.098 15 residues pruned to eliminate duplicates Z: 18 14.403 1.697 0.415 0.745 0.941 0.588 CB 1.241 18 residues pruned to eliminate duplicates Z: 18 14.482 1.671 0.483 0.825 0.941 0.706 CB 1.136 17 residues pruned to eliminate duplicates Z: 16 16.301 1.705 0.602 0.830 0.933 0.600 CB 1.242 18 residues pruned to eliminate duplicates Z: 15 12.343 1.722 0.441 0.891 0.929 0.929 CB 1.030 15 residues pruned to eliminate duplicates Z: 16 13.261 1.719 0.741 0.785 0.867 0.533 CB 1.027 16 residues pruned to eliminate duplicates Z: 26 10.755 1.666 0.332 0.650 0.800 0.480 CB 1.054 26 residues pruned to eliminate duplicates Z: 21 13.645 1.683 0.475 0.717 0.900 0.700 CB 1.122 21 residues pruned to eliminate duplicates Z: 20 13.787 1.677 0.446 0.702 0.947 0.474 CB 1.145 20 residues pruned to eliminate duplicates Z: 20 14.035 1.672 0.543 0.712 0.895 0.579 CB 1.150 20 residues pruned to eliminate duplicates Z: 16 14.253 1.781 0.438 0.848 1.000 0.867 CB 1.066 16 residues pruned to eliminate duplicates Z: 9 8.205 1.772 0.600 0.549 0.875 0.500 CB 1.114 9 residues pruned to eliminate duplicates Z: 11 7.241 1.735 0.412 0.522 0.900 0.500 CB 1.017 11 residues pruned to eliminate duplicates Z: 12 9.923 1.809 0.474 0.712 1.000 0.455 CB 0.926 12 residues pruned to eliminate duplicates Z: 14 12.228 1.846 0.443 0.694 1.000 0.769 CB 1.066 14 residues pruned to eliminate duplicates Z: 15 11.622 1.784 0.570 0.676 0.929 0.857 CB 1.016 15 residues pruned to eliminate duplicates Z: 15 14.373 1.798 0.667 0.651 1.000 0.714 CB 1.114 15 residues pruned to eliminate duplicates Z: 14 18.342 1.822 0.693 0.899 1.000 0.846 CB 1.179 15 residues pruned to eliminate duplicates Z: 14 16.420 1.871 0.740 0.897 0.923 0.846 CB 1.084 14 residues pruned to eliminate duplicates Z: 12 14.846 1.917 0.708 0.816 1.000 0.909 CB 1.038 12 residues pruned to eliminate duplicates Z: 15 14.015 1.806 0.639 0.656 1.000 0.857 CB 1.094 13 residues pruned to eliminate duplicates Z: 15 20.486 1.810 0.857 0.909 1.000 0.857 CB 1.156 17 residues pruned to eliminate duplicates Z: 16 12.121 1.712 0.824 0.842 0.800 0.533 CB 0.934 16 residues pruned to eliminate duplicates Z: 17 14.350 1.824 0.615 0.729 0.938 0.688 CB 1.057 17 residues pruned to eliminate duplicates Z: 20 13.307 1.805 0.675 0.615 0.842 0.684 CB 1.076 20 residues pruned to eliminate duplicates Z: 21 5.967 1.800 0.252 0.447 0.750 0.450 CB 0.833 19 residues pruned to eliminate duplicates Z: 7 3.044 1.688 0.448 0.429 0.833 0.667 CB 0.656 7 residues pruned to eliminate duplicates Z: 7 2.027 1.808 0.506 0.389 0.833 0.667 CB 0.410 7 residues pruned to eliminate duplicates Z: 7 2.847 1.804 0.755 0.397 0.833 0.667 CB 0.491 7 residues pruned to eliminate duplicates Z: 12 7.743 1.888 0.599 0.546 0.909 0.636 CB 0.813 12 residues pruned to eliminate duplicates Z: 19 16.958 2.033 0.484 0.940 1.000 0.833 CB 0.920 19 residues pruned to eliminate duplicates Z: 11 11.037 2.053 0.672 0.731 0.900 0.900 CB 0.918 11 residues pruned to eliminate duplicates Z: 9 6.972 1.759 0.983 0.648 0.875 0.875 CB 0.704 9 residues pruned to eliminate duplicates Z: 23 16.989 1.945 0.723 0.795 0.909 0.682 CB 0.918 23 residues pruned to eliminate duplicates Z: 20 16.837 2.011 0.772 0.878 0.947 0.737 CB 0.830 20 residues pruned to eliminate duplicates Z: 36 22.215 1.902 0.644 0.699 0.886 0.600 CB 1.132 39 residues pruned to eliminate duplicates Z: 17 21.618 2.029 1.132 0.913 0.938 0.812 CB 0.943 17 residues pruned to eliminate duplicates Z: 19 20.540 1.981 0.963 0.769 0.944 0.556 CB 1.039 19 residues pruned to eliminate duplicates Z: 39 22.505 1.914 0.676 0.735 0.842 0.737 CB 1.094 32 residues pruned to eliminate duplicates Z: 16 25.794 1.986 1.105 0.934 1.000 0.867 CB 1.111 16 residues pruned to eliminate duplicates Z: 20 18.779 1.988 1.106 0.769 0.947 0.632 CB 0.856 20 residues pruned to eliminate duplicates Z: 17 18.729 2.029 1.052 0.847 0.938 0.812 CB 0.891 17 residues pruned to eliminate duplicates Z: 23 19.067 1.915 0.979 0.718 0.955 0.636 CB 0.923 23 residues pruned to eliminate duplicates Z: 19 17.913 2.033 1.002 0.785 0.889 0.611 CB 0.908 19 residues pruned to eliminate duplicates Z: 20 18.728 2.008 1.106 0.785 0.842 0.474 CB 0.939 20 residues pruned to eliminate duplicates Z: 29 22.448 1.939 0.795 0.781 0.964 0.821 CB 0.987 29 residues pruned to eliminate duplicates Z: 29 21.433 1.954 0.888 0.719 0.857 0.571 CB 1.051 29 residues pruned to eliminate duplicates Z: 37 27.264 1.977 0.673 0.787 0.889 0.694 CB 1.202 40 residues pruned to eliminate duplicates Z: 36 32.440 1.918 0.964 0.819 0.943 0.686 CB 1.170 36 residues pruned to eliminate duplicates Z: 18 25.973 1.889 0.565 0.890 1.000 0.882 CB 1.534 18 residues pruned to eliminate duplicates Z: 24 15.922 1.907 0.875 0.648 0.783 0.435 CB 1.034 24 residues pruned to eliminate duplicates Z: 36 29.315 1.997 0.710 0.818 0.971 0.771 CB 1.134 36 residues pruned to eliminate duplicates Z: 20 26.695 1.837 0.631 0.890 1.000 0.789 CB 1.470 20 residues pruned to eliminate duplicates Z: 38 31.256 1.960 0.746 0.811 0.973 0.703 CB 1.177 38 residues pruned to eliminate duplicates Z: 42 28.937 1.944 0.657 0.723 0.927 0.610 CB 1.237 42 residues pruned to eliminate duplicates Z: 34 29.212 1.990 0.777 0.794 0.879 0.636 CB 1.264 34 residues pruned to eliminate duplicates Z: 39 29.631 1.958 0.748 0.744 0.921 0.579 CB 1.225 35 residues pruned to eliminate duplicates Z: 19 28.125 1.895 0.679 0.871 1.000 0.778 CB 1.520 19 residues pruned to eliminate duplicates Z: 23 20.111 1.897 0.491 0.712 0.909 0.727 CB 1.376 23 residues pruned to eliminate duplicates Z: 37 29.186 1.932 0.811 0.734 0.917 0.583 CB 1.229 37 residues pruned to eliminate duplicates Z: 34 29.120 2.027 0.766 0.815 0.970 0.606 CB 1.111 34 residues pruned to eliminate duplicates Z: 36 31.424 1.938 0.841 0.773 0.914 0.514 CB 1.280 36 residues pruned to eliminate duplicates Z: 23 19.304 1.902 0.529 0.720 0.909 0.682 CB 1.275 23 residues pruned to eliminate duplicates Z: 50 26.448 1.891 0.680 0.669 0.857 0.633 CB 1.187 54 residues pruned to eliminate duplicates Z: 20 22.100 1.850 0.426 0.844 1.000 0.684 CB 1.430 20 residues pruned to eliminate duplicates Z: 38 29.115 1.976 0.594 0.723 0.919 0.676 CB 1.353 38 residues pruned to eliminate duplicates Z: 47 27.302 1.933 0.742 0.717 0.957 0.674 CB 1.027 47 residues pruned to eliminate duplicates Z: 41 25.182 1.901 0.802 0.653 0.875 0.625 CB 1.152 41 residues pruned to eliminate duplicates Z: 46 23.840 1.892 0.836 0.577 0.889 0.511 CB 1.069 46 residues pruned to eliminate duplicates Z: 13 8.035 1.663 0.734 0.465 0.917 0.417 CB 0.910 13 residues pruned to eliminate duplicates Z: 42 26.463 1.940 0.790 0.703 0.854 0.634 CB 1.159 42 residues pruned to eliminate duplicates Z: 45 29.572 1.946 0.769 0.687 0.932 0.591 CB 1.171 45 residues pruned to eliminate duplicates Z: 16 14.386 2.067 0.254 0.699 0.933 0.667 CB 1.281 16 residues pruned to eliminate duplicates Z: 49 27.648 1.920 0.551 0.653 0.938 0.562 CB 1.239 49 residues pruned to eliminate duplicates Z: 23 13.869 1.850 0.459 0.589 0.909 0.545 CB 1.107 23 residues pruned to eliminate duplicates Z: 54 31.996 1.957 0.676 0.699 0.925 0.566 CB 1.209 54 residues pruned to eliminate duplicates Z: 53 33.269 1.951 0.774 0.722 0.923 0.519 CB 1.182 53 residues pruned to eliminate duplicates Z: 24 13.828 1.805 0.600 0.571 0.913 0.609 CB 1.021 24 residues pruned to eliminate duplicates Z: 62 32.403 1.938 0.764 0.759 0.918 0.525 CB 1.050 62 residues pruned to eliminate duplicates Z: 19 16.729 1.946 0.695 0.703 0.833 0.667 CB 1.192 19 residues pruned to eliminate duplicates Z: 61 34.936 1.973 0.683 0.777 0.917 0.633 CB 1.160 61 residues pruned to eliminate duplicates Z: 20 26.700 2.032 0.716 0.899 0.947 0.632 CB 1.325 20 residues pruned to eliminate duplicates Z: 65 36.055 1.948 0.688 0.766 0.953 0.641 CB 1.136 65 residues pruned to eliminate duplicates Z: 32 21.812 1.833 0.738 0.640 0.903 0.548 CB 1.195 32 residues pruned to eliminate duplicates Z: 23 22.164 1.937 0.788 0.791 0.909 0.727 CB 1.162 23 residues pruned to eliminate duplicates Z: 44 21.021 1.872 0.611 0.642 0.837 0.442 CB 1.111 44 residues pruned to eliminate duplicates Z: 61 40.462 1.975 0.903 0.785 0.967 0.567 CB 1.119 61 residues pruned to eliminate duplicates Z: 19 26.466 2.017 0.958 0.917 0.944 0.722 CB 1.181 19 residues pruned to eliminate duplicates Z: 28 24.050 1.931 0.697 0.739 0.926 0.556 CB 1.231 28 residues pruned to eliminate duplicates Z: 51 25.238 1.897 0.435 0.694 0.900 0.580 CB 1.220 42 residues pruned to eliminate duplicates Z: 37 27.399 1.952 0.494 0.815 0.917 0.667 CB 1.298 37 residues pruned to eliminate duplicates Z: 98 39.070 1.913 0.648 0.683 0.887 0.639 CB 1.199 104 residues pruned to eliminate duplicates Z: 20 15.250 1.878 0.283 0.729 0.947 0.789 CB 1.248 20 residues pruned to eliminate duplicates Z: 26 18.008 1.904 0.605 0.670 0.880 0.520 CB 1.144 26 residues pruned to eliminate duplicates Z: 17 12.699 1.877 0.285 0.748 0.875 0.562 CB 1.206 17 residues pruned to eliminate duplicates Z: 21 10.865 1.829 0.190 0.623 0.850 0.450 CB 1.170 21 residues pruned to eliminate duplicates Z: 104 43.484 1.912 0.697 0.734 0.913 0.592 CB 1.172 106 residues pruned to eliminate duplicates Z: 21 16.835 1.718 0.475 0.791 0.950 0.600 CB 1.211 21 residues pruned to eliminate duplicates Z: 77 36.261 1.904 0.578 0.707 0.921 0.539 CB 1.244 77 residues pruned to eliminate duplicates Z: 41 27.383 1.934 0.626 0.740 0.950 0.750 CB 1.169 39 residues pruned to eliminate duplicates Z: 18 15.701 1.889 0.401 0.889 0.941 0.882 CB 1.101 18 residues pruned to eliminate duplicates Z: 42 28.280 1.938 0.629 0.734 0.878 0.634 CB 1.292 41 residues pruned to eliminate duplicates Z: 19 17.190 1.847 0.608 0.801 0.944 0.833 CB 1.111 19 residues pruned to eliminate duplicates Z: 76 34.727 1.908 0.696 0.707 0.880 0.573 CB 1.167 76 residues pruned to eliminate duplicates Z: 22 13.395 1.786 0.485 0.662 0.810 0.524 CB 1.171 22 residues pruned to eliminate duplicates Z: 86 42.386 1.938 0.847 0.739 0.918 0.518 CB 1.130 86 residues pruned to eliminate duplicates Z: 22 15.396 1.824 0.480 0.678 0.905 0.667 CB 1.168 22 residues pruned to eliminate duplicates Z: 43 31.662 1.925 0.664 0.752 0.952 0.571 CB 1.279 43 residues pruned to eliminate duplicates Z: 25 17.515 1.902 0.422 0.676 0.917 0.750 CB 1.226 25 residues pruned to eliminate duplicates Z: 60 33.885 1.908 0.720 0.744 0.881 0.678 CB 1.226 60 residues pruned to eliminate duplicates Z: 68 31.642 1.893 0.658 0.675 0.881 0.522 CB 1.191 68 residues pruned to eliminate duplicates Z: 37 22.845 1.862 0.577 0.679 0.861 0.694 CB 1.277 37 residues pruned to eliminate duplicates Z: 29 13.918 1.828 0.317 0.587 0.929 0.536 CB 1.082 29 residues pruned to eliminate duplicates Z: 32 24.897 1.927 0.644 0.732 0.968 0.774 CB 1.183 32 residues pruned to eliminate duplicates Z: 99 38.701 1.923 0.638 0.721 0.949 0.622 CB 1.072 99 residues pruned to eliminate duplicates Z: 41 27.663 1.933 0.591 0.729 0.925 0.750 CB 1.252 41 residues pruned to eliminate duplicates Z: 36 18.986 1.838 0.355 0.634 0.914 0.600 CB 1.243 25 residues pruned to eliminate duplicates Z: 18 30.215 1.902 0.848 0.921 1.000 0.824 CB 1.467 18 residues pruned to eliminate duplicates Z: 39 25.207 1.926 0.503 0.721 0.974 0.658 CB 1.188 39 residues pruned to eliminate duplicates Z: 13 25.691 2.014 0.891 0.909 1.000 0.667 CB 1.382 13 residues pruned to eliminate duplicates Z: 40 25.770 1.896 0.598 0.710 0.923 0.615 CB 1.219 40 residues pruned to eliminate duplicates Z: 38 31.125 1.959 0.688 0.771 0.973 0.784 CB 1.251 38 residues pruned to eliminate duplicates Z: 42 24.404 1.909 0.511 0.688 0.878 0.585 CB 1.267 42 residues pruned to eliminate duplicates Z: 42 21.233 1.889 0.438 0.704 0.878 0.659 CB 1.155 42 residues pruned to eliminate duplicates Z: 100 42.291 1.924 0.744 0.709 0.919 0.616 CB 1.140 100 residues pruned to eliminate duplicates Z: 21 24.192 1.952 0.733 0.745 0.850 0.550 CB 1.510 21 residues pruned to eliminate duplicates Z: 44 25.953 1.931 0.520 0.696 0.930 0.674 CB 1.212 44 residues pruned to eliminate duplicates Z: 43 29.015 1.907 0.603 0.737 0.881 0.690 CB 1.344 55 residues pruned to eliminate duplicates Z: 18 30.808 1.871 0.836 0.932 1.000 0.941 CB 1.519 17 residues pruned to eliminate duplicates Z: 17 26.728 1.944 0.787 0.923 1.000 0.938 CB 1.351 17 residues pruned to eliminate duplicates Z: 19 29.370 1.793 1.026 0.917 0.944 0.722 CB 1.424 19 residues pruned to eliminate duplicates Z: 19 25.146 1.966 0.982 0.805 0.889 0.611 CB 1.311 19 residues pruned to eliminate duplicates 6 1.636 1.451 0.572 0.100 0.600 0.200 N 0.891 ? Z: 7 3.083 1.449 0.311 0.612 0.667 0.333 CB 0.894 7 residues pruned to eliminate duplicates Z: 21 9.485 1.686 0.504 0.619 0.850 0.450 CB 0.880 20 residues pruned to eliminate duplicates Z: 23 16.291 1.827 0.428 0.895 1.000 0.864 CB 0.954 24 residues pruned to eliminate duplicates Z: 19 11.098 1.685 0.521 0.848 0.944 0.722 CB 0.802 19 residues pruned to eliminate duplicates Z: 9 9.162 1.679 0.794 0.733 0.875 0.500 CB 0.997 9 residues pruned to eliminate duplicates Z: 21 17.849 1.823 0.735 0.913 1.000 0.750 CB 0.894 23 residues pruned to eliminate duplicates Z: 19 15.372 1.816 0.873 0.904 0.944 0.889 CB 0.803 19 residues pruned to eliminate duplicates Z: 18 12.660 1.786 0.582 0.812 0.882 0.588 CB 0.939 18 residues pruned to eliminate duplicates Z: 29 15.414 1.781 0.786 0.724 0.893 0.536 CB 0.838 29 residues pruned to eliminate duplicates Z: 18 14.394 1.811 0.816 0.866 1.000 0.588 CB 0.777 18 residues pruned to eliminate duplicates Z: 18 18.781 1.913 1.044 0.827 0.882 0.706 CB 0.995 18 residues pruned to eliminate duplicates Z: 23 13.722 1.834 0.863 0.730 0.909 0.682 CB 0.766 23 residues pruned to eliminate duplicates Z: 24 16.932 1.808 0.714 0.831 0.870 0.652 CB 0.984 24 residues pruned to eliminate duplicates Z: 21 18.177 1.848 0.871 0.858 0.900 0.650 CB 0.962 21 residues pruned to eliminate duplicates Z: 23 17.739 1.867 0.737 0.774 0.909 0.591 CB 1.006 23 residues pruned to eliminate duplicates Z: 23 16.878 1.815 0.885 0.752 0.864 0.636 CB 0.973 23 residues pruned to eliminate duplicates Z: 27 20.990 1.886 0.860 0.751 0.962 0.577 CB 0.976 27 residues pruned to eliminate duplicates Z: 23 19.844 1.898 0.816 0.787 0.909 0.682 CB 1.049 23 residues pruned to eliminate duplicates Z: 26 19.092 1.842 0.743 0.802 0.880 0.720 CB 1.038 24 residues pruned to eliminate duplicates Z: 21 17.449 1.795 0.650 0.784 0.900 0.700 CB 1.140 21 residues pruned to eliminate duplicates Z: 29 21.433 1.852 0.599 0.724 0.929 0.679 CB 1.203 29 residues pruned to eliminate duplicates Z: 30 20.622 1.803 0.921 0.774 0.966 0.483 CB 0.899 30 residues pruned to eliminate duplicates Z: 24 16.259 1.796 0.813 0.664 0.826 0.435 CB 1.083 24 residues pruned to eliminate duplicates Z: 20 17.766 1.913 0.780 0.676 0.895 0.526 CB 1.138 20 residues pruned to eliminate duplicates Z: 8 8.322 1.856 0.686 0.729 0.857 0.429 CB 0.954 8 residues pruned to eliminate duplicates Z: 25 18.897 1.886 0.780 0.810 0.917 0.708 CB 0.957 25 residues pruned to eliminate duplicates Z: 21 16.769 1.883 0.682 0.703 0.950 0.700 CB 1.035 21 residues pruned to eliminate duplicates Z: 37 26.093 1.816 0.680 0.794 0.944 0.694 CB 1.167 39 residues pruned to eliminate duplicates Z: 29 20.859 1.818 0.579 0.773 0.929 0.571 CB 1.162 26 residues pruned to eliminate duplicates Z: 18 19.602 1.803 0.720 0.884 0.882 0.765 CB 1.255 19 residues pruned to eliminate duplicates Z: 20 15.634 1.783 0.672 0.808 0.842 0.421 CB 1.093 20 residues pruned to eliminate duplicates Z: 36 22.857 1.780 0.684 0.705 0.971 0.629 CB 1.101 36 residues pruned to eliminate duplicates Z: 27 18.169 1.819 0.674 0.722 0.885 0.500 CB 1.082 27 residues pruned to eliminate duplicates Z: 38 26.283 1.849 0.766 0.814 0.892 0.541 CB 1.129 38 residues pruned to eliminate duplicates Z: 36 19.934 1.764 0.749 0.668 0.800 0.429 CB 1.168 36 residues pruned to eliminate duplicates Z: 10 8.937 1.713 0.266 0.728 0.889 0.556 CB 1.260 10 residues pruned to eliminate duplicates Z: 30 21.084 1.842 0.893 0.779 0.931 0.310 CB 0.943 30 residues pruned to eliminate duplicates Z: 10 11.780 1.867 0.543 0.668 0.889 0.667 CB 1.313 10 residues pruned to eliminate duplicates Z: 21 21.363 1.945 0.478 0.932 1.000 0.900 CB 1.161 21 residues pruned to eliminate duplicates Z: 25 25.168 1.847 0.677 0.874 1.000 0.792 CB 1.207 25 residues pruned to eliminate duplicates Z: 20 22.984 2.003 0.545 0.884 1.000 1.000 CB 1.231 20 residues pruned to eliminate duplicates Z: 22 22.927 1.939 0.623 0.822 1.000 0.857 CB 1.203 22 residues pruned to eliminate duplicates Z: 19 19.626 1.856 0.623 0.794 0.944 0.889 CB 1.257 19 residues pruned to eliminate duplicates Z: 22 21.598 1.962 0.658 0.768 1.000 0.714 CB 1.143 22 residues pruned to eliminate duplicates Z: 30 18.716 1.808 0.455 0.680 1.000 0.655 CB 1.120 30 residues pruned to eliminate duplicates Z: 22 28.120 1.976 0.634 0.883 1.000 0.857 CB 1.374 22 residues pruned to eliminate duplicates Z: 26 19.687 1.889 0.473 0.749 0.960 0.840 CB 1.181 26 residues pruned to eliminate duplicates Z: 21 28.897 2.009 0.697 0.922 1.000 0.650 CB 1.332 21 residues pruned to eliminate duplicates Z: 30 24.713 1.864 0.734 0.725 0.897 0.655 CB 1.292 30 residues pruned to eliminate duplicates Z: 22 29.024 1.985 0.826 0.894 1.000 0.857 CB 1.253 22 residues pruned to eliminate duplicates Z: 20 29.339 2.026 0.853 0.917 1.000 0.789 CB 1.265 20 residues pruned to eliminate duplicates Z: 20 31.211 2.050 0.851 0.943 1.000 0.895 CB 1.308 20 residues pruned to eliminate duplicates Z: 22 28.782 1.928 0.936 0.799 0.952 0.762 CB 1.360 22 residues pruned to eliminate duplicates Z: 20 25.493 1.981 0.911 0.838 0.947 0.842 CB 1.218 20 residues pruned to eliminate duplicates Z: 19 27.776 2.014 0.888 0.900 1.000 0.833 CB 1.231 19 residues pruned to eliminate duplicates Z: 34 33.363 1.980 0.858 0.794 0.970 0.788 CB 1.258 34 residues pruned to eliminate duplicates Z: 42 33.361 1.965 0.695 0.814 0.976 0.854 CB 1.221 42 residues pruned to eliminate duplicates Z: 44 32.688 1.904 0.722 0.817 0.977 0.791 CB 1.182 44 residues pruned to eliminate duplicates Z: 19 16.726 1.944 0.513 0.652 0.889 0.722 CB 1.309 19 residues pruned to eliminate duplicates Z: 18 14.252 1.943 0.661 0.614 0.824 0.529 CB 1.167 18 residues pruned to eliminate duplicates Z: 22 23.494 1.979 0.612 0.727 0.952 0.667 CB 1.374 22 residues pruned to eliminate duplicates Z: 23 19.994 1.957 0.478 0.764 0.909 0.818 CB 1.283 23 residues pruned to eliminate duplicates Z: 39 26.574 1.927 0.918 0.758 0.895 0.579 CB 1.036 39 residues pruned to eliminate duplicates Z: 17 16.925 1.890 1.060 0.599 0.812 0.500 CB 1.217 17 residues pruned to eliminate duplicates Z: 37 31.535 1.958 0.891 0.805 0.944 0.667 CB 1.152 36 residues pruned to eliminate duplicates Z: 22 26.497 1.952 0.905 0.793 0.905 0.524 CB 1.329 22 residues pruned to eliminate duplicates Z: 20 27.984 1.994 0.889 0.887 1.000 0.842 CB 1.229 20 residues pruned to eliminate duplicates Z: 23 27.528 1.948 0.953 0.784 0.909 0.682 CB 1.322 23 residues pruned to eliminate duplicates Z: 29 22.201 1.875 0.986 0.644 0.821 0.536 CB 1.199 29 residues pruned to eliminate duplicates Z: 22 26.083 1.969 0.828 0.802 0.952 0.762 CB 1.276 22 residues pruned to eliminate duplicates Z: 43 34.658 1.919 0.840 0.777 0.905 0.738 CB 1.312 42 residues pruned to eliminate duplicates Z: 19 30.926 2.024 0.849 0.927 1.000 0.889 CB 1.365 19 residues pruned to eliminate duplicates Z: 22 27.648 1.958 0.814 0.830 0.952 0.619 CB 1.341 22 residues pruned to eliminate duplicates Z: 20 20.294 1.918 0.671 0.617 0.947 0.684 CB 1.373 19 residues pruned to eliminate duplicates Z: 19 29.686 2.003 0.890 0.933 1.000 0.889 CB 1.290 20 residues pruned to eliminate duplicates Z: 19 28.287 1.996 0.811 0.908 1.000 0.722 CB 1.309 19 residues pruned to eliminate duplicates Z: 15 24.495 1.940 0.841 0.891 1.000 0.857 CB 1.318 15 residues pruned to eliminate duplicates Z: 15 19.222 1.842 0.576 0.794 0.929 0.500 CB 1.473 15 residues pruned to eliminate duplicates Z: 12 16.676 1.883 0.952 0.694 0.909 0.636 CB 1.260 12 residues pruned to eliminate duplicates Z: 9 19.098 2.046 1.160 0.802 0.875 0.875 CB 1.341 9 residues pruned to eliminate duplicates Z: 13 20.361 1.878 0.893 0.610 1.000 0.583 CB 1.490 13 residues pruned to eliminate duplicates Z: 15 27.777 1.937 0.913 0.896 1.000 0.857 CB 1.436 15 residues pruned to eliminate duplicates Z: 15 24.406 1.977 0.776 0.934 1.000 0.929 CB 1.295 15 residues pruned to eliminate duplicates Z: 14 23.980 1.930 0.782 0.889 1.000 0.769 CB 1.393 14 residues pruned to eliminate duplicates Z: 21 19.449 1.810 0.614 0.730 0.850 0.550 CB 1.423 21 residues pruned to eliminate duplicates Z: 13 26.597 1.910 0.937 0.861 1.000 0.750 CB 1.526 13 residues pruned to eliminate duplicates Z: 15 27.854 1.931 0.812 0.919 1.000 0.929 CB 1.500 15 residues pruned to eliminate duplicates Z: 38 26.348 1.859 0.585 0.743 0.946 0.730 CB 1.250 38 residues pruned to eliminate duplicates Z: 14 24.381 1.934 0.854 0.888 1.000 0.923 CB 1.358 14 residues pruned to eliminate duplicates Z: 17 27.713 1.890 0.993 0.863 1.000 0.688 CB 1.350 17 residues pruned to eliminate duplicates Z: 15 29.040 1.948 0.900 0.921 1.000 0.857 CB 1.475 15 residues pruned to eliminate duplicates Z: 6 3.416 1.596 0.522 0.684 1.000 1.000 CB 0.531 5 residues pruned to eliminate duplicates Z: 9 5.718 1.524 0.515 0.822 1.000 0.875 CB 0.662 9 residues pruned to eliminate duplicates Z: 13 9.775 1.593 0.421 0.672 1.000 0.583 CB 1.063 13 residues pruned to eliminate duplicates Z: 9 10.417 1.692 0.889 0.863 1.000 0.750 CB 0.845 9 residues pruned to eliminate duplicates Z: 11 7.877 1.745 0.584 0.889 0.900 0.800 CB 0.721 11 residues pruned to eliminate duplicates Z: 21 15.066 1.814 0.494 0.787 1.000 0.700 CB 0.966 21 residues pruned to eliminate duplicates Z: 16 11.959 1.789 0.699 0.743 0.933 0.667 CB 0.876 16 residues pruned to eliminate duplicates Z: 24 11.820 1.811 0.636 0.637 0.783 0.565 CB 0.935 24 residues pruned to eliminate duplicates Z: 16 11.214 1.818 0.541 0.714 0.800 0.733 CB 1.064 16 residues pruned to eliminate duplicates Z: 20 11.833 1.828 0.658 0.602 0.789 0.632 CB 1.029 20 residues pruned to eliminate duplicates Z: 24 10.825 1.796 0.457 0.564 0.783 0.522 CB 1.036 24 residues pruned to eliminate duplicates Z: 21 11.068 1.826 0.831 0.626 0.700 0.450 CB 0.939 21 residues pruned to eliminate duplicates Z: 13 12.047 1.912 1.093 0.804 0.833 0.750 CB 0.800 13 residues pruned to eliminate duplicates Z: 16 12.308 1.814 0.947 0.760 0.867 0.667 CB 0.824 16 residues pruned to eliminate duplicates Z: 22 13.340 1.834 0.546 0.657 0.857 0.524 CB 1.036 22 residues pruned to eliminate duplicates Z: 17 14.260 1.862 0.661 0.794 0.938 0.688 CB 0.950 17 residues pruned to eliminate duplicates Z: 17 13.210 1.879 0.686 0.715 0.875 0.625 CB 0.981 17 residues pruned to eliminate duplicates Z: 20 10.992 1.794 0.767 0.651 0.789 0.684 CB 0.875 20 residues pruned to eliminate duplicates Z: 30 14.655 1.790 0.552 0.763 0.897 0.793 CB 0.865 30 residues pruned to eliminate duplicates Z: 17 8.447 1.752 0.546 0.481 0.812 0.562 CB 0.978 17 residues pruned to eliminate duplicates Z: 22 11.425 1.821 0.764 0.651 0.857 0.476 CB 0.787 22 residues pruned to eliminate duplicates Z: 10 4.610 1.853 0.344 0.512 0.667 0.333 CB 0.914 10 residues pruned to eliminate duplicates Z: 19 10.793 1.638 0.616 0.635 0.833 0.278 CB 1.016 19 residues pruned to eliminate duplicates Z: 29 17.031 1.803 0.841 0.730 0.821 0.571 CB 0.960 29 residues pruned to eliminate duplicates Z: 14 14.589 1.722 0.709 0.797 0.923 0.615 CB 1.149 14 residues pruned to eliminate duplicates Z: 28 15.329 1.786 0.784 0.789 0.889 0.667 CB 0.808 28 residues pruned to eliminate duplicates Z: 9 9.609 1.799 0.688 0.703 0.875 0.250 CB 1.063 9 residues pruned to eliminate duplicates Z: 17 12.022 1.756 0.560 0.778 1.000 0.438 CB 0.859 23 residues pruned to eliminate duplicates Z: 15 13.570 1.722 0.725 0.881 0.929 0.500 CB 0.952 13 residues pruned to eliminate duplicates Z: 16 11.790 1.729 0.689 0.893 1.000 0.800 CB 0.748 16 residues pruned to eliminate duplicates Z: 14 7.414 1.605 0.357 0.544 0.846 0.615 CB 1.068 11 residues pruned to eliminate duplicates Z: 16 12.440 1.708 0.646 0.753 0.933 0.400 CB 0.977 16 residues pruned to eliminate duplicates Z: 26 10.227 1.631 0.531 0.508 0.840 0.440 CB 0.967 19 residues pruned to eliminate duplicates Z: 24 21.842 1.753 0.737 0.834 0.957 0.826 CB 1.172 20 residues pruned to eliminate duplicates Z: 20 18.304 1.737 0.749 0.807 0.947 0.842 CB 1.117 20 residues pruned to eliminate duplicates Z: 23 9.410 1.625 0.688 0.455 0.773 0.545 CB 0.991 23 residues pruned to eliminate duplicates Z: 45 22.749 1.824 0.761 0.686 0.841 0.659 CB 1.071 56 residues pruned to eliminate duplicates Z: 9 8.221 1.633 0.674 0.809 0.625 0.625 CB 1.299 9 residues pruned to eliminate duplicates Z: 16 9.163 1.635 0.547 0.505 0.867 0.533 CB 1.073 16 residues pruned to eliminate duplicates Z: 42 24.080 1.775 0.684 0.739 0.902 0.683 CB 1.126 41 residues pruned to eliminate duplicates Z: 20 20.528 1.760 0.828 0.882 0.947 0.632 CB 1.117 20 residues pruned to eliminate duplicates Z: 11 8.653 1.648 0.921 0.459 0.700 0.200 CB 1.287 11 residues pruned to eliminate duplicates Z: 12 14.854 1.774 0.875 0.650 0.909 0.727 CB 1.288 12 residues pruned to eliminate duplicates Z: 55 14.459 1.707 0.506 0.490 0.796 0.500 CB 0.971 55 residues pruned to eliminate duplicates Z: 16 15.051 1.790 0.646 0.747 0.867 0.533 CB 1.220 16 residues pruned to eliminate duplicates Z: 10 15.922 1.964 0.595 0.728 1.000 0.778 CB 1.380 10 residues pruned to eliminate duplicates Z: 57 20.062 1.804 0.585 0.624 0.786 0.554 CB 1.061 57 residues pruned to eliminate duplicates Z: 23 13.366 1.705 0.682 0.601 0.818 0.455 CB 1.104 23 residues pruned to eliminate duplicates Z: 18 15.587 1.718 0.819 0.686 0.941 0.706 CB 1.084 18 residues pruned to eliminate duplicates Z: 16 20.524 1.790 0.941 0.822 0.933 0.600 CB 1.236 16 residues pruned to eliminate duplicates Z: 15 19.467 1.831 1.186 0.831 0.857 0.500 CB 1.139 15 residues pruned to eliminate duplicates Z: 16 14.243 1.798 0.726 0.841 0.800 0.467 CB 1.104 16 residues pruned to eliminate duplicates Z: 14 18.162 1.817 0.819 0.903 1.000 0.615 CB 1.086 14 residues pruned to eliminate duplicates Z: 52 19.387 1.788 0.760 0.680 0.824 0.549 CB 0.888 52 residues pruned to eliminate duplicates Z: 19 18.462 1.666 0.930 0.784 0.944 0.556 CB 1.116 17 residues pruned to eliminate duplicates Z: 7 2.494 1.648 0.453 0.683 0.667 0.333 CB 0.539 7 residues pruned to eliminate duplicates Z: 16 8.094 1.730 0.339 0.699 0.800 0.667 CB 0.941 16 residues pruned to eliminate duplicates Z: 23 22.847 1.971 0.560 0.899 1.000 0.909 CB 1.133 23 residues pruned to eliminate duplicates Z: 27 22.628 1.938 0.695 0.775 0.962 0.692 CB 1.102 27 residues pruned to eliminate duplicates Z: 29 21.824 1.935 0.729 0.761 0.893 0.750 CB 1.095 29 residues pruned to eliminate duplicates Z: 24 24.172 1.969 0.851 0.864 0.913 0.696 CB 1.111 24 residues pruned to eliminate duplicates Z: 23 25.822 2.036 0.816 0.895 0.955 0.727 CB 1.118 23 residues pruned to eliminate duplicates Z: 26 27.255 1.988 0.758 0.827 0.960 0.600 CB 1.224 26 residues pruned to eliminate duplicates Z: 25 22.673 1.967 0.729 0.850 0.917 0.750 CB 1.100 25 residues pruned to eliminate duplicates Z: 23 25.778 1.958 0.845 0.763 0.909 0.682 CB 1.324 23 residues pruned to eliminate duplicates Z: 26 24.036 1.982 0.779 0.848 0.960 0.720 CB 1.053 26 residues pruned to eliminate duplicates Z: 23 23.900 2.000 0.861 0.869 0.909 0.455 CB 1.100 23 residues pruned to eliminate duplicates Z: 19 23.853 2.117 0.810 0.782 0.889 0.611 CB 1.288 19 residues pruned to eliminate duplicates Z: 26 29.399 1.990 0.926 0.856 0.960 0.840 CB 1.178 26 residues pruned to eliminate duplicates Z: 20 26.193 2.032 0.956 0.795 0.947 0.368 CB 1.232 20 residues pruned to eliminate duplicates Z: 19 23.892 2.058 0.856 0.783 0.889 0.333 CB 1.292 19 residues pruned to eliminate duplicates Z: 24 18.969 1.918 0.722 0.670 0.870 0.565 CB 1.176 24 residues pruned to eliminate duplicates Z: 21 23.637 2.041 0.872 0.735 0.900 0.450 CB 1.245 21 residues pruned to eliminate duplicates Z: 17 23.169 2.085 1.102 0.860 0.938 0.438 CB 1.036 17 residues pruned to eliminate duplicates Z: 18 28.017 2.096 1.197 0.822 0.941 0.647 CB 1.186 18 residues pruned to eliminate duplicates Z: 17 24.203 2.091 1.209 0.868 0.938 0.562 CB 1.022 17 residues pruned to eliminate duplicates Z: 19 20.272 2.099 1.063 0.760 0.944 0.556 CB 0.927 19 residues pruned to eliminate duplicates Z: 9 8.486 1.942 1.312 0.680 0.750 0.625 CB 0.755 9 residues pruned to eliminate duplicates Z: 42 34.262 1.999 0.737 0.829 0.927 0.610 CB 1.251 42 residues pruned to eliminate duplicates Z: 20 20.182 1.975 0.491 0.738 0.895 0.632 CB 1.419 20 residues pruned to eliminate duplicates Z: 14 20.051 2.036 0.683 0.746 1.000 0.385 CB 1.303 14 residues pruned to eliminate duplicates Z: 18 15.460 1.895 0.666 0.691 0.824 0.353 CB 1.211 18 residues pruned to eliminate duplicates Z: 42 33.514 2.014 0.794 0.809 0.902 0.537 CB 1.226 42 residues pruned to eliminate duplicates Z: 14 18.666 2.034 0.779 0.739 1.000 0.538 CB 1.155 14 residues pruned to eliminate duplicates Z: 32 33.623 2.069 0.898 0.812 0.935 0.613 CB 1.252 32 residues pruned to eliminate duplicates Z: 21 17.008 1.814 0.693 0.631 0.850 0.350 CB 1.288 21 residues pruned to eliminate duplicates Z: 15 13.348 1.865 0.583 0.638 0.929 0.286 CB 1.144 15 residues pruned to eliminate duplicates Z: 17 24.810 1.970 0.971 0.874 0.938 0.562 CB 1.240 17 residues pruned to eliminate duplicates Z: 18 26.559 1.959 1.016 0.843 1.000 0.412 CB 1.214 18 residues pruned to eliminate duplicates Z: 19 23.611 1.842 0.929 0.863 0.889 0.333 N 1.293 19 residues pruned to eliminate duplicates Z: 43 33.044 1.986 0.758 0.796 0.929 0.571 CB 1.213 43 residues pruned to eliminate duplicates Z: 18 23.386 2.034 0.890 0.792 0.824 0.529 CB 1.387 18 residues pruned to eliminate duplicates Z: 39 28.751 1.938 0.839 0.768 0.816 0.605 CB 1.265 39 residues pruned to eliminate duplicates Z: 9 5.079 1.779 0.517 0.553 0.500 0.250 N 1.264 9 residues pruned to eliminate duplicates Z: 35 29.489 2.028 0.994 0.784 0.853 0.382 CB 1.142 35 residues pruned to eliminate duplicates Z: 10 5.553 1.632 0.395 0.408 0.667 0.333 CB 1.342 10 residues pruned to eliminate duplicates Z: 21 20.213 1.913 0.697 0.733 0.900 0.450 CB 1.254 21 residues pruned to eliminate duplicates Z: 6 2.239 1.460 0.084 0.295 0.800 0.400 O 0.995 Z: 21 11.991 1.834 0.222 0.855 1.000 0.850 CB 0.883 21 residues pruned to eliminate duplicates Z: 9 2.457 1.524 0.409 0.358 1.000 0.250 CB 0.471 Z: 16 10.747 1.948 0.144 0.684 0.933 0.667 CB 1.127 25 residues pruned to eliminate duplicates Z: 17 10.385 1.878 0.449 0.598 0.875 0.750 CB 0.993 17 residues pruned to eliminate duplicates Z: 14 9.901 1.958 0.184 0.665 0.923 0.769 CB 1.102 14 residues pruned to eliminate duplicates Z: 17 13.486 1.841 0.552 0.670 0.938 0.875 CB 1.075 17 residues pruned to eliminate duplicates Z: 16 13.581 1.905 0.541 0.777 0.867 0.800 CB 1.079 16 residues pruned to eliminate duplicates Z: 21 12.845 1.875 0.325 0.603 0.950 0.700 CB 1.103 21 residues pruned to eliminate duplicates Z: 17 19.751 1.975 0.543 0.920 1.000 0.812 CB 1.141 15 residues pruned to eliminate duplicates Z: 18 17.470 1.918 0.682 0.826 0.941 0.824 CB 1.052 18 residues pruned to eliminate duplicates Z: 18 15.506 2.019 0.558 0.835 0.882 0.765 CB 1.015 18 residues pruned to eliminate duplicates Z: 17 18.331 1.968 0.533 0.803 1.000 0.812 CB 1.166 17 residues pruned to eliminate duplicates Z: 16 19.564 1.930 0.772 0.802 1.000 0.933 CB 1.135 16 residues pruned to eliminate duplicates Z: 20 14.819 1.919 0.392 0.741 0.895 0.737 CB 1.146 20 residues pruned to eliminate duplicates Z: 37 33.228 1.903 0.699 0.822 1.000 0.750 CB 1.296 37 residues pruned to eliminate duplicates Z: 35 28.925 1.891 0.740 0.746 0.971 0.618 CB 1.246 35 residues pruned to eliminate duplicates Z: 22 24.353 1.846 0.847 0.707 0.952 0.476 CB 1.357 22 residues pruned to eliminate duplicates Z: 37 31.186 1.951 0.929 0.793 0.944 0.694 CB 1.131 37 residues pruned to eliminate duplicates Z: 12 11.900 1.983 0.573 0.677 0.818 0.273 CB 1.195 12 residues pruned to eliminate duplicates Z: 25 19.809 1.802 0.695 0.685 0.917 0.542 CB 1.218 25 residues pruned to eliminate duplicates Z: 38 29.463 1.914 0.777 0.789 0.973 0.730 CB 1.135 38 residues pruned to eliminate duplicates Z: 21 24.110 1.929 0.738 0.781 0.900 0.650 CB 1.395 21 residues pruned to eliminate duplicates Z: 37 27.229 1.918 0.659 0.803 0.972 0.750 CB 1.126 37 residues pruned to eliminate duplicates Z: 22 19.829 1.856 0.629 0.764 0.952 0.476 CB 1.189 22 residues pruned to eliminate duplicates Z: 22 22.769 1.882 0.673 0.751 0.952 0.714 CB 1.325 22 residues pruned to eliminate duplicates Z: 22 19.837 1.893 0.578 0.723 0.905 0.619 CB 1.310 22 residues pruned to eliminate duplicates Z: 18 19.641 1.940 0.601 0.772 0.882 0.647 CB 1.366 18 residues pruned to eliminate duplicates Z: 22 21.619 1.833 0.601 0.758 0.952 0.619 CB 1.341 22 residues pruned to eliminate duplicates Z: 21 21.131 1.887 0.650 0.749 0.950 0.600 CB 1.279 21 residues pruned to eliminate duplicates Z: 21 23.243 1.907 0.675 0.779 0.950 0.600 CB 1.339 21 residues pruned to eliminate duplicates Z: 18 20.836 1.891 0.434 0.808 1.000 0.882 CB 1.425 18 residues pruned to eliminate duplicates Z: 21 23.078 1.924 0.650 0.777 0.950 0.700 CB 1.340 21 residues pruned to eliminate duplicates Z: 38 27.384 1.885 0.776 0.753 0.919 0.676 CB 1.168 38 residues pruned to eliminate duplicates Z: 22 19.882 1.903 0.679 0.693 0.952 0.667 CB 1.195 22 residues pruned to eliminate duplicates Z: 33 24.474 1.898 0.839 0.740 0.875 0.688 CB 1.142 33 residues pruned to eliminate duplicates Z: 22 24.646 1.884 0.738 0.733 0.952 0.524 CB 1.400 22 residues pruned to eliminate duplicates Z: 7 5.613 1.396 0.704 0.602 0.833 0.500 CB 1.049 6 residues pruned to eliminate duplicates Z: 8 10.644 1.662 0.911 0.854 1.000 0.857 CB 0.935 8 residues pruned to eliminate duplicates Z: 7 11.137 1.700 1.244 0.871 1.000 1.000 CB 0.869 7 residues pruned to eliminate duplicates Z: 7 6.139 1.698 0.858 0.722 0.833 0.667 CB 0.780 7 residues pruned to eliminate duplicates Z: 14 12.130 1.832 0.644 0.853 0.923 0.923 CB 0.895 14 residues pruned to eliminate duplicates Z: 6 10.381 1.726 1.146 0.861 1.000 1.000 CB 0.921 6 residues pruned to eliminate duplicates Z: 13 10.110 1.812 0.689 0.694 0.917 0.583 CB 0.872 13 residues pruned to eliminate duplicates Z: 10 10.150 1.822 0.684 0.873 0.889 0.889 CB 0.903 10 residues pruned to eliminate duplicates Z: 19 11.759 1.766 0.698 0.722 0.889 0.833 CB 0.851 19 residues pruned to eliminate duplicates Z: 27 16.913 1.690 0.824 0.719 0.923 0.808 CB 0.957 31 residues pruned to eliminate duplicates Z: 19 17.455 1.795 0.952 0.777 1.000 0.778 CB 0.919 19 residues pruned to eliminate duplicates Z: 21 15.052 1.696 1.033 0.737 0.850 0.800 CB 0.928 21 residues pruned to eliminate duplicates Z: 10 10.269 1.812 0.597 0.820 0.889 0.556 CB 1.008 10 residues pruned to eliminate duplicates Z: 16 13.033 1.692 0.992 0.550 0.800 0.533 CB 1.189 16 residues pruned to eliminate duplicates Z: 10 13.070 1.871 0.943 0.855 0.889 0.556 CB 0.995 10 residues pruned to eliminate duplicates Z: 13 12.516 1.852 0.816 0.720 0.917 0.667 CB 0.960 13 residues pruned to eliminate duplicates Z: 13 9.527 1.712 0.717 0.629 0.833 0.667 CB 0.995 13 residues pruned to eliminate duplicates Z: 34 20.786 1.706 0.899 0.738 0.939 0.636 CB 0.961 32 residues pruned to eliminate duplicates Z: 23 15.916 1.659 0.637 0.655 0.909 0.545 CB 1.189 23 residues pruned to eliminate duplicates Z: 16 14.758 1.676 0.704 0.844 0.800 0.600 CB 1.240 16 residues pruned to eliminate duplicates Z: 29 19.239 1.730 0.682 0.722 0.893 0.571 CB 1.145 29 residues pruned to eliminate duplicates Z: 13 17.042 1.765 0.669 0.787 1.000 0.583 CB 1.298 13 residues pruned to eliminate duplicates Z: 10 11.571 1.676 0.739 0.736 1.000 0.556 CB 1.070 10 residues pruned to eliminate duplicates Z: 12 15.536 1.656 0.727 0.724 1.000 0.545 CB 1.338 12 residues pruned to eliminate duplicates Z: 17 11.878 1.566 0.593 0.644 0.875 0.312 CB 1.189 17 residues pruned to eliminate duplicates Z: 13 15.151 1.760 0.813 0.754 0.917 0.167 CB 1.193 13 residues pruned to eliminate duplicates Z: 16 13.845 1.566 0.783 0.664 0.933 0.400 CB 1.178 16 residues pruned to eliminate duplicates Z: 11 15.264 1.767 0.824 0.695 0.900 0.600 CB 1.392 11 residues pruned to eliminate duplicates Z: 15 19.585 1.716 0.915 0.779 1.000 0.786 CB 1.245 16 residues pruned to eliminate duplicates Z: 20 18.232 1.528 0.840 0.852 0.947 0.526 N 1.162 19 residues pruned to eliminate duplicates Z: 29 21.347 1.709 0.854 0.704 0.857 0.536 CB 1.234 29 residues pruned to eliminate duplicates Z: 18 23.723 1.637 1.046 0.878 0.941 0.706 CB 1.324 17 residues pruned to eliminate duplicates Z: 19 25.803 1.652 0.935 0.874 1.000 0.667 CB 1.385 19 residues pruned to eliminate duplicates Z: 15 10.709 1.577 0.709 0.612 0.857 0.643 CB 1.115 15 residues pruned to eliminate duplicates 841 residues left after pruning, divided into chains as follows: A: 42 B: 101 C: 41 D: 41 E: 41 F: 57 G: 56 H: 15 I: 122 J: 40 K: 43 L: 63 M: 42 N: 100 O: 37 CC for partial structure against native data = 43.83 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.655, Connect. = 0.726 for dens.mod. cycle 1 = 0.300, Contrast = 0.738, Connect. = 0.752 for dens.mod. cycle 2 = 0.300, Contrast = 0.871, Connect. = 0.773 for dens.mod. cycle 3 = 0.300, Contrast = 0.884, Connect. = 0.773 for dens.mod. cycle 4 = 0.300, Contrast = 0.891, Connect. = 0.772 for dens.mod. cycle 5 = 0.300, Contrast = 0.891, Connect. = 0.773 for dens.mod. cycle 6 = 0.300, Contrast = 0.890, Connect. = 0.773 for dens.mod. cycle 7 = 0.300, Contrast = 0.888, Connect. = 0.773 for dens.mod. cycle 8 = 0.300, Contrast = 0.885, Connect. = 0.774 for dens.mod. cycle 9 = 0.300, Contrast = 0.882, Connect. = 0.774 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2911 peaks > 0.5 sigma used to seed fragment search Space for about 1576 unique residues taking solvent into account 684 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 20.377 1.985 0.609 0.842 0.867 0.800 CB 1.416 B: 20 18.227 1.956 0.399 0.912 0.947 0.895 CB 1.142 C: 20 21.224 1.997 0.370 0.918 0.947 0.789 CB 1.325 20 residues pruned to eliminate duplicates D: 17 20.616 1.943 0.842 0.922 1.000 0.938 CB 1.013 E: 11 13.620 2.108 0.760 0.794 0.900 0.700 CB 0.997 F: 12 19.945 2.087 0.739 0.859 1.000 0.818 CB 1.219 11 residues pruned to eliminate duplicates G: 21 23.217 2.006 0.609 0.929 0.950 0.700 CB 1.185 H: 17 21.335 1.949 0.578 0.887 1.000 0.750 CB 1.251 I: 12 17.502 1.962 1.071 0.894 0.818 0.636 CB 1.139 J: 16 15.757 1.877 0.711 0.873 0.867 0.800 CB 1.065 16 residues pruned to eliminate duplicates K: 15 14.779 2.004 0.078 0.880 0.929 0.857 CB 1.428 L: 18 24.303 1.919 0.710 0.904 1.000 0.941 CB 1.280 M: 12 17.002 2.071 0.627 0.827 1.000 0.818 CB 1.147 12 residues pruned to eliminate duplicates N: 8 12.314 1.919 0.432 0.858 0.857 0.714 CB 1.455 O: 18 22.343 1.978 0.448 0.886 0.941 0.941 CB 1.450 15 residues pruned to eliminate duplicates P: 23 26.752 2.021 0.548 0.898 1.000 0.864 CB 1.304 Q: 19 19.974 1.922 0.771 0.824 1.000 0.611 CB 1.045 R: 12 15.772 2.043 0.773 0.915 1.000 0.909 CB 0.928 12 residues pruned to eliminate duplicates S: 23 25.620 2.014 0.461 0.920 1.000 0.818 CB 1.308 21 residues pruned to eliminate duplicates T: 18 18.523 1.889 0.837 0.902 0.941 0.882 CB 0.981 16 residues pruned to eliminate duplicates U: 13 27.368 2.146 0.664 0.912 0.917 0.917 CB 1.709 V: 18 22.690 1.979 1.103 0.934 0.941 0.529 CB 0.980 12 residues pruned to eliminate duplicates W: 25 28.323 1.911 0.813 0.909 0.958 0.750 CB 1.236 23 residues pruned to eliminate duplicates X: 19 25.595 1.993 0.552 0.916 1.000 0.778 CB 1.377 Y: 19 27.823 2.011 0.636 0.937 1.000 0.944 CB 1.388 19 residues pruned to eliminate duplicates Z: 22 26.706 1.968 0.629 0.854 1.000 0.714 CB 1.343 20 residues pruned to eliminate duplicates Z: 17 18.036 2.025 0.156 0.927 1.000 0.875 CB 1.350 17 residues pruned to eliminate duplicates Z: 17 19.693 1.909 0.346 0.937 1.000 1.000 CB 1.333 Z: 19 21.692 1.958 0.538 0.909 1.000 0.889 CB 1.205 19 residues pruned to eliminate duplicates Z: 21 22.723 1.937 0.688 0.887 0.950 0.800 CB 1.179 17 residues pruned to eliminate duplicates Z: 24 20.843 1.808 0.777 0.883 0.913 0.652 CB 1.072 Z: 9 15.174 1.703 1.163 0.852 1.000 0.875 N 1.078 9 residues pruned to eliminate duplicates Z: 22 27.222 1.918 0.907 0.854 0.952 0.762 CB 1.260 24 residues pruned to eliminate duplicates Z: 18 20.125 1.959 0.499 0.896 0.941 0.882 CB 1.265 18 residues pruned to eliminate duplicates Z: 23 25.855 1.961 0.986 0.909 1.000 0.455 CB 1.005 23 residues pruned to eliminate duplicates Z: 18 21.238 2.025 0.397 0.914 1.000 0.824 CB 1.287 18 residues pruned to eliminate duplicates Z: 18 25.927 1.937 0.733 0.913 1.000 1.000 CB 1.326 Z: 18 20.167 1.969 0.413 0.863 0.941 0.706 CB 1.371 18 residues pruned to eliminate duplicates Z: 18 19.932 1.966 0.832 0.937 1.000 0.941 CB 0.934 Z: 17 21.993 1.906 0.282 0.894 1.000 1.000 O 1.615 13 residues pruned to eliminate duplicates Z: 24 27.520 1.864 0.868 0.912 0.957 0.652 CB 1.220 23 residues pruned to eliminate duplicates Z: 22 23.118 1.922 0.507 0.930 1.000 0.857 CB 1.217 22 residues pruned to eliminate duplicates Z: 17 16.763 1.924 0.432 0.870 0.938 0.625 CB 1.184 17 residues pruned to eliminate duplicates Z: 20 20.316 1.895 0.560 0.756 0.895 0.632 CB 1.403 20 residues pruned to eliminate duplicates Z: 23 25.732 1.904 0.895 0.871 0.909 0.773 CB 1.220 22 residues pruned to eliminate duplicates Z: 17 15.816 1.787 0.579 0.801 0.875 0.625 CB 1.231 Z: 22 29.048 1.937 1.148 0.867 0.952 0.762 CB 1.170 Z: 18 21.968 1.925 0.496 0.904 1.000 0.941 CB 1.317 18 residues pruned to eliminate duplicates Z: 21 25.951 1.960 0.738 0.931 1.000 0.900 CB 1.191 21 residues pruned to eliminate duplicates Z: 6 6.336 1.858 0.341 0.567 1.000 0.800 CB 1.066 Z: 13 18.168 1.999 0.393 0.871 1.000 0.750 CB 1.374 Z: 17 23.434 1.931 0.491 0.924 1.000 0.812 CB 1.428 Z: 17 23.795 1.959 0.641 0.900 1.000 0.562 CB 1.322 16 residues pruned to eliminate duplicates Z: 23 25.422 1.865 0.768 0.846 0.909 0.727 CB 1.343 19 residues pruned to eliminate duplicates Z: 15 15.370 1.894 0.368 0.900 0.929 0.714 CB 1.219 15 residues pruned to eliminate duplicates Z: 19 19.869 1.955 0.386 0.898 1.000 0.889 CB 1.236 19 residues pruned to eliminate duplicates Z: 17 31.239 2.007 1.001 0.931 1.000 0.688 CB 1.359 18 residues pruned to eliminate duplicates Z: 17 22.770 1.954 0.617 0.904 1.000 0.750 CB 1.283 16 residues pruned to eliminate duplicates Z: 21 23.638 1.956 0.485 0.869 1.000 0.700 CB 1.329 21 residues pruned to eliminate duplicates Z: 21 18.442 1.806 0.458 0.890 0.950 0.850 CB 1.187 16 residues pruned to eliminate duplicates Z: 11 16.464 2.109 0.608 0.899 1.000 0.900 CB 1.098 11 residues pruned to eliminate duplicates Z: 24 27.738 1.924 0.876 0.919 0.957 0.739 CB 1.180 24 residues pruned to eliminate duplicates Z: 22 25.559 1.906 0.823 0.850 0.952 0.667 CB 1.248 22 residues pruned to eliminate duplicates Z: 16 18.905 1.944 0.643 0.904 0.933 0.867 CB 1.166 16 residues pruned to eliminate duplicates Z: 16 20.139 1.975 0.896 0.924 1.000 0.533 CB 0.975 16 residues pruned to eliminate duplicates Z: 19 22.359 1.933 0.600 0.892 1.000 0.889 CB 1.224 19 residues pruned to eliminate duplicates Z: 19 28.814 2.041 0.733 0.896 1.000 0.833 CB 1.375 17 residues pruned to eliminate duplicates Z: 11 21.410 2.063 0.671 0.866 1.000 0.800 CB 1.437 11 residues pruned to eliminate duplicates Z: 12 11.865 1.932 0.249 0.679 0.909 0.636 CB 1.382 12 residues pruned to eliminate duplicates Z: 11 15.589 1.878 0.460 0.875 1.000 0.700 CB 1.308 Z: 23 22.573 1.933 0.568 0.909 1.000 0.727 CB 1.127 19 residues pruned to eliminate duplicates Z: 19 21.633 1.843 0.438 0.915 1.000 0.944 CB 1.360 19 residues pruned to eliminate duplicates Z: 16 17.679 1.987 0.405 0.664 0.933 0.667 CB 1.506 16 residues pruned to eliminate duplicates Z: 23 26.651 1.860 0.752 0.921 0.955 0.818 CB 1.285 23 residues pruned to eliminate duplicates Z: 20 15.660 1.883 0.629 0.853 0.947 0.789 CB 0.913 20 residues pruned to eliminate duplicates Z: 19 20.404 1.977 0.334 0.922 1.000 0.889 CB 1.283 19 residues pruned to eliminate duplicates Z: 19 28.650 1.887 0.812 0.914 1.000 0.889 CB 1.396 18 residues pruned to eliminate duplicates Z: 19 23.634 1.996 0.447 0.916 1.000 1.000 CB 1.362 19 residues pruned to eliminate duplicates Z: 23 26.641 1.957 0.863 0.903 0.955 0.500 CB 1.164 23 residues pruned to eliminate duplicates Z: 20 21.200 1.979 0.713 0.936 0.947 0.842 CB 1.054 20 residues pruned to eliminate duplicates Z: 15 21.185 1.942 0.679 0.850 0.929 0.929 CB 1.385 Z: 20 19.184 1.818 0.681 0.890 0.947 0.789 CB 1.093 Z: 19 18.243 1.897 0.764 0.843 0.889 0.778 CB 1.076 19 residues pruned to eliminate duplicates Z: 18 18.571 1.889 0.487 0.866 0.941 0.824 CB 1.247 18 residues pruned to eliminate duplicates Z: 19 21.874 1.859 0.515 0.840 1.000 0.667 CB 1.366 Z: 17 13.798 1.760 0.417 0.911 0.938 0.750 CB 1.046 Z: 18 19.735 1.919 0.456 0.914 0.941 0.882 CB 1.287 18 residues pruned to eliminate duplicates Z: 22 23.263 2.023 0.402 0.923 1.000 0.857 CB 1.258 22 residues pruned to eliminate duplicates Z: 9 17.265 2.072 0.699 0.719 1.000 0.875 CB 1.423 9 residues pruned to eliminate duplicates Z: 24 25.263 1.984 0.602 0.825 0.957 0.739 CB 1.308 24 residues pruned to eliminate duplicates Z: 18 25.066 1.987 0.570 0.909 1.000 0.941 CB 1.384 18 residues pruned to eliminate duplicates Z: 23 21.270 1.932 0.487 0.904 1.000 0.909 CB 1.125 23 residues pruned to eliminate duplicates Z: 18 15.347 1.761 0.694 0.868 0.882 0.765 CB 1.034 18 residues pruned to eliminate duplicates Z: 20 26.853 1.983 0.838 0.877 0.947 0.789 CB 1.295 20 residues pruned to eliminate duplicates Z: 20 18.579 1.893 0.361 0.905 1.000 0.947 CB 1.178 20 residues pruned to eliminate duplicates Z: 17 20.064 1.889 0.588 0.918 1.000 0.938 CB 1.179 19 residues pruned to eliminate duplicates Z: 19 28.611 1.987 0.689 0.912 1.000 0.833 CB 1.424 19 residues pruned to eliminate duplicates Z: 6 7.451 1.942 0.618 0.863 1.000 1.000 CB 0.778 Z: 17 28.018 1.951 0.553 0.932 1.000 1.000 CB 1.614 18 residues pruned to eliminate duplicates Z: 19 21.727 1.815 0.494 0.821 1.000 0.778 CB 1.429 13 residues pruned to eliminate duplicates Z: 18 10.872 1.715 0.674 0.922 0.882 0.882 CB 0.732 Z: 18 24.783 1.882 0.586 0.936 1.000 0.941 CB 1.403 Z: 18 21.684 1.962 0.926 0.890 0.941 0.765 CB 1.064 19 residues pruned to eliminate duplicates Z: 18 24.497 1.909 1.010 0.902 1.000 0.706 CB 1.105 18 residues pruned to eliminate duplicates Z: 16 25.114 1.853 0.769 0.879 0.933 0.733 CB 1.537 15 residues pruned to eliminate duplicates Z: 16 18.572 1.829 0.488 0.883 1.000 0.867 CB 1.274 16 residues pruned to eliminate duplicates Z: 16 17.590 1.872 0.680 0.879 0.867 0.467 CB 1.208 16 residues pruned to eliminate duplicates Z: 18 19.449 2.005 0.427 0.915 1.000 0.882 CB 1.166 18 residues pruned to eliminate duplicates Z: 18 13.575 1.863 0.598 0.750 0.882 0.765 CB 1.003 18 residues pruned to eliminate duplicates Z: 18 13.413 1.959 0.371 0.927 1.000 0.882 CB 0.849 18 residues pruned to eliminate duplicates Z: 20 19.917 1.908 0.520 0.908 0.895 0.842 CB 1.250 20 residues pruned to eliminate duplicates Z: 22 25.047 1.934 0.651 0.907 0.952 0.810 CB 1.277 22 residues pruned to eliminate duplicates Z: 16 19.569 1.967 0.448 0.904 0.933 0.733 CB 1.353 16 residues pruned to eliminate duplicates Z: 16 18.679 1.785 0.659 0.890 0.933 0.933 CB 1.255 8 residues pruned to eliminate duplicates Z: 6 8.435 1.867 0.756 0.783 0.800 0.800 CB 1.122 6 residues pruned to eliminate duplicates Z: 20 22.764 1.911 0.755 0.881 0.895 0.632 CB 1.260 20 residues pruned to eliminate duplicates Z: 22 21.086 1.802 0.687 0.883 0.952 0.857 CB 1.149 20 residues pruned to eliminate duplicates Z: 15 22.389 1.850 0.728 0.916 1.000 0.857 CB 1.323 15 residues pruned to eliminate duplicates Z: 11 15.470 1.837 0.544 0.911 1.000 0.900 CB 1.223 Z: 6 2.889 1.469 0.428 0.458 0.800 0.600 O 0.803 Z: 20 17.720 1.847 0.785 0.922 0.947 0.632 CB 0.915 Z: 11 7.520 1.993 0.784 0.909 0.900 0.900 CB 0.528 Z: 13 18.252 1.848 0.744 0.876 1.000 0.917 CB 1.189 13 residues pruned to eliminate duplicates Z: 17 20.287 1.907 0.464 0.917 1.000 0.812 CB 1.283 17 residues pruned to eliminate duplicates Z: 18 19.100 1.868 1.037 0.910 0.941 0.647 CB 0.917 18 residues pruned to eliminate duplicates Z: 11 9.007 1.919 0.945 0.930 1.000 0.900 CB 0.533 Z: 16 20.609 1.875 0.708 0.898 0.867 0.600 CB 1.372 Z: 19 21.876 1.923 0.384 0.878 0.944 0.889 CB 1.488 20 residues pruned to eliminate duplicates Z: 22 26.130 1.935 0.841 0.887 0.952 0.762 CB 1.212 22 residues pruned to eliminate duplicates Z: 23 23.235 1.954 0.700 0.876 0.864 0.773 CB 1.255 23 residues pruned to eliminate duplicates Z: 13 22.622 1.812 0.820 0.921 1.000 0.833 CB 1.393 13 residues pruned to eliminate duplicates Z: 20 17.668 2.000 0.511 0.788 0.947 0.737 CB 1.099 20 residues pruned to eliminate duplicates Z: 18 15.354 1.801 0.176 0.876 1.000 0.824 CB 1.278 17 residues pruned to eliminate duplicates Z: 18 17.677 1.861 0.785 0.855 0.941 0.706 CB 1.012 18 residues pruned to eliminate duplicates Z: 17 26.328 1.901 0.742 0.902 0.938 0.938 CB 1.512 17 residues pruned to eliminate duplicates Z: 8 3.409 1.615 0.443 0.338 0.714 0.429 CB 0.923 Z: 13 14.728 1.793 0.760 0.831 1.000 0.500 CB 1.012 13 residues pruned to eliminate duplicates Z: 19 20.256 1.786 0.403 0.940 0.944 0.944 CB 1.401 19 residues pruned to eliminate duplicates Z: 19 28.155 2.054 0.787 0.916 0.944 0.833 CB 1.351 19 residues pruned to eliminate duplicates Z: 15 14.417 1.866 0.255 0.868 1.000 0.786 CB 1.203 15 residues pruned to eliminate duplicates Z: 23 23.051 1.887 0.988 0.901 0.909 0.682 CB 1.028 23 residues pruned to eliminate duplicates Z: 12 7.594 1.853 0.362 0.385 0.727 0.545 CB 1.409 12 residues pruned to eliminate duplicates Z: 38 31.927 1.878 0.765 0.814 0.946 0.649 CB 1.274 39 residues pruned to eliminate duplicates Z: 16 15.719 1.611 0.598 0.861 0.933 0.800 CB 1.241 Z: 14 19.176 1.995 0.429 0.917 1.000 0.923 CB 1.316 14 residues pruned to eliminate duplicates Z: 22 22.185 1.969 0.695 0.910 0.952 0.429 CB 1.080 22 residues pruned to eliminate duplicates Z: 8 2.177 1.627 0.308 0.257 0.857 0.571 CB 0.596 Z: 17 23.251 2.020 0.775 0.833 0.938 0.750 CB 1.297 18 residues pruned to eliminate duplicates Z: 18 19.850 1.891 0.583 0.889 0.941 0.882 CB 1.230 18 residues pruned to eliminate duplicates Z: 20 25.667 1.971 0.761 0.893 0.947 0.789 CB 1.286 20 residues pruned to eliminate duplicates Z: 6 5.488 2.050 0.290 0.863 1.000 0.800 CB 0.681 Z: 21 18.382 1.769 0.524 0.779 0.850 0.700 O 1.402 21 residues pruned to eliminate duplicates Z: 18 27.005 1.990 0.564 0.857 1.000 0.824 CB 1.551 17 residues pruned to eliminate duplicates Z: 15 16.359 1.884 0.753 0.870 0.929 0.571 CB 1.041 15 residues pruned to eliminate duplicates Z: 16 23.039 1.979 0.560 0.879 1.000 0.733 CB 1.397 16 residues pruned to eliminate duplicates Z: 17 18.030 1.770 0.675 0.889 1.000 0.812 CB 1.094 18 residues pruned to eliminate duplicates Z: 25 26.709 2.129 0.588 0.758 0.958 0.875 CB 1.338 26 residues pruned to eliminate duplicates Z: 7 5.520 1.733 0.369 0.433 0.833 0.500 CB 1.221 Z: 20 24.029 1.860 0.731 0.760 0.947 0.684 CB 1.434 20 residues pruned to eliminate duplicates Z: 7 6.324 1.659 0.264 0.794 0.667 0.667 O 1.427 7 residues pruned to eliminate duplicates Z: 10 12.817 1.790 0.466 0.842 0.889 0.889 CB 1.365 Z: 17 11.693 1.811 0.238 0.752 0.938 0.812 CB 1.110 17 residues pruned to eliminate duplicates Z: 17 21.212 1.902 0.955 0.889 1.000 0.750 CB 1.027 17 residues pruned to eliminate duplicates Z: 17 13.811 1.875 0.051 0.918 1.000 0.938 CB 1.236 17 residues pruned to eliminate duplicates Z: 44 23.770 1.954 0.678 0.615 0.860 0.558 CB 1.152 36 residues pruned to eliminate duplicates 7 1.722 1.687 0.296 0.392 0.500 0.333 CB 0.720 ? Z: 23 16.450 1.754 0.353 0.850 0.955 0.773 CB 1.146 23 residues pruned to eliminate duplicates Z: 17 26.176 1.952 0.691 0.868 1.000 1.000 CB 1.449 18 residues pruned to eliminate duplicates Z: 23 20.387 1.876 0.538 0.847 0.955 0.864 CB 1.172 23 residues pruned to eliminate duplicates Z: 20 25.122 1.770 0.582 0.882 1.000 0.737 N 1.490 18 residues pruned to eliminate duplicates Z: 21 24.304 1.959 0.795 0.940 0.950 0.800 CB 1.130 21 residues pruned to eliminate duplicates Z: 16 13.542 1.950 0.376 0.926 0.933 0.933 CB 0.979 15 residues pruned to eliminate duplicates Z: 21 22.533 1.919 0.691 0.928 0.900 0.700 CB 1.207 21 residues pruned to eliminate duplicates Z: 17 17.814 1.942 0.535 0.852 0.875 0.688 CB 1.263 17 residues pruned to eliminate duplicates Z: 16 20.051 1.610 0.885 0.878 1.000 0.733 CB 1.238 14 residues pruned to eliminate duplicates Z: 8 6.964 1.635 0.778 0.831 0.857 0.714 CB 0.794 Z: 17 19.932 1.780 0.605 0.840 0.875 0.625 N 1.487 17 residues pruned to eliminate duplicates Z: 16 20.567 1.804 0.561 0.896 1.000 0.933 CB 1.351 15 residues pruned to eliminate duplicates Z: 12 16.496 1.856 0.745 0.852 1.000 0.727 CB 1.136 12 residues pruned to eliminate duplicates Z: 17 25.908 1.853 0.733 0.901 1.000 0.875 CB 1.440 17 residues pruned to eliminate duplicates Z: 17 27.729 1.989 0.787 0.875 0.938 0.875 CB 1.513 18 residues pruned to eliminate duplicates Z: 19 20.874 1.854 0.363 0.856 1.000 0.889 CB 1.436 19 residues pruned to eliminate duplicates Z: 7 6.530 2.109 0.114 0.827 1.000 0.667 CB 0.856 Z: 17 16.476 1.573 0.615 0.860 0.938 0.688 O 1.272 17 residues pruned to eliminate duplicates Z: 9 3.437 1.645 0.505 0.790 0.875 0.625 CB 0.435 Z: 25 22.647 1.860 0.712 0.907 0.958 0.417 CB 1.076 25 residues pruned to eliminate duplicates Z: 36 19.891 1.698 0.797 0.694 0.886 0.571 CB 1.042 30 residues pruned to eliminate duplicates Z: 14 11.859 1.656 0.513 0.885 0.769 0.615 CB 1.232 14 residues pruned to eliminate duplicates Z: 43 24.467 1.884 0.553 0.707 0.881 0.595 CB 1.214 40 residues pruned to eliminate duplicates Z: 14 14.710 1.837 0.458 0.872 1.000 0.692 CB 1.110 14 residues pruned to eliminate duplicates Z: 21 21.644 1.990 0.539 0.914 0.900 0.750 CB 1.242 21 residues pruned to eliminate duplicates Z: 22 24.262 1.906 0.638 0.924 1.000 0.857 CB 1.191 22 residues pruned to eliminate duplicates Z: 16 21.708 1.964 0.459 0.865 1.000 0.800 CB 1.433 16 residues pruned to eliminate duplicates Z: 19 14.248 1.753 0.596 0.896 0.944 0.778 CB 0.911 19 residues pruned to eliminate duplicates Z: 17 23.008 1.925 0.944 0.925 1.000 0.812 CB 1.078 17 residues pruned to eliminate duplicates Z: 12 14.321 1.886 0.362 0.913 1.000 1.000 CB 1.189 12 residues pruned to eliminate duplicates Z: 21 19.839 1.799 0.871 0.883 0.850 0.550 CB 1.121 Z: 19 20.177 1.976 0.355 0.918 1.000 0.889 CB 1.252 19 residues pruned to eliminate duplicates Z: 12 24.207 1.875 0.820 0.904 1.000 1.000 CB 1.524 12 residues pruned to eliminate duplicates Z: 13 15.421 1.620 0.760 0.815 0.917 0.750 CB 1.296 13 residues pruned to eliminate duplicates Z: 7 2.044 1.755 0.224 0.791 1.000 0.667 CB 0.301 7 residues pruned to eliminate duplicates Z: 23 13.663 1.572 0.744 0.800 0.818 0.591 CB 0.999 22 residues pruned to eliminate duplicates Z: 12 12.701 1.718 0.619 0.814 1.000 0.636 CB 1.048 7 residues pruned to eliminate duplicates Z: 6 2.493 1.952 0.417 0.874 1.000 1.000 CB 0.293 6 residues pruned to eliminate duplicates Z: 15 17.159 1.846 0.591 0.789 0.857 0.857 CB 1.412 15 residues pruned to eliminate duplicates Z: 7 5.827 2.119 0.136 0.848 1.000 0.833 CB 0.733 7 residues pruned to eliminate duplicates Z: 15 13.630 1.970 0.149 0.895 0.929 0.857 CB 1.242 15 residues pruned to eliminate duplicates Z: 10 15.913 1.909 0.661 0.888 1.000 0.889 CB 1.205 16 residues pruned to eliminate duplicates Z: 19 17.486 1.888 0.254 0.868 1.000 0.889 CB 1.273 19 residues pruned to eliminate duplicates Z: 15 15.512 1.856 0.886 0.930 1.000 1.000 CB 0.828 Z: 22 29.988 2.033 0.860 0.923 1.000 0.714 CB 1.217 22 residues pruned to eliminate duplicates Z: 10 10.208 2.071 0.481 0.870 0.889 0.778 CB 0.911 10 residues pruned to eliminate duplicates Z: 19 20.010 1.890 0.331 0.858 1.000 0.833 CB 1.381 20 residues pruned to eliminate duplicates Z: 18 17.774 1.818 0.374 0.855 1.000 0.882 CB 1.273 18 residues pruned to eliminate duplicates Z: 20 23.412 1.969 0.800 0.924 0.947 0.842 CB 1.123 20 residues pruned to eliminate duplicates Z: 14 14.398 1.834 0.720 0.720 0.769 0.538 CB 1.348 14 residues pruned to eliminate duplicates Z: 20 18.146 1.970 0.485 0.914 0.947 0.789 CB 1.062 20 residues pruned to eliminate duplicates Z: 17 21.771 1.962 0.753 0.911 1.000 0.938 CB 1.121 17 residues pruned to eliminate duplicates Z: 23 11.635 1.751 0.282 0.640 0.818 0.636 CB 1.184 19 residues pruned to eliminate duplicates 6 1.742 1.570 0.077 0.305 0.600 0.400 O 0.954 ? Z: 15 13.303 1.785 0.877 0.928 1.000 0.786 CB 0.743 18 residues pruned to eliminate duplicates Z: 8 9.047 1.858 0.651 0.841 1.000 1.000 CB 0.831 8 residues pruned to eliminate duplicates Z: 19 17.275 1.797 0.346 0.866 1.000 0.944 CB 1.232 19 residues pruned to eliminate duplicates Z: 17 24.729 1.877 0.541 0.908 1.000 0.750 CB 1.518 17 residues pruned to eliminate duplicates Z: 14 18.960 1.848 0.792 0.907 0.846 0.769 CB 1.333 14 residues pruned to eliminate duplicates Z: 17 19.493 1.893 0.577 0.937 1.000 1.000 CB 1.136 17 residues pruned to eliminate duplicates Z: 6 2.286 1.536 0.292 0.391 0.600 0.400 CB 0.963 Z: 9 15.047 2.192 0.481 0.909 1.000 0.875 CB 1.164 9 residues pruned to eliminate duplicates Z: 10 2.386 1.569 0.817 0.163 0.556 0.333 CB 0.757 Z: 15 18.280 1.969 0.275 0.859 1.000 0.714 CB 1.431 15 residues pruned to eliminate duplicates Z: 23 29.443 1.891 0.680 0.929 1.000 0.955 CB 1.383 23 residues pruned to eliminate duplicates Z: 19 22.181 2.040 0.456 0.931 1.000 1.000 CB 1.230 19 residues pruned to eliminate duplicates Z: 17 21.445 1.924 0.757 0.810 0.812 0.625 CB 1.490 17 residues pruned to eliminate duplicates Z: 15 14.275 1.620 0.533 0.904 1.000 0.786 CB 1.094 Z: 17 17.115 1.895 0.370 0.871 0.938 0.875 CB 1.282 17 residues pruned to eliminate duplicates Z: 7 8.575 1.694 0.883 0.881 1.000 0.833 CB 0.795 Z: 17 22.372 1.961 0.706 0.860 0.938 0.750 CB 1.311 17 residues pruned to eliminate duplicates Z: 19 16.634 1.787 1.065 0.909 1.000 0.833 CB 0.754 19 residues pruned to eliminate duplicates Z: 23 26.567 1.900 0.911 0.896 0.909 0.636 CB 1.229 21 residues pruned to eliminate duplicates Z: 18 5.616 1.556 0.443 0.281 0.765 0.529 CB 1.016 18 residues pruned to eliminate duplicates Z: 13 12.665 1.665 0.366 0.817 0.917 0.583 CB 1.331 13 residues pruned to eliminate duplicates Z: 20 17.059 1.843 0.581 0.935 1.000 0.737 CB 0.937 20 residues pruned to eliminate duplicates Z: 22 26.140 1.930 0.633 0.900 1.000 0.857 CB 1.293 22 residues pruned to eliminate duplicates Z: 19 15.455 1.791 0.757 0.895 0.944 0.778 CB 0.879 Z: 13 16.133 1.818 0.560 0.886 0.917 0.917 O 1.292 12 residues pruned to eliminate duplicates Z: 18 23.578 1.964 0.850 0.917 1.000 0.882 CB 1.111 18 residues pruned to eliminate duplicates Z: 20 28.326 1.922 0.765 0.884 1.000 0.789 CB 1.384 19 residues pruned to eliminate duplicates Z: 19 23.038 1.878 0.642 0.848 0.944 0.889 CB 1.383 20 residues pruned to eliminate duplicates Z: 18 27.442 1.870 0.665 0.910 1.000 0.941 CB 1.515 18 residues pruned to eliminate duplicates Z: 18 19.814 1.943 0.973 0.900 0.941 0.765 CB 0.951 18 residues pruned to eliminate duplicates Z: 11 18.188 2.091 0.781 0.883 1.000 0.800 CB 1.117 11 residues pruned to eliminate duplicates Z: 19 11.209 1.743 0.508 0.565 0.889 0.444 CB 1.063 19 residues pruned to eliminate duplicates Z: 19 15.815 1.854 0.454 0.814 0.944 0.722 CB 1.114 19 residues pruned to eliminate duplicates Z: 16 22.091 1.868 0.862 0.747 0.867 0.600 N 1.518 16 residues pruned to eliminate duplicates Z: 24 21.244 1.891 0.508 0.831 0.870 0.826 CB 1.342 24 residues pruned to eliminate duplicates Z: 12 3.455 1.578 0.186 0.137 0.727 0.364 CB 1.201 Z: 6 5.058 1.751 0.394 0.868 1.000 0.800 CB 0.678 Z: 20 15.815 1.837 0.571 0.709 0.842 0.684 CB 1.235 20 residues pruned to eliminate duplicates Z: 12 12.664 1.820 0.370 0.876 0.909 0.818 CB 1.224 12 residues pruned to eliminate duplicates Z: 17 21.449 1.898 0.496 0.874 1.000 0.812 CB 1.375 17 residues pruned to eliminate duplicates Z: 15 18.926 1.851 1.252 0.851 0.929 0.500 CB 0.967 15 residues pruned to eliminate duplicates Z: 21 26.783 1.883 0.853 0.860 0.950 0.650 CB 1.329 20 residues pruned to eliminate duplicates Z: 10 10.558 1.957 0.785 0.921 1.000 0.889 CB 0.709 10 residues pruned to eliminate duplicates Z: 31 15.754 1.884 0.470 0.521 0.800 0.633 CB 1.271 27 residues pruned to eliminate duplicates Z: 78 30.333 1.931 0.524 0.620 0.831 0.649 CB 1.262 78 residues pruned to eliminate duplicates Z: 39 23.302 1.924 0.603 0.633 0.921 0.632 CB 1.174 39 residues pruned to eliminate duplicates Z: 17 26.778 1.946 0.778 0.879 0.938 0.812 CB 1.496 17 residues pruned to eliminate duplicates Z: 7 4.721 1.794 0.317 0.381 0.833 0.500 CB 1.110 Z: 20 23.776 1.750 0.680 0.892 0.947 0.842 O 1.406 20 residues pruned to eliminate duplicates Z: 14 24.599 1.882 1.122 0.878 1.000 0.769 CB 1.240 16 residues pruned to eliminate duplicates Z: 7 6.671 1.714 0.343 0.855 1.000 0.833 CB 0.873 6 residues pruned to eliminate duplicates Z: 8 8.547 1.552 0.566 0.821 1.000 0.857 CB 1.006 Z: 14 13.957 1.664 0.363 0.891 1.000 1.000 CB 1.227 8 residues pruned to eliminate duplicates Z: 12 13.491 1.856 0.399 0.875 1.000 0.727 CB 1.139 11 residues pruned to eliminate duplicates Z: 23 17.842 1.891 0.443 0.659 0.864 0.545 CB 1.392 23 residues pruned to eliminate duplicates Z: 16 19.319 1.922 0.345 0.922 1.000 0.933 CB 1.357 16 residues pruned to eliminate duplicates Z: 19 26.069 2.005 0.730 0.916 0.944 0.944 CB 1.325 19 residues pruned to eliminate duplicates Z: 6 7.910 1.901 0.714 0.553 1.000 0.800 CB 1.031 6 residues pruned to eliminate duplicates Z: 14 13.143 1.627 0.457 0.882 0.923 0.769 CB 1.205 13 residues pruned to eliminate duplicates Z: 16 18.182 1.603 0.738 0.828 1.000 0.733 O 1.269 16 residues pruned to eliminate duplicates Z: 14 14.596 1.696 0.804 0.826 0.923 0.692 CB 1.081 6 1.054 1.760 0.495 0.882 1.000 1.000 CB 0.130 ? Z: 21 24.683 1.919 0.449 0.929 1.000 0.900 CB 1.389 21 residues pruned to eliminate duplicates Z: 6 2.972 1.526 0.499 0.290 0.600 0.600 C 1.225 Z: 20 18.180 1.925 0.445 0.863 0.895 0.842 CB 1.230 20 residues pruned to eliminate duplicates Z: 19 29.039 1.968 0.970 0.908 0.944 0.611 CB 1.328 23 residues pruned to eliminate duplicates Z: 16 14.898 1.645 1.077 0.831 0.933 0.733 CB 0.906 21 residues pruned to eliminate duplicates Z: 15 16.085 1.800 0.353 0.842 1.000 0.786 CB 1.315 15 residues pruned to eliminate duplicates Z: 17 19.990 1.941 0.634 0.864 1.000 0.688 CB 1.156 17 residues pruned to eliminate duplicates Z: 15 13.482 1.711 0.849 0.897 0.929 0.786 CB 0.878 15 residues pruned to eliminate duplicates Z: 10 12.401 1.906 0.323 0.926 1.000 1.000 CB 1.150 9 residues pruned to eliminate duplicates Z: 17 23.589 1.929 0.945 0.922 1.000 0.938 CB 1.105 17 residues pruned to eliminate duplicates Z: 19 25.691 1.954 0.791 0.901 1.000 0.722 CB 1.235 19 residues pruned to eliminate duplicates Z: 12 10.359 1.474 0.258 0.926 1.000 0.909 O 1.181 12 residues pruned to eliminate duplicates Z: 17 16.041 1.836 0.480 0.819 0.938 0.625 CB 1.194 17 residues pruned to eliminate duplicates Z: 13 17.855 1.924 0.553 0.884 0.917 0.833 CB 1.360 13 residues pruned to eliminate duplicates Z: 15 12.437 1.664 0.615 0.811 0.857 0.714 CB 1.101 13 residues pruned to eliminate duplicates Z: 15 15.330 1.859 0.492 0.900 1.000 0.929 CB 1.055 16 residues pruned to eliminate duplicates Z: 19 22.000 1.893 0.932 0.841 0.944 0.667 CB 1.119 19 residues pruned to eliminate duplicates Z: 12 7.865 1.624 0.157 0.693 0.909 0.545 CB 1.164 12 residues pruned to eliminate duplicates Z: 20 27.394 1.909 0.879 0.908 0.947 0.789 CB 1.314 20 residues pruned to eliminate duplicates Z: 17 19.237 1.899 0.762 0.921 0.938 0.562 CB 1.079 17 residues pruned to eliminate duplicates Z: 8 5.449 1.612 0.126 0.770 1.000 0.857 CB 0.894 7 residues pruned to eliminate duplicates Z: 19 16.089 1.882 0.346 0.789 0.944 0.778 CB 1.229 19 residues pruned to eliminate duplicates Z: 15 18.148 1.752 0.644 0.834 1.000 0.714 CB 1.262 13 residues pruned to eliminate duplicates Z: 13 11.275 1.732 0.326 0.798 0.917 0.833 CB 1.191 13 residues pruned to eliminate duplicates Z: 14 14.363 1.782 0.479 0.881 0.923 0.846 CB 1.187 11 residues pruned to eliminate duplicates Z: 17 16.835 1.818 0.434 0.873 0.812 0.438 N 1.447 17 residues pruned to eliminate duplicates Z: 23 27.523 1.932 0.612 0.911 1.000 0.864 CB 1.335 23 residues pruned to eliminate duplicates Z: 19 15.100 1.835 0.181 0.818 0.944 0.778 CB 1.319 19 residues pruned to eliminate duplicates Z: 12 11.626 1.812 0.805 0.880 0.909 0.818 CB 0.854 12 residues pruned to eliminate duplicates Z: 16 8.521 1.760 0.943 0.839 0.933 0.667 CB 0.515 10 residues pruned to eliminate duplicates Z: 18 25.588 1.859 0.530 0.894 1.000 1.000 CB 1.565 18 residues pruned to eliminate duplicates Z: 17 24.391 1.999 0.781 0.900 1.000 0.625 CB 1.224 17 residues pruned to eliminate duplicates Z: 20 22.601 1.890 1.031 0.935 0.947 0.737 CB 0.994 20 residues pruned to eliminate duplicates Z: 21 17.013 1.836 0.611 0.907 1.000 0.900 CB 0.914 17 residues pruned to eliminate duplicates Z: 23 23.362 1.848 0.715 0.837 0.909 0.682 CB 1.293 23 residues pruned to eliminate duplicates Z: 20 19.438 1.802 0.848 0.908 1.000 0.842 CB 0.951 18 residues pruned to eliminate duplicates Z: 6 7.115 1.683 0.982 0.894 1.000 0.800 CB 0.684 6 residues pruned to eliminate duplicates Z: 17 11.500 1.691 0.772 0.897 0.875 0.812 CB 0.785 17 residues pruned to eliminate duplicates Z: 6 2.427 1.421 0.538 0.437 0.600 0.400 N 0.883 Z: 21 21.948 1.852 0.836 0.906 1.000 0.750 CB 1.026 21 residues pruned to eliminate duplicates Z: 19 24.647 2.001 0.652 0.895 0.944 0.889 CB 1.334 19 residues pruned to eliminate duplicates Z: 20 16.618 1.756 0.545 0.884 1.000 0.895 CB 1.015 20 residues pruned to eliminate duplicates Z: 15 11.355 1.691 0.275 0.830 1.000 0.714 CB 1.058 Z: 10 15.856 1.932 0.734 0.859 1.000 0.778 CB 1.161 10 residues pruned to eliminate duplicates Z: 6 2.789 1.434 0.426 0.641 0.600 0.600 CB 0.891 Z: 19 17.419 1.856 0.335 0.787 1.000 0.611 CB 1.287 22 residues pruned to eliminate duplicates Z: 17 19.111 1.787 0.672 0.895 0.875 0.562 CB 1.310 17 residues pruned to eliminate duplicates 6 1.432 1.395 0.150 0.378 0.600 0.400 CB 0.758 ? Z: 16 17.634 1.915 0.455 0.882 0.933 0.933 CB 1.267 16 residues pruned to eliminate duplicates Z: 22 20.509 1.744 0.979 0.755 0.762 0.333 CB 1.356 22 residues pruned to eliminate duplicates Z: 20 26.700 1.995 0.735 0.893 0.947 0.737 CB 1.341 20 residues pruned to eliminate duplicates Z: 15 9.957 1.672 0.860 0.784 0.786 0.500 CB 0.848 12 residues pruned to eliminate duplicates Z: 20 27.099 1.953 1.043 0.933 0.947 0.579 CB 1.147 20 residues pruned to eliminate duplicates Z: 33 11.161 1.679 0.643 0.404 0.812 0.438 CB 0.974 29 residues pruned to eliminate duplicates Z: 19 15.877 1.893 0.152 0.817 0.944 0.722 CB 1.380 20 residues pruned to eliminate duplicates Z: 14 13.451 1.799 0.303 0.827 1.000 0.923 CB 1.199 14 residues pruned to eliminate duplicates Z: 20 16.869 1.960 0.717 0.880 1.000 0.684 CB 0.833 11 residues pruned to eliminate duplicates Z: 13 17.484 1.951 0.263 0.925 1.000 1.000 CB 1.438 14 residues pruned to eliminate duplicates Z: 20 20.198 1.971 0.422 0.890 0.895 0.842 CB 1.330 20 residues pruned to eliminate duplicates Z: 8 3.473 1.686 0.740 0.110 0.714 0.286 CB 1.027 Z: 19 24.339 1.982 0.491 0.920 1.000 0.944 CB 1.367 19 residues pruned to eliminate duplicates Z: 10 13.758 1.769 0.799 0.758 0.889 0.556 CB 1.289 10 residues pruned to eliminate duplicates Z: 22 21.880 1.861 0.720 0.857 0.952 0.905 CB 1.154 22 residues pruned to eliminate duplicates Z: 18 19.552 2.001 0.605 0.863 0.941 0.647 CB 1.150 18 residues pruned to eliminate duplicates Z: 7 3.974 1.720 0.191 0.347 0.833 0.833 CB 1.121 Z: 19 21.106 1.824 0.638 0.863 0.944 0.722 CB 1.294 19 residues pruned to eliminate duplicates Z: 11 9.240 1.934 0.155 0.521 1.000 0.700 CB 1.281 11 residues pruned to eliminate duplicates Z: 18 15.741 1.774 0.952 0.915 0.941 0.647 CB 0.828 18 residues pruned to eliminate duplicates Z: 14 13.320 1.698 0.523 0.900 1.000 0.462 CB 1.021 15 residues pruned to eliminate duplicates Z: 19 20.358 1.830 0.600 0.879 0.944 0.778 CB 1.258 18 residues pruned to eliminate duplicates Z: 17 19.281 1.932 0.385 0.884 1.000 0.625 CB 1.301 17 residues pruned to eliminate duplicates Z: 6 10.588 2.124 0.583 0.879 1.000 0.600 CB 1.021 7 residues pruned to eliminate duplicates Z: 14 13.862 1.586 0.598 0.802 0.923 0.692 O 1.263 14 residues pruned to eliminate duplicates Z: 23 12.663 1.838 0.555 0.607 0.909 0.591 CB 0.939 23 residues pruned to eliminate duplicates Z: 10 9.813 1.777 0.341 0.818 0.889 0.667 CB 1.171 10 residues pruned to eliminate duplicates Z: 18 23.022 2.033 0.619 0.818 1.000 0.824 CB 1.287 18 residues pruned to eliminate duplicates Z: 20 22.949 1.831 0.781 0.897 1.000 0.632 CB 1.156 20 residues pruned to eliminate duplicates Z: 18 27.421 1.909 0.813 0.901 1.000 0.588 CB 1.372 18 residues pruned to eliminate duplicates Z: 17 17.948 1.916 0.676 0.866 0.938 0.812 CB 1.091 17 residues pruned to eliminate duplicates Z: 20 18.542 1.822 0.410 0.868 0.947 0.895 CB 1.278 20 residues pruned to eliminate duplicates Z: 14 22.914 1.971 0.820 0.776 0.923 0.462 CB 1.505 14 residues pruned to eliminate duplicates Z: 6 3.632 1.365 0.588 0.488 1.000 0.800 CB 0.759 Z: 20 13.549 1.755 0.461 0.730 0.895 0.789 CB 1.102 19 residues pruned to eliminate duplicates Z: 41 37.756 1.978 0.738 0.868 0.950 0.775 CB 1.336 44 residues pruned to eliminate duplicates Z: 21 28.100 1.992 0.852 0.879 0.950 0.750 CB 1.299 21 residues pruned to eliminate duplicates Z: 21 26.777 1.956 0.546 0.949 1.000 0.900 CB 1.366 21 residues pruned to eliminate duplicates Z: 36 29.283 1.892 0.684 0.821 0.971 0.571 CB 1.211 39 residues pruned to eliminate duplicates Z: 10 6.985 1.686 0.934 0.739 0.889 0.556 CB 0.648 13 residues pruned to eliminate duplicates Z: 6 7.869 1.915 1.002 0.884 1.000 1.000 CB 0.663 6 residues pruned to eliminate duplicates Z: 15 12.477 1.664 0.510 0.897 1.000 0.857 CB 0.950 15 residues pruned to eliminate duplicates Z: 15 19.553 1.769 0.792 0.929 0.929 0.929 CB 1.243 17 residues pruned to eliminate duplicates Z: 11 13.591 1.696 0.695 0.900 1.000 0.700 CB 1.068 11 residues pruned to eliminate duplicates Z: 15 18.382 1.927 0.742 0.907 0.857 0.786 CB 1.214 15 residues pruned to eliminate duplicates Z: 15 17.225 1.821 0.711 0.878 0.929 0.857 CB 1.155 15 residues pruned to eliminate duplicates Z: 17 14.900 1.632 0.667 0.852 0.938 0.500 CB 1.080 17 residues pruned to eliminate duplicates Z: 52 25.292 1.807 0.635 0.628 0.882 0.510 CB 1.204 49 residues pruned to eliminate duplicates Z: 11 4.731 1.607 0.244 0.672 0.800 0.200 CB 0.798 11 residues pruned to eliminate duplicates Z: 15 21.106 1.793 1.089 0.909 1.000 0.857 CB 1.069 14 residues pruned to eliminate duplicates Z: 9 5.274 1.694 0.179 0.473 0.875 0.250 CB 1.097 Z: 17 15.908 1.571 0.677 0.849 1.000 0.688 CB 1.119 17 residues pruned to eliminate duplicates Z: 23 10.667 1.709 0.702 0.688 0.864 0.545 CB 0.762 20 residues pruned to eliminate duplicates Z: 21 23.320 1.808 0.780 0.835 0.850 0.550 N 1.428 19 residues pruned to eliminate duplicates Z: 10 9.570 1.557 0.687 0.747 0.889 0.444 CB 1.096 7 residues pruned to eliminate duplicates Z: 12 10.110 1.745 0.468 0.608 0.909 0.455 CB 1.182 12 residues pruned to eliminate duplicates Z: 15 14.652 1.653 0.610 0.899 0.929 0.429 CB 1.132 15 residues pruned to eliminate duplicates Z: 10 7.119 1.655 0.495 0.599 0.778 0.444 CB 1.122 10 residues pruned to eliminate duplicates Z: 9 2.596 1.453 0.605 0.245 0.500 0.375 CB 1.056 Z: 20 17.773 1.967 0.281 0.895 1.000 0.842 CB 1.160 20 residues pruned to eliminate duplicates Z: 14 12.523 1.840 0.745 0.930 1.000 1.000 CB 0.757 14 residues pruned to eliminate duplicates Z: 17 15.527 1.806 0.693 0.905 1.000 0.688 CB 0.904 17 residues pruned to eliminate duplicates Z: 10 7.045 1.622 0.296 0.836 0.889 0.778 CB 0.941 10 residues pruned to eliminate duplicates Z: 22 22.814 2.010 0.452 0.910 1.000 0.762 CB 1.210 22 residues pruned to eliminate duplicates Z: 20 16.246 1.767 0.543 0.882 0.947 0.737 CB 1.044 20 residues pruned to eliminate duplicates Z: 10 7.505 1.694 0.854 0.634 0.889 0.667 CB 0.790 6 residues pruned to eliminate duplicates Z: 18 16.604 1.815 0.896 0.900 1.000 0.765 CB 0.836 18 residues pruned to eliminate duplicates Z: 20 15.856 1.752 0.639 0.831 0.895 0.368 CB 1.063 20 residues pruned to eliminate duplicates Z: 24 8.960 1.790 0.201 0.481 0.826 0.435 CB 1.072 24 residues pruned to eliminate duplicates Z: 15 16.333 1.921 0.983 0.914 1.000 0.714 CB 0.810 15 residues pruned to eliminate duplicates Z: 12 6.766 1.656 0.421 0.749 1.000 0.545 CB 0.694 17 residues pruned to eliminate duplicates Z: 9 3.498 1.427 0.171 0.434 0.750 0.500 CB 1.056 Z: 9 7.137 1.707 0.418 0.770 0.750 0.375 CB 1.094 9 residues pruned to eliminate duplicates Z: 11 8.974 1.711 0.198 0.855 1.000 0.700 CB 1.022 11 residues pruned to eliminate duplicates Z: 18 16.621 1.972 0.438 0.833 0.941 0.824 CB 1.133 18 residues pruned to eliminate duplicates Z: 22 22.143 1.881 0.678 0.842 0.952 0.810 CB 1.198 22 residues pruned to eliminate duplicates Z: 14 9.737 1.775 0.529 0.624 0.846 0.846 CB 1.046 14 residues pruned to eliminate duplicates Z: 13 10.676 1.753 0.401 0.867 0.917 0.917 CB 1.002 13 residues pruned to eliminate duplicates Z: 20 23.201 1.879 0.564 0.848 0.947 0.737 CB 1.418 20 residues pruned to eliminate duplicates Z: 6 2.391 1.426 0.494 0.345 0.800 0.600 N 0.743 Z: 7 3.602 1.500 0.075 0.503 0.833 0.667 CB 1.091 7 residues pruned to eliminate duplicates Z: 6 2.704 1.740 0.310 0.842 1.000 0.600 CB 0.395 Z: 7 5.834 2.074 0.160 0.839 1.000 1.000 CB 0.739 7 residues pruned to eliminate duplicates Z: 14 19.875 1.812 0.772 0.908 0.923 0.846 CB 1.321 13 residues pruned to eliminate duplicates Z: 17 13.665 1.947 0.651 0.850 0.938 0.875 CB 0.840 17 residues pruned to eliminate duplicates Z: 16 12.921 1.843 0.240 0.866 1.000 0.933 CB 1.068 16 residues pruned to eliminate duplicates Z: 17 18.905 1.904 0.351 0.926 1.000 0.938 CB 1.288 17 residues pruned to eliminate duplicates Z: 12 8.644 1.685 0.677 0.701 1.000 0.545 CB 0.768 12 residues pruned to eliminate duplicates Z: 7 5.638 1.669 0.193 0.519 1.000 0.500 CB 1.135 7 residues pruned to eliminate duplicates 6 1.853 1.852 0.942 0.865 1.000 1.000 CB 0.169 ? Z: 16 15.463 1.662 0.701 0.906 1.000 0.933 CB 1.004 15 residues pruned to eliminate duplicates Z: 6 6.815 1.769 0.547 0.832 1.000 0.800 CB 0.836 6 residues pruned to eliminate duplicates Z: 16 15.801 1.873 0.436 0.925 0.933 0.933 CB 1.141 16 residues pruned to eliminate duplicates Z: 14 5.509 1.595 0.356 0.455 0.692 0.615 CB 1.068 Z: 15 13.339 1.595 0.547 0.861 0.929 0.714 CB 1.144 15 residues pruned to eliminate duplicates Z: 7 4.327 1.595 -0.064 0.606 1.000 0.667 N 1.070 7 residues pruned to eliminate duplicates Z: 8 3.717 1.572 0.592 0.357 0.571 0.429 N 1.146 Z: 6 3.043 1.821 0.144 0.659 1.000 0.800 CB 0.563 6 residues pruned to eliminate duplicates Z: 19 18.733 1.944 0.520 0.870 1.000 0.778 CB 1.091 19 residues pruned to eliminate duplicates Z: 17 21.346 1.969 0.589 0.894 0.938 0.688 CB 1.305 17 residues pruned to eliminate duplicates Z: 13 12.857 1.802 0.311 0.838 0.917 0.583 CB 1.281 13 residues pruned to eliminate duplicates Z: 8 5.962 1.476 0.264 0.643 1.000 0.571 N 1.056 8 residues pruned to eliminate duplicates Z: 15 7.590 1.609 0.827 0.343 0.714 0.429 CB 1.146 15 residues pruned to eliminate duplicates Z: 15 15.370 1.956 0.649 0.913 1.000 0.929 CB 0.902 15 residues pruned to eliminate duplicates Z: 15 11.230 1.764 0.864 0.927 1.000 0.929 CB 0.640 15 residues pruned to eliminate duplicates Z: 19 25.207 2.122 1.002 0.811 0.944 0.667 CB 1.129 19 residues pruned to eliminate duplicates Z: 24 18.206 1.867 0.767 0.584 0.826 0.652 CB 1.284 24 residues pruned to eliminate duplicates Z: 7 4.193 1.615 0.173 0.352 0.833 0.667 C 1.272 8 0.002 1.517 1.160 0.704 0.857 0.429 CB 0.000 ? Z: 9 12.027 1.556 0.693 0.765 1.000 0.875 CB 1.276 9 residues pruned to eliminate duplicates Z: 9 2.160 1.433 0.543 0.391 0.625 0.500 N 0.620 Z: 18 17.986 1.964 0.704 0.935 1.000 0.941 CB 0.908 18 residues pruned to eliminate duplicates Z: 17 23.875 1.915 0.638 0.897 1.000 0.875 CB 1.362 17 residues pruned to eliminate duplicates Z: 21 15.345 1.669 0.562 0.866 1.000 0.750 CB 0.963 21 residues pruned to eliminate duplicates Z: 9 13.850 1.902 0.755 0.518 1.000 0.875 CA 1.440 9 residues pruned to eliminate duplicates Z: 8 6.501 1.722 0.332 0.547 1.000 0.429 CB 1.022 Z: 9 5.882 1.515 0.240 0.811 0.875 0.750 CB 0.965 9 residues pruned to eliminate duplicates 6 1.765 1.153 0.217 0.357 1.000 0.600 CB 0.656 ? Z: 8 4.681 1.780 0.513 0.870 1.000 0.857 CB 0.479 7 residues pruned to eliminate duplicates Z: 14 10.432 1.480 0.563 0.898 1.000 0.538 CB 0.895 14 residues pruned to eliminate duplicates Z: 15 13.679 1.711 0.757 0.837 1.000 0.714 CB 0.910 15 residues pruned to eliminate duplicates Z: 10 2.667 1.698 1.036 0.821 1.000 0.667 CB 0.195 Z: 8 3.473 1.715 0.391 0.360 0.571 0.286 N 1.120 8 residues pruned to eliminate duplicates Z: 6 2.584 1.137 0.547 0.390 1.000 0.400 N 0.738 Z: 11 6.969 1.566 0.466 0.597 0.900 0.700 N 0.972 11 residues pruned to eliminate duplicates 6 1.604 1.505 0.342 0.432 0.400 0.200 N 0.953 ? Z: 29 17.384 1.834 0.629 0.732 0.929 0.679 CB 0.961 29 residues pruned to eliminate duplicates Z: 15 13.093 1.585 0.513 0.835 0.929 0.643 CB 1.178 15 residues pruned to eliminate duplicates Z: 10 6.813 1.912 0.794 0.786 1.000 0.778 CB 0.515 Z: 25 21.287 1.815 0.598 0.750 0.917 0.625 CB 1.307 25 residues pruned to eliminate duplicates Z: 16 9.211 1.749 0.278 0.444 0.867 0.533 CB 1.301 16 residues pruned to eliminate duplicates Z: 17 20.874 1.980 0.517 0.921 0.938 0.875 CB 1.305 17 residues pruned to eliminate duplicates Z: 19 18.900 1.882 0.913 0.942 0.944 0.778 CB 0.909 19 residues pruned to eliminate duplicates Z: 14 10.177 1.846 0.813 0.691 0.923 0.769 CB 0.767 14 residues pruned to eliminate duplicates Z: 8 2.987 1.560 0.773 0.593 1.000 0.286 CB 0.374 Z: 6 3.284 1.289 0.392 0.441 0.800 0.400 N 1.087 Z: 23 22.601 1.894 0.574 0.862 0.909 0.682 CB 1.305 23 residues pruned to eliminate duplicates Z: 8 5.413 1.711 0.223 0.879 0.857 0.857 CB 0.827 8 residues pruned to eliminate duplicates Z: 14 13.629 1.664 0.444 0.905 1.000 0.769 CB 1.120 14 residues pruned to eliminate duplicates Z: 7 8.116 1.949 0.611 0.876 1.000 0.833 CB 0.767 6 residues pruned to eliminate duplicates Z: 20 27.668 1.860 0.701 0.937 1.000 0.842 CB 1.396 20 residues pruned to eliminate duplicates Z: 11 17.576 1.851 0.965 0.781 1.000 0.700 CB 1.193 11 residues pruned to eliminate duplicates Z: 7 2.026 1.623 0.734 0.496 0.667 0.500 CB 0.442 Z: 6 4.787 1.653 0.589 0.444 0.800 0.200 CB 1.080 6 residues pruned to eliminate duplicates Z: 11 10.554 1.693 0.257 0.693 1.000 0.900 CB 1.315 11 residues pruned to eliminate duplicates Z: 19 12.153 1.823 0.177 0.829 0.889 0.778 CB 1.130 19 residues pruned to eliminate duplicates Z: 20 18.317 1.823 0.722 0.895 0.947 0.842 CB 1.013 20 residues pruned to eliminate duplicates Z: 8 2.270 1.292 0.713 0.361 0.571 0.429 N 0.787 Z: 13 29.981 2.161 1.152 0.921 1.000 0.583 CB 1.309 13 residues pruned to eliminate duplicates Z: 9 10.436 1.935 1.013 0.914 1.000 1.000 CB 0.670 8 residues pruned to eliminate duplicates Z: 21 12.342 1.786 0.383 0.614 0.800 0.450 CB 1.253 21 residues pruned to eliminate duplicates Z: 10 4.146 1.655 0.788 0.417 0.556 0.333 CB 0.917 Z: 20 20.348 1.875 0.749 0.872 0.895 0.526 CB 1.159 20 residues pruned to eliminate duplicates Z: 17 26.906 1.920 0.782 0.887 1.000 0.625 CB 1.417 17 residues pruned to eliminate duplicates Z: 23 21.882 1.899 0.504 0.873 0.955 0.773 CB 1.246 23 residues pruned to eliminate duplicates Z: 11 20.728 1.960 0.457 0.914 1.000 1.000 CB 1.623 11 residues pruned to eliminate duplicates Z: 15 10.096 1.697 0.674 0.533 0.786 0.357 CB 1.171 15 residues pruned to eliminate duplicates Z: 16 22.542 1.951 0.593 0.928 1.000 0.867 CB 1.312 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 22 14.968 1.849 0.435 0.846 0.905 0.905 CB 1.010 22 residues pruned to eliminate duplicates Z: 10 3.685 1.518 0.369 0.317 0.889 0.222 CB 0.815 Z: 13 13.924 1.879 1.052 0.829 1.000 0.500 CB 0.785 19 residues pruned to eliminate duplicates Z: 23 15.323 1.688 0.747 0.860 0.955 0.682 CB 0.854 23 residues pruned to eliminate duplicates Z: 6 6.481 1.809 0.397 0.516 1.000 0.600 CB 1.129 8 residues pruned to eliminate duplicates Z: 11 11.263 1.820 0.936 0.879 0.800 0.700 CB 0.917 11 residues pruned to eliminate duplicates Z: 19 12.819 1.789 0.739 0.689 0.889 0.611 CB 0.919 19 residues pruned to eliminate duplicates Z: 18 15.843 1.799 0.680 0.858 0.882 0.706 CB 1.061 18 residues pruned to eliminate duplicates Z: 17 17.478 1.865 0.887 0.697 1.000 0.562 CB 1.038 17 residues pruned to eliminate duplicates Z: 15 13.626 1.820 1.030 0.734 0.929 0.714 CB 0.860 15 residues pruned to eliminate duplicates Z: 21 9.676 1.811 0.920 0.705 0.750 0.500 CB 0.688 21 residues pruned to eliminate duplicates Z: 35 19.953 1.885 0.501 0.692 0.853 0.647 CB 1.190 34 residues pruned to eliminate duplicates Z: 18 15.212 1.878 0.861 0.914 0.882 0.706 CB 0.846 18 residues pruned to eliminate duplicates Z: 23 14.596 1.841 0.746 0.619 0.818 0.500 CB 1.057 23 residues pruned to eliminate duplicates Z: 20 15.923 1.744 0.861 0.667 0.895 0.684 CB 1.078 20 residues pruned to eliminate duplicates Z: 19 12.324 1.837 0.945 0.684 0.833 0.500 CB 0.824 19 residues pruned to eliminate duplicates Z: 20 15.094 1.847 0.828 0.699 0.789 0.632 CB 1.083 20 residues pruned to eliminate duplicates Z: 15 17.526 1.945 1.060 0.929 0.857 0.857 CB 0.955 15 residues pruned to eliminate duplicates Z: 15 18.459 1.926 1.014 0.899 0.929 0.643 CB 0.979 15 residues pruned to eliminate duplicates Z: 17 13.774 1.925 0.896 0.797 0.875 0.562 CB 0.831 17 residues pruned to eliminate duplicates Z: 21 16.214 1.813 0.777 0.692 0.850 0.450 CB 1.111 21 residues pruned to eliminate duplicates Z: 31 20.531 1.881 0.683 0.704 0.867 0.600 CB 1.135 31 residues pruned to eliminate duplicates Z: 30 22.102 1.913 0.688 0.732 0.931 0.690 CB 1.108 30 residues pruned to eliminate duplicates Z: 39 27.131 1.897 0.721 0.781 0.921 0.816 CB 1.143 38 residues pruned to eliminate duplicates Z: 19 17.092 1.791 0.387 0.877 0.944 0.889 CB 1.247 19 residues pruned to eliminate duplicates Z: 30 21.913 1.865 0.614 0.723 0.897 0.586 CB 1.233 30 residues pruned to eliminate duplicates Z: 32 24.648 1.928 0.649 0.803 0.935 0.871 CB 1.143 32 residues pruned to eliminate duplicates Z: 34 27.084 1.898 0.678 0.799 0.970 0.818 CB 1.175 34 residues pruned to eliminate duplicates Z: 38 22.177 1.862 0.640 0.674 0.865 0.676 CB 1.177 38 residues pruned to eliminate duplicates Z: 39 24.889 1.869 0.734 0.766 0.868 0.605 CB 1.134 39 residues pruned to eliminate duplicates Z: 16 17.896 1.873 0.618 0.734 0.867 0.600 CB 1.426 16 residues pruned to eliminate duplicates Z: 18 22.206 1.910 0.719 0.744 0.941 0.765 CB 1.401 18 residues pruned to eliminate duplicates Z: 18 23.267 1.889 0.622 0.886 1.000 0.765 CB 1.328 16 residues pruned to eliminate duplicates Z: 17 21.420 1.873 0.634 0.897 1.000 0.812 CB 1.253 17 residues pruned to eliminate duplicates Z: 18 16.707 1.887 0.645 0.754 0.882 0.706 CB 1.180 18 residues pruned to eliminate duplicates Z: 32 25.123 1.892 0.833 0.791 0.935 0.742 CB 1.077 32 residues pruned to eliminate duplicates Z: 17 11.532 1.842 0.401 0.716 0.875 0.625 CB 1.050 17 residues pruned to eliminate duplicates Z: 32 24.554 1.808 0.840 0.746 0.903 0.516 CB 1.178 32 residues pruned to eliminate duplicates Z: 18 21.668 1.880 0.634 0.888 0.941 0.647 CB 1.309 18 residues pruned to eliminate duplicates Z: 19 21.675 1.816 0.654 0.903 0.944 0.889 CB 1.284 19 residues pruned to eliminate duplicates Z: 7 3.038 1.761 0.209 0.402 0.833 0.667 CB 0.775 7 residues pruned to eliminate duplicates 8 1.274 1.607 0.321 0.408 0.714 0.429 CB 0.350 ? Z: 12 6.260 1.667 0.631 0.630 0.818 0.545 CB 0.751 12 residues pruned to eliminate duplicates Z: 9 4.083 1.585 0.613 0.518 0.750 0.375 CB 0.740 5 residues pruned to eliminate duplicates Z: 8 5.823 1.874 0.749 0.848 1.000 0.571 CB 0.498 8 residues pruned to eliminate duplicates Z: 12 7.640 1.734 0.724 0.446 0.818 0.455 CB 0.996 14 residues pruned to eliminate duplicates Z: 6 8.768 1.878 0.900 0.842 1.000 0.800 CB 0.819 8 residues pruned to eliminate duplicates Z: 20 16.891 1.974 0.636 0.926 1.000 0.895 CB 0.841 20 residues pruned to eliminate duplicates Z: 8 3.156 1.627 0.504 0.403 0.714 0.286 CB 0.756 Z: 13 12.020 2.105 0.676 0.808 1.000 0.750 CB 0.752 13 residues pruned to eliminate duplicates Z: 12 13.221 2.084 0.582 0.858 1.000 0.818 CB 0.890 12 residues pruned to eliminate duplicates Z: 15 13.721 2.048 0.662 0.900 0.929 0.786 CB 0.829 23 residues pruned to eliminate duplicates Z: 16 12.507 2.085 0.766 0.566 0.800 0.600 CB 1.028 16 residues pruned to eliminate duplicates Z: 15 13.078 2.030 0.850 0.707 0.857 0.714 CB 0.899 15 residues pruned to eliminate duplicates Z: 13 14.299 2.150 0.464 0.755 0.917 0.833 CB 1.140 13 residues pruned to eliminate duplicates Z: 14 17.010 2.091 0.989 0.685 0.846 0.692 CB 1.132 14 residues pruned to eliminate duplicates Z: 14 13.084 2.071 0.849 0.740 0.769 0.462 CB 0.994 14 residues pruned to eliminate duplicates Z: 13 16.168 2.193 0.867 0.775 0.833 0.833 CB 1.073 13 residues pruned to eliminate duplicates Z: 18 19.127 2.000 0.972 0.649 0.824 0.529 CB 1.243 18 residues pruned to eliminate duplicates Z: 24 13.490 1.944 0.649 0.617 0.783 0.652 CB 1.003 24 residues pruned to eliminate duplicates Z: 26 27.154 2.118 0.755 0.807 0.920 0.760 CB 1.216 26 residues pruned to eliminate duplicates Z: 26 24.495 2.117 0.657 0.754 0.880 0.760 CB 1.265 26 residues pruned to eliminate duplicates Z: 28 28.724 2.060 0.770 0.775 0.963 0.741 CB 1.235 28 residues pruned to eliminate duplicates Z: 20 19.830 1.983 0.521 0.642 0.895 0.632 CB 1.476 20 residues pruned to eliminate duplicates Z: 32 25.197 2.029 0.584 0.804 0.968 0.774 CB 1.116 32 residues pruned to eliminate duplicates Z: 20 26.503 2.014 0.826 0.764 0.895 0.684 CB 1.462 20 residues pruned to eliminate duplicates Z: 40 25.861 1.987 0.674 0.753 0.897 0.744 CB 1.106 40 residues pruned to eliminate duplicates Z: 27 25.173 2.054 0.571 0.753 0.885 0.769 CB 1.380 27 residues pruned to eliminate duplicates Z: 29 30.368 2.120 0.787 0.811 0.929 0.821 CB 1.244 29 residues pruned to eliminate duplicates Z: 30 26.139 2.015 0.828 0.697 0.862 0.483 CB 1.277 30 residues pruned to eliminate duplicates Z: 32 26.698 2.056 0.733 0.729 0.871 0.452 CB 1.257 32 residues pruned to eliminate duplicates Z: 30 28.079 2.084 0.750 0.777 0.897 0.621 CB 1.248 30 residues pruned to eliminate duplicates Z: 15 19.168 1.994 0.621 0.710 1.000 0.429 CB 1.309 15 residues pruned to eliminate duplicates Z: 26 26.116 2.079 0.877 0.736 0.960 0.640 CB 1.128 26 residues pruned to eliminate duplicates Z: 26 22.590 2.093 0.644 0.746 0.920 0.680 CB 1.145 26 residues pruned to eliminate duplicates Z: 26 19.784 2.084 0.570 0.728 0.800 0.600 CB 1.231 26 residues pruned to eliminate duplicates Z: 16 5.412 1.711 0.306 0.346 0.733 0.400 CB 1.009 16 residues pruned to eliminate duplicates Z: 20 11.515 1.911 0.145 0.619 0.737 0.684 CB 1.463 20 residues pruned to eliminate duplicates Z: 16 7.785 1.789 0.450 0.350 0.933 0.800 CB 0.977 16 residues pruned to eliminate duplicates Z: 19 9.667 1.851 0.366 0.395 0.778 0.500 CB 1.295 19 residues pruned to eliminate duplicates Z: 17 12.474 1.990 0.362 0.477 0.812 0.500 N 1.449 17 residues pruned to eliminate duplicates Z: 11 6.559 1.808 0.491 0.273 0.700 0.600 N 1.422 Z: 15 17.605 1.904 0.698 0.830 0.929 0.643 CB 1.178 15 residues pruned to eliminate duplicates Z: 20 12.816 1.997 0.368 0.472 0.895 0.579 CB 1.238 31 residues pruned to eliminate duplicates Z: 20 11.961 1.962 0.205 0.474 0.895 0.684 CB 1.331 20 residues pruned to eliminate duplicates Z: 17 17.006 2.046 0.549 0.578 0.938 0.750 CB 1.327 17 residues pruned to eliminate duplicates Z: 20 14.713 2.001 0.549 0.481 0.842 0.579 CB 1.318 20 residues pruned to eliminate duplicates Z: 21 13.420 1.889 0.594 0.471 0.850 0.500 CB 1.208 21 residues pruned to eliminate duplicates Z: 11 16.966 2.109 0.705 0.657 0.800 0.800 CB 1.613 11 residues pruned to eliminate duplicates Z: 12 15.080 2.094 0.717 0.585 0.909 0.636 CB 1.282 12 residues pruned to eliminate duplicates Z: 20 13.639 1.976 0.563 0.465 0.842 0.632 CB 1.247 20 residues pruned to eliminate duplicates Z: 21 11.983 1.943 0.512 0.463 0.800 0.600 CB 1.184 21 residues pruned to eliminate duplicates Z: 26 12.872 1.867 0.529 0.462 0.720 0.640 CB 1.302 26 residues pruned to eliminate duplicates Z: 23 13.253 1.956 0.633 0.508 0.682 0.364 CB 1.287 23 residues pruned to eliminate duplicates Z: 18 13.492 1.876 0.826 0.568 0.824 0.588 CB 1.086 18 residues pruned to eliminate duplicates Z: 24 14.061 1.932 0.515 0.490 0.826 0.696 CB 1.224 24 residues pruned to eliminate duplicates Z: 41 21.154 1.934 0.447 0.625 0.850 0.625 CB 1.250 41 residues pruned to eliminate duplicates Z: 22 18.615 2.008 0.339 0.766 1.000 0.762 CB 1.193 22 residues pruned to eliminate duplicates Z: 41 24.537 1.965 0.559 0.645 0.875 0.700 CB 1.264 41 residues pruned to eliminate duplicates Z: 20 18.062 2.006 0.417 0.790 0.947 0.737 CB 1.193 20 residues pruned to eliminate duplicates Z: 18 19.839 2.041 0.381 0.814 1.000 0.824 CB 1.299 18 residues pruned to eliminate duplicates Z: 22 18.329 2.012 0.498 0.724 0.905 0.714 CB 1.199 22 residues pruned to eliminate duplicates Z: 23 15.698 1.938 0.330 0.719 0.864 0.682 CB 1.233 23 residues pruned to eliminate duplicates Z: 22 15.777 1.973 0.463 0.670 0.905 0.429 CB 1.127 22 residues pruned to eliminate duplicates Z: 40 25.453 1.971 0.601 0.652 0.872 0.692 CB 1.287 40 residues pruned to eliminate duplicates Z: 40 27.349 1.969 0.549 0.665 0.923 0.615 CB 1.335 40 residues pruned to eliminate duplicates Z: 19 22.566 1.960 0.601 0.784 1.000 0.722 CB 1.320 19 residues pruned to eliminate duplicates Z: 18 22.692 2.027 0.646 0.799 1.000 0.765 CB 1.269 18 residues pruned to eliminate duplicates Z: 25 16.665 1.933 0.502 0.657 0.917 0.583 CB 1.105 25 residues pruned to eliminate duplicates Z: 17 21.783 2.038 0.777 0.804 1.000 0.750 CB 1.153 17 residues pruned to eliminate duplicates Z: 33 27.091 1.992 0.709 0.715 0.906 0.562 CB 1.278 33 residues pruned to eliminate duplicates Z: 41 24.119 1.934 0.631 0.645 0.875 0.625 CB 1.206 41 residues pruned to eliminate duplicates Z: 42 28.130 1.978 0.502 0.702 0.927 0.634 CB 1.327 42 residues pruned to eliminate duplicates Z: 38 33.688 2.017 0.678 0.743 0.973 0.757 CB 1.353 38 residues pruned to eliminate duplicates Z: 53 34.539 2.007 0.590 0.714 0.962 0.712 CB 1.286 53 residues pruned to eliminate duplicates Z: 38 28.670 1.987 0.644 0.713 0.919 0.703 CB 1.294 38 residues pruned to eliminate duplicates Z: 54 29.290 1.962 0.689 0.675 0.887 0.585 CB 1.164 54 residues pruned to eliminate duplicates Z: 40 27.661 1.954 0.554 0.673 0.949 0.692 CB 1.310 40 residues pruned to eliminate duplicates Z: 61 29.667 1.975 0.575 0.626 0.900 0.617 CB 1.216 61 residues pruned to eliminate duplicates Z: 17 18.357 2.082 0.542 0.706 0.812 0.812 CB 1.458 17 residues pruned to eliminate duplicates Z: 16 19.274 1.974 0.473 0.746 0.933 0.800 CB 1.471 16 residues pruned to eliminate duplicates Z: 58 28.864 1.968 0.681 0.639 0.842 0.596 CB 1.205 58 residues pruned to eliminate duplicates Z: 19 20.362 1.984 0.599 0.715 0.833 0.778 CB 1.494 19 residues pruned to eliminate duplicates Z: 37 28.295 2.012 0.599 0.715 0.917 0.611 CB 1.315 37 residues pruned to eliminate duplicates Z: 42 28.929 1.986 0.606 0.717 0.902 0.683 CB 1.290 42 residues pruned to eliminate duplicates Z: 22 16.365 1.959 0.536 0.539 0.810 0.476 CB 1.411 22 residues pruned to eliminate duplicates Z: 19 22.091 2.005 0.495 0.685 0.944 0.556 CB 1.552 19 residues pruned to eliminate duplicates Z: 19 17.048 1.983 0.361 0.707 0.833 0.722 CB 1.481 19 residues pruned to eliminate duplicates Z: 44 24.063 1.970 0.462 0.661 0.860 0.721 CB 1.274 44 residues pruned to eliminate duplicates Z: 42 29.178 1.977 0.531 0.713 0.951 0.707 CB 1.304 42 residues pruned to eliminate duplicates Z: 52 31.960 2.008 0.580 0.684 0.922 0.745 CB 1.293 52 residues pruned to eliminate duplicates Z: 61 26.270 1.913 0.525 0.602 0.833 0.700 CB 1.266 61 residues pruned to eliminate duplicates Z: 8 4.047 1.474 0.711 0.242 0.714 0.143 CB 1.144 Z: 18 27.688 1.892 0.627 0.892 1.000 0.765 CB 1.567 18 residues pruned to eliminate duplicates Z: 9 4.975 1.437 0.506 0.423 0.750 0.125 O 1.174 5 residues pruned to eliminate duplicates Z: 6 4.433 1.470 0.332 0.622 0.800 0.400 O 1.128 5 residues pruned to eliminate duplicates Z: 23 17.489 1.864 0.458 0.837 0.864 0.636 CB 1.189 23 residues pruned to eliminate duplicates Z: 24 17.832 1.793 0.756 0.767 0.783 0.652 CB 1.191 24 residues pruned to eliminate duplicates Z: 25 24.802 1.962 0.687 0.815 0.917 0.708 CB 1.269 26 residues pruned to eliminate duplicates Z: 22 28.909 1.884 0.999 0.835 0.905 0.667 CB 1.386 22 residues pruned to eliminate duplicates Z: 23 26.329 1.928 0.870 0.803 1.000 0.727 CB 1.195 24 residues pruned to eliminate duplicates Z: 22 23.104 1.899 0.662 0.878 0.905 0.857 CB 1.281 22 residues pruned to eliminate duplicates Z: 22 21.358 1.938 0.692 0.865 0.905 0.762 CB 1.150 22 residues pruned to eliminate duplicates Z: 24 24.851 1.925 0.777 0.836 0.913 0.783 CB 1.242 23 residues pruned to eliminate duplicates Z: 24 28.296 1.842 0.921 0.886 0.913 0.739 CB 1.318 24 residues pruned to eliminate duplicates Z: 22 29.030 1.967 0.753 0.894 1.000 0.810 CB 1.318 22 residues pruned to eliminate duplicates Z: 23 22.155 1.932 0.800 0.831 0.818 0.727 CB 1.247 23 residues pruned to eliminate duplicates Z: 21 16.827 1.866 0.695 0.712 0.850 0.700 CB 1.155 21 residues pruned to eliminate duplicates Z: 17 24.583 2.053 0.954 0.838 0.875 0.875 CB 1.308 17 residues pruned to eliminate duplicates Z: 26 24.957 1.903 0.772 0.771 0.880 0.640 CB 1.324 26 residues pruned to eliminate duplicates Z: 23 29.477 1.952 0.916 0.811 0.955 0.682 CB 1.343 23 residues pruned to eliminate duplicates Z: 24 22.878 1.950 0.702 0.797 0.913 0.609 CB 1.213 24 residues pruned to eliminate duplicates Z: 29 21.719 1.833 0.673 0.731 0.857 0.714 CB 1.269 29 residues pruned to eliminate duplicates Z: 52 27.397 1.836 0.571 0.722 0.902 0.706 CB 1.206 52 residues pruned to eliminate duplicates Z: 30 26.813 1.967 0.638 0.797 0.897 0.724 CB 1.329 30 residues pruned to eliminate duplicates Z: 43 30.416 1.907 0.615 0.825 0.905 0.857 CB 1.271 43 residues pruned to eliminate duplicates Z: 30 28.583 1.981 0.613 0.799 0.966 0.655 CB 1.324 30 residues pruned to eliminate duplicates Z: 31 26.220 1.938 0.551 0.783 0.933 0.800 CB 1.329 31 residues pruned to eliminate duplicates Z: 29 24.991 1.973 0.539 0.826 0.929 0.821 CB 1.263 29 residues pruned to eliminate duplicates Z: 9 7.510 1.902 0.049 0.763 0.875 0.625 CB 1.204 9 residues pruned to eliminate duplicates Z: 37 28.447 1.945 0.654 0.817 0.889 0.750 CB 1.259 37 residues pruned to eliminate duplicates Z: 37 30.193 1.971 0.721 0.782 0.917 0.778 CB 1.262 37 residues pruned to eliminate duplicates Z: 36 31.600 1.986 0.757 0.859 0.914 0.800 CB 1.232 38 residues pruned to eliminate duplicates Z: 18 24.321 1.840 0.788 0.921 1.000 1.000 CB 1.262 13 residues pruned to eliminate duplicates Z: 30 24.270 1.889 0.549 0.838 0.862 0.828 CB 1.335 31 residues pruned to eliminate duplicates Z: 14 13.899 1.791 0.351 0.827 1.000 0.769 CB 1.201 13 residues pruned to eliminate duplicates Z: 19 21.152 1.912 0.575 0.853 0.889 0.778 CB 1.377 20 residues pruned to eliminate duplicates Z: 19 20.226 1.810 0.636 0.883 0.944 0.778 CB 1.233 19 residues pruned to eliminate duplicates Z: 41 36.132 1.934 0.775 0.814 0.950 0.700 CB 1.333 40 residues pruned to eliminate duplicates Z: 15 16.024 1.734 0.702 0.792 0.929 0.643 CB 1.209 15 residues pruned to eliminate duplicates Z: 18 14.084 1.705 0.684 0.634 0.882 0.706 CB 1.189 18 residues pruned to eliminate duplicates Z: 14 13.451 1.795 0.514 0.777 0.923 0.692 CB 1.165 14 residues pruned to eliminate duplicates Z: 16 13.798 1.808 0.462 0.690 0.867 0.733 CB 1.308 16 residues pruned to eliminate duplicates Z: 22 13.518 1.731 0.518 0.571 0.905 0.714 CB 1.158 22 residues pruned to eliminate duplicates Z: 9 4.431 1.708 0.461 0.422 0.625 0.250 CB 1.090 10 residues pruned to eliminate duplicates Z: 22 20.847 1.902 0.634 0.900 1.000 0.905 CB 1.046 22 residues pruned to eliminate duplicates Z: 12 11.571 1.730 0.487 0.778 0.909 0.636 CB 1.168 12 residues pruned to eliminate duplicates Z: 13 8.338 1.783 0.507 0.758 0.667 0.250 CB 1.068 13 residues pruned to eliminate duplicates Z: 22 15.821 1.820 0.705 0.846 0.952 0.571 CB 0.868 21 residues pruned to eliminate duplicates Z: 21 20.805 1.807 0.489 0.866 1.000 0.700 CB 1.266 21 residues pruned to eliminate duplicates Z: 22 27.958 1.993 0.676 0.938 1.000 0.762 CB 1.269 22 residues pruned to eliminate duplicates Z: 30 21.447 1.839 0.887 0.698 0.828 0.621 CB 1.157 30 residues pruned to eliminate duplicates Z: 20 22.944 2.021 0.676 0.820 0.947 0.684 CB 1.242 20 residues pruned to eliminate duplicates Z: 18 20.090 2.025 0.966 0.847 0.941 0.588 CB 0.965 18 residues pruned to eliminate duplicates Z: 18 20.446 2.072 0.824 0.813 0.882 0.529 CB 1.132 18 residues pruned to eliminate duplicates Z: 25 23.012 1.957 0.710 0.803 0.917 0.500 CB 1.175 25 residues pruned to eliminate duplicates Z: 14 22.972 2.146 0.753 0.897 0.923 0.538 CB 1.313 14 residues pruned to eliminate duplicates Z: 13 17.857 2.084 0.629 0.749 0.833 0.667 CB 1.458 13 residues pruned to eliminate duplicates Z: 15 16.209 2.037 0.657 0.733 0.786 0.643 CB 1.324 15 residues pruned to eliminate duplicates Z: 33 20.574 1.879 0.608 0.639 0.844 0.625 CB 1.253 34 residues pruned to eliminate duplicates Z: 13 21.201 1.956 0.837 0.858 1.000 0.750 CB 1.255 13 residues pruned to eliminate duplicates Z: 18 21.678 2.053 1.003 0.848 0.882 0.529 CB 1.075 18 residues pruned to eliminate duplicates Z: 21 22.961 2.004 0.798 0.839 0.900 0.600 CB 1.182 21 residues pruned to eliminate duplicates Z: 35 23.030 1.957 0.659 0.796 0.882 0.618 CB 1.064 38 residues pruned to eliminate duplicates Z: 18 22.133 2.090 1.082 0.887 0.882 0.529 CB 1.008 18 residues pruned to eliminate duplicates Z: 23 17.051 2.018 0.663 0.730 0.864 0.636 CB 1.020 23 residues pruned to eliminate duplicates Z: 25 22.480 1.983 0.724 0.693 0.917 0.458 CB 1.227 25 residues pruned to eliminate duplicates Z: 19 16.169 1.859 0.402 0.644 0.889 0.389 CB 1.437 19 residues pruned to eliminate duplicates Z: 38 22.800 1.809 0.668 0.710 0.838 0.541 CB 1.225 38 residues pruned to eliminate duplicates Z: 36 33.762 1.919 0.788 0.812 0.971 0.657 CB 1.304 36 residues pruned to eliminate duplicates Z: 24 18.887 1.926 0.790 0.668 0.783 0.348 CB 1.250 24 residues pruned to eliminate duplicates Z: 26 20.776 1.893 0.668 0.726 0.840 0.440 CB 1.278 26 residues pruned to eliminate duplicates Z: 30 24.036 1.957 0.864 0.743 0.828 0.241 CB 1.190 30 residues pruned to eliminate duplicates Z: 34 32.627 1.967 0.867 0.813 0.909 0.515 CB 1.295 34 residues pruned to eliminate duplicates Z: 19 20.698 1.837 0.643 0.889 0.889 0.667 CB 1.309 19 residues pruned to eliminate duplicates Z: 26 26.443 1.973 0.721 0.776 0.880 0.520 CB 1.387 26 residues pruned to eliminate duplicates Z: 37 32.158 1.996 0.659 0.858 0.972 0.722 CB 1.226 37 residues pruned to eliminate duplicates Z: 31 29.542 1.864 0.897 0.723 0.933 0.667 CB 1.337 31 residues pruned to eliminate duplicates Z: 35 30.850 1.970 0.829 0.827 0.912 0.529 CB 1.213 36 residues pruned to eliminate duplicates Z: 18 23.059 1.899 0.648 0.920 0.882 0.706 CB 1.427 18 residues pruned to eliminate duplicates Z: 21 22.879 1.785 0.757 0.853 0.900 0.500 CB 1.340 21 residues pruned to eliminate duplicates Z: 20 17.013 1.818 0.641 0.863 0.789 0.368 CB 1.215 20 residues pruned to eliminate duplicates Z: 28 18.547 1.803 0.530 0.621 0.926 0.519 CB 1.247 28 residues pruned to eliminate duplicates Z: 6 5.943 1.633 0.497 0.642 0.800 0.600 O 1.190 6 residues pruned to eliminate duplicates Z: 7 7.543 1.627 0.656 0.562 0.833 0.500 O 1.292 7 residues pruned to eliminate duplicates Z: 9 5.849 1.624 0.759 0.427 0.625 0.375 O 1.249 9 residues pruned to eliminate duplicates Z: 26 12.668 1.835 0.301 0.702 0.920 0.640 CB 0.960 26 residues pruned to eliminate duplicates Z: 16 14.776 1.829 0.372 0.941 1.000 1.000 CB 1.055 16 residues pruned to eliminate duplicates Z: 18 18.387 1.901 0.512 0.886 0.941 0.706 CB 1.189 18 residues pruned to eliminate duplicates Z: 18 13.757 1.750 0.420 0.749 0.941 0.765 CB 1.142 18 residues pruned to eliminate duplicates Z: 9 4.927 1.763 0.325 0.745 0.750 0.500 CB 0.799 9 residues pruned to eliminate duplicates Z: 17 17.339 1.817 0.528 0.847 1.000 0.812 CB 1.160 17 residues pruned to eliminate duplicates Z: 16 15.043 1.823 0.660 0.845 0.933 0.600 CB 1.022 16 residues pruned to eliminate duplicates Z: 14 12.857 1.834 0.829 0.829 1.000 0.462 CB 0.800 14 residues pruned to eliminate duplicates Z: 19 14.414 1.909 0.649 0.618 0.778 0.389 CB 1.241 19 residues pruned to eliminate duplicates Z: 33 13.416 1.790 0.423 0.576 0.750 0.344 CB 1.153 33 residues pruned to eliminate duplicates Z: 18 17.391 1.981 0.872 0.661 0.824 0.529 CB 1.190 18 residues pruned to eliminate duplicates Z: 16 19.382 2.034 0.813 0.762 0.867 0.600 CB 1.241 16 residues pruned to eliminate duplicates Z: 26 16.654 1.845 0.703 0.663 0.840 0.520 CB 1.085 26 residues pruned to eliminate duplicates Z: 33 20.068 1.831 0.619 0.717 0.875 0.469 CB 1.124 39 residues pruned to eliminate duplicates Z: 25 19.869 1.705 0.881 0.849 0.917 0.583 CB 1.022 25 residues pruned to eliminate duplicates Z: 24 15.426 1.758 0.732 0.496 0.826 0.522 CB 1.284 24 residues pruned to eliminate duplicates Z: 24 15.867 1.803 0.612 0.690 0.826 0.565 CB 1.158 24 residues pruned to eliminate duplicates Z: 28 13.402 1.797 0.770 0.594 0.852 0.481 CB 0.871 28 residues pruned to eliminate duplicates Z: 31 17.736 1.821 0.537 0.685 0.933 0.600 CB 1.046 30 residues pruned to eliminate duplicates Z: 20 17.468 1.704 0.607 0.815 1.000 0.895 CB 1.113 19 residues pruned to eliminate duplicates Z: 9 10.324 1.622 1.052 0.727 0.875 0.625 CB 1.022 Z: 16 15.427 1.757 0.767 0.927 1.000 0.933 CB 0.900 16 residues pruned to eliminate duplicates Z: 31 23.409 1.913 0.699 0.756 0.900 0.600 CB 1.163 31 residues pruned to eliminate duplicates Z: 34 22.648 1.891 0.550 0.774 0.939 0.667 CB 1.124 34 residues pruned to eliminate duplicates Z: 36 21.495 1.859 0.618 0.728 0.886 0.629 CB 1.111 45 residues pruned to eliminate duplicates Z: 11 9.600 1.703 0.433 0.671 0.900 0.600 CB 1.180 11 residues pruned to eliminate duplicates Z: 8 10.909 1.896 0.541 0.609 0.857 0.714 CB 1.485 8 residues pruned to eliminate duplicates Z: 11 8.811 1.749 0.613 0.649 0.700 0.700 CB 1.227 11 residues pruned to eliminate duplicates Z: 26 12.578 1.714 0.805 0.407 0.720 0.280 CB 1.244 26 residues pruned to eliminate duplicates Z: 10 15.467 1.771 0.809 0.885 1.000 0.778 CB 1.162 10 residues pruned to eliminate duplicates Z: 31 22.614 1.859 0.669 0.745 0.867 0.633 CB 1.233 30 residues pruned to eliminate duplicates Z: 21 21.821 1.696 0.865 0.826 1.000 0.700 CB 1.163 21 residues pruned to eliminate duplicates Z: 15 18.737 1.655 0.852 0.851 1.000 0.857 CB 1.209 14 residues pruned to eliminate duplicates Z: 20 17.500 1.674 0.865 0.846 0.947 0.737 CB 1.009 20 residues pruned to eliminate duplicates Z: 6 7.931 1.571 1.004 0.804 0.800 0.800 N 1.079 6 residues pruned to eliminate duplicates Z: 6 4.144 1.444 0.769 0.651 0.800 0.400 CB 0.788 6 residues pruned to eliminate duplicates Z: 15 14.630 1.927 0.433 0.710 1.000 0.643 CB 1.170 15 residues pruned to eliminate duplicates Z: 12 14.903 1.851 0.565 0.725 1.000 0.727 CB 1.266 12 residues pruned to eliminate duplicates Z: 20 24.854 1.990 0.563 0.931 1.000 0.895 CB 1.281 20 residues pruned to eliminate duplicates Z: 21 24.242 2.015 0.537 0.836 1.000 0.900 CB 1.310 21 residues pruned to eliminate duplicates Z: 24 18.640 1.874 0.393 0.814 0.957 0.696 CB 1.185 24 residues pruned to eliminate duplicates Z: 37 17.772 1.807 0.263 0.584 0.944 0.694 CB 1.268 36 residues pruned to eliminate duplicates Z: 20 25.074 1.997 0.448 0.923 1.000 0.895 CB 1.398 20 residues pruned to eliminate duplicates Z: 20 13.383 1.912 0.275 0.601 0.895 0.737 CB 1.279 20 residues pruned to eliminate duplicates Z: 21 17.174 1.964 0.339 0.807 0.900 0.800 CB 1.241 21 residues pruned to eliminate duplicates Z: 20 26.190 2.015 0.727 0.891 0.947 0.684 CB 1.310 20 residues pruned to eliminate duplicates Z: 19 20.623 2.004 0.876 0.679 0.889 0.722 CB 1.233 19 residues pruned to eliminate duplicates Z: 14 12.520 1.852 0.742 0.520 0.769 0.538 CB 1.373 14 residues pruned to eliminate duplicates Z: 23 25.561 1.966 0.796 0.806 0.909 0.636 CB 1.300 23 residues pruned to eliminate duplicates Z: 17 23.109 1.906 0.903 0.805 0.875 0.688 CB 1.395 17 residues pruned to eliminate duplicates Z: 16 29.050 2.012 0.839 0.840 1.000 0.733 CB 1.513 16 residues pruned to eliminate duplicates Z: 23 24.811 1.942 0.885 0.841 0.955 0.818 CB 1.129 23 residues pruned to eliminate duplicates Z: 16 20.298 1.827 0.850 0.752 0.867 0.733 CB 1.429 16 residues pruned to eliminate duplicates Z: 53 28.431 1.892 0.475 0.646 0.865 0.596 CB 1.425 52 residues pruned to eliminate duplicates Z: 17 16.706 1.893 0.174 0.898 1.000 0.812 CB 1.344 17 residues pruned to eliminate duplicates Z: 48 30.237 1.928 0.469 0.681 0.915 0.574 CB 1.440 48 residues pruned to eliminate duplicates Z: 10 9.293 1.696 0.092 0.768 1.000 0.889 CB 1.320 10 residues pruned to eliminate duplicates Z: 35 24.172 1.920 0.537 0.737 0.882 0.676 CB 1.287 36 residues pruned to eliminate duplicates Z: 16 21.029 1.974 0.424 0.924 1.000 0.933 CB 1.356 16 residues pruned to eliminate duplicates Z: 21 19.983 1.962 0.521 0.717 0.900 0.750 CB 1.368 21 residues pruned to eliminate duplicates Z: 22 20.899 1.952 0.479 0.744 0.952 0.762 CB 1.333 22 residues pruned to eliminate duplicates Z: 36 24.552 1.889 0.545 0.674 0.886 0.686 CB 1.368 36 residues pruned to eliminate duplicates Z: 34 23.176 1.882 0.525 0.682 0.879 0.667 CB 1.353 34 residues pruned to eliminate duplicates Z: 20 24.205 1.933 0.682 0.794 1.000 0.789 CB 1.319 20 residues pruned to eliminate duplicates Z: 23 19.139 1.920 0.428 0.759 0.955 0.727 CB 1.238 23 residues pruned to eliminate duplicates Z: 53 27.055 1.892 0.602 0.648 0.846 0.596 CB 1.274 53 residues pruned to eliminate duplicates Z: 20 22.185 1.908 0.468 0.757 1.000 0.789 CB 1.446 20 residues pruned to eliminate duplicates Z: 26 16.623 1.860 0.438 0.588 0.880 0.600 CB 1.298 26 residues pruned to eliminate duplicates Z: 18 23.249 1.988 0.555 0.797 1.000 0.765 CB 1.406 18 residues pruned to eliminate duplicates Z: 25 18.310 1.879 0.493 0.697 0.875 0.667 CB 1.272 25 residues pruned to eliminate duplicates Z: 20 21.574 1.945 0.557 0.726 0.895 0.579 CB 1.491 20 residues pruned to eliminate duplicates Z: 32 21.503 1.916 0.621 0.672 0.903 0.419 CB 1.175 32 residues pruned to eliminate duplicates Z: 34 22.429 1.899 0.551 0.693 0.818 0.576 CB 1.358 33 residues pruned to eliminate duplicates Z: 14 18.157 1.901 0.669 0.789 0.846 0.615 CB 1.454 15 residues pruned to eliminate duplicates Z: 15 18.550 1.792 0.683 0.854 1.000 0.643 CB 1.214 13 residues pruned to eliminate duplicates Z: 15 13.623 1.823 0.574 0.694 0.857 0.643 CB 1.240 15 residues pruned to eliminate duplicates Z: 29 15.445 1.885 0.348 0.584 0.821 0.571 CB 1.290 29 residues pruned to eliminate duplicates Z: 33 25.120 1.964 0.518 0.716 0.875 0.625 CB 1.400 33 residues pruned to eliminate duplicates Z: 14 16.649 1.929 0.488 0.757 0.846 0.769 CB 1.511 14 residues pruned to eliminate duplicates Z: 14 18.669 1.862 0.686 0.760 0.923 0.615 CB 1.417 14 residues pruned to eliminate duplicates Z: 34 24.314 1.955 0.450 0.734 0.879 0.667 CB 1.377 34 residues pruned to eliminate duplicates Z: 35 26.848 1.954 0.453 0.737 0.912 0.735 CB 1.439 35 residues pruned to eliminate duplicates Z: 13 21.696 1.936 0.642 0.894 0.917 0.917 CB 1.543 15 residues pruned to eliminate duplicates Z: 15 19.724 1.827 0.704 0.790 1.000 0.786 CB 1.313 13 residues pruned to eliminate duplicates Z: 15 19.040 1.793 0.613 0.864 1.000 0.714 CB 1.290 15 residues pruned to eliminate duplicates Z: 14 21.538 1.827 0.742 0.885 1.000 0.846 CB 1.356 14 residues pruned to eliminate duplicates Z: 36 28.435 1.876 0.562 0.745 0.943 0.686 CB 1.397 36 residues pruned to eliminate duplicates Z: 17 19.422 1.867 0.475 0.903 1.000 0.875 CB 1.257 17 residues pruned to eliminate duplicates Z: 15 10.266 1.765 0.305 0.590 0.857 0.429 CB 1.274 15 residues pruned to eliminate duplicates Z: 18 19.829 1.857 0.630 0.884 1.000 0.765 CB 1.148 18 residues pruned to eliminate duplicates Z: 20 16.900 1.885 0.574 0.776 0.895 0.684 CB 1.145 20 residues pruned to eliminate duplicates Z: 15 23.007 1.919 0.799 0.925 1.000 0.714 CB 1.250 17 residues pruned to eliminate duplicates Z: 19 17.655 1.827 0.546 0.831 1.000 0.667 CB 1.107 19 residues pruned to eliminate duplicates Z: 17 20.024 1.863 0.770 0.884 1.000 0.750 CB 1.097 15 residues pruned to eliminate duplicates Z: 17 18.317 1.875 0.769 0.922 1.000 0.688 CB 0.971 17 residues pruned to eliminate duplicates Z: 20 15.300 1.800 0.725 0.908 0.947 0.684 CB 0.847 20 residues pruned to eliminate duplicates Z: 14 11.502 1.767 0.883 0.730 0.846 0.615 CB 0.921 14 residues pruned to eliminate duplicates Z: 18 15.331 1.877 0.610 0.841 0.941 0.647 CB 0.975 18 residues pruned to eliminate duplicates Z: 12 10.200 1.753 0.812 0.823 0.909 0.545 CB 0.805 12 residues pruned to eliminate duplicates Z: 21 15.022 1.854 0.669 0.765 0.900 0.600 CB 0.954 21 residues pruned to eliminate duplicates Z: 17 18.860 1.882 0.764 0.890 0.938 0.750 CB 1.090 17 residues pruned to eliminate duplicates Z: 20 11.232 1.698 0.753 0.550 0.737 0.421 CB 1.119 20 residues pruned to eliminate duplicates Z: 21 15.286 1.805 0.788 0.731 0.800 0.350 CB 1.075 18 residues pruned to eliminate duplicates Z: 18 20.323 1.880 0.862 0.821 0.882 0.765 CB 1.208 18 residues pruned to eliminate duplicates Z: 23 12.239 1.586 0.440 0.717 0.864 0.682 CB 1.087 24 residues pruned to eliminate duplicates Z: 14 12.023 1.648 0.285 0.916 0.923 0.923 CB 1.205 15 residues pruned to eliminate duplicates Z: 12 11.414 1.677 0.351 0.931 0.909 0.909 CB 1.167 12 residues pruned to eliminate duplicates Z: 34 21.842 1.747 0.667 0.775 0.879 0.545 CB 1.165 33 residues pruned to eliminate duplicates Z: 12 11.333 1.628 0.299 0.851 1.000 0.636 CB 1.196 12 residues pruned to eliminate duplicates Z: 30 15.784 1.720 0.545 0.748 0.862 0.621 CB 1.025 30 residues pruned to eliminate duplicates Z: 18 9.835 1.745 0.426 0.596 0.706 0.588 CB 1.240 18 residues pruned to eliminate duplicates Z: 49 25.899 1.770 0.624 0.728 0.875 0.708 CB 1.211 53 residues pruned to eliminate duplicates Z: 14 17.147 1.600 0.630 0.866 1.000 0.769 CB 1.335 14 residues pruned to eliminate duplicates Z: 19 12.866 1.656 0.605 0.653 0.778 0.667 CB 1.271 19 residues pruned to eliminate duplicates Z: 13 14.520 1.668 0.608 0.817 0.917 0.750 CB 1.295 13 residues pruned to eliminate duplicates Z: 12 13.929 1.655 0.588 0.775 1.000 0.727 CB 1.252 12 residues pruned to eliminate duplicates Z: 12 11.968 1.665 0.699 0.764 0.818 0.727 CB 1.233 12 residues pruned to eliminate duplicates Z: 22 11.325 1.614 0.320 0.608 0.810 0.667 CB 1.292 22 residues pruned to eliminate duplicates Z: 22 12.001 1.770 0.421 0.589 0.810 0.619 CB 1.180 22 residues pruned to eliminate duplicates Z: 20 9.844 1.741 0.213 0.680 0.842 0.632 CB 1.076 20 residues pruned to eliminate duplicates Z: 8 2.735 1.753 0.130 0.342 0.571 0.571 CB 1.085 8 residues pruned to eliminate duplicates Z: 17 11.922 1.870 0.298 0.652 0.875 0.750 CB 1.219 17 residues pruned to eliminate duplicates Z: 7 2.661 1.901 0.011 0.210 0.667 0.333 CB 1.194 7 residues pruned to eliminate duplicates Z: 12 5.159 1.793 0.174 0.346 0.636 0.455 CB 1.373 12 residues pruned to eliminate duplicates Z: 11 7.208 1.900 0.187 0.446 0.800 0.600 CB 1.335 11 residues pruned to eliminate duplicates Z: 6 6.879 1.683 0.322 0.645 1.000 0.600 CB 1.207 6 residues pruned to eliminate duplicates Z: 21 10.850 1.736 0.200 0.679 0.900 0.600 CB 1.098 21 residues pruned to eliminate duplicates Z: 20 12.677 1.764 0.277 0.675 0.895 0.684 CB 1.228 20 residues pruned to eliminate duplicates Z: 19 13.091 1.799 0.380 0.682 0.889 0.722 CB 1.183 19 residues pruned to eliminate duplicates Z: 19 10.700 1.704 0.352 0.586 0.833 0.667 CB 1.209 19 residues pruned to eliminate duplicates Z: 18 12.381 1.817 0.263 0.640 0.882 0.647 CB 1.301 18 residues pruned to eliminate duplicates Z: 19 13.061 1.830 0.224 0.683 0.889 0.667 CB 1.307 19 residues pruned to eliminate duplicates Z: 19 11.651 1.769 0.268 0.721 0.889 0.667 CB 1.129 19 residues pruned to eliminate duplicates Z: 20 13.844 1.796 0.425 0.705 0.895 0.684 CB 1.150 20 residues pruned to eliminate duplicates Z: 17 12.715 1.858 0.271 0.677 0.875 0.625 CB 1.307 17 residues pruned to eliminate duplicates Z: 20 13.310 1.792 0.294 0.693 0.895 0.684 CB 1.234 21 residues pruned to eliminate duplicates Z: 18 14.408 1.551 0.460 0.862 0.941 0.765 CB 1.205 17 residues pruned to eliminate duplicates Z: 14 14.769 1.727 0.379 0.851 1.000 0.846 CB 1.273 14 residues pruned to eliminate duplicates Z: 21 11.225 1.768 0.308 0.623 0.850 0.700 CB 1.137 21 residues pruned to eliminate duplicates Z: 13 8.558 1.699 0.561 0.669 0.667 0.417 CB 1.196 13 residues pruned to eliminate duplicates Z: 12 12.177 1.702 0.484 0.800 1.000 0.636 CB 1.118 12 residues pruned to eliminate duplicates Z: 11 9.572 1.693 0.370 0.782 1.000 0.300 CB 1.018 11 residues pruned to eliminate duplicates Z: 12 10.968 1.721 0.774 0.724 0.818 0.364 CB 1.082 12 residues pruned to eliminate duplicates Z: 10 8.133 1.672 0.386 0.782 0.889 0.667 CB 1.026 10 residues pruned to eliminate duplicates Z: 15 16.364 1.726 0.721 0.811 1.000 0.714 CB 1.124 15 residues pruned to eliminate duplicates Z: 16 16.027 1.664 0.558 0.897 1.000 0.533 CB 1.142 15 residues pruned to eliminate duplicates Z: 13 12.331 1.672 0.525 0.825 1.000 0.500 CB 1.053 13 residues pruned to eliminate duplicates Z: 15 14.835 1.717 0.658 0.791 0.929 0.643 CB 1.162 15 residues pruned to eliminate duplicates Z: 16 16.458 1.717 0.507 0.892 1.000 0.733 CB 1.180 17 residues pruned to eliminate duplicates Z: 17 14.716 1.679 0.528 0.888 1.000 0.938 CB 1.033 17 residues pruned to eliminate duplicates Z: 14 9.302 1.682 0.514 0.742 0.769 0.308 CB 1.060 14 residues pruned to eliminate duplicates Z: 17 15.143 1.680 0.520 0.751 1.000 0.500 CB 1.185 15 residues pruned to eliminate duplicates Z: 15 12.923 1.762 0.552 0.798 0.857 0.643 CB 1.134 15 residues pruned to eliminate duplicates Z: 15 12.271 1.782 0.628 0.765 0.929 0.714 CB 0.962 15 residues pruned to eliminate duplicates Z: 12 11.099 1.853 0.400 0.800 0.909 0.818 CB 1.092 12 residues pruned to eliminate duplicates Z: 13 14.735 1.839 0.693 0.745 1.000 0.667 CB 1.097 13 residues pruned to eliminate duplicates Z: 11 14.363 1.905 0.771 0.876 1.000 1.000 CB 0.979 11 residues pruned to eliminate duplicates Z: 15 13.611 1.802 0.640 0.769 0.857 0.643 CB 1.131 15 residues pruned to eliminate duplicates Z: 15 10.983 1.813 0.550 0.698 0.857 0.643 CB 1.017 15 residues pruned to eliminate duplicates Z: 16 12.496 1.711 0.641 0.703 0.933 0.667 CB 1.023 14 residues pruned to eliminate duplicates Z: 14 14.841 1.841 0.699 0.818 0.923 0.846 CB 1.081 17 residues pruned to eliminate duplicates Z: 14 18.177 1.795 0.873 0.886 1.000 0.615 CB 1.083 14 residues pruned to eliminate duplicates Z: 14 16.545 1.807 0.736 0.916 1.000 0.923 CB 1.033 14 residues pruned to eliminate duplicates Z: 14 14.398 1.766 0.697 0.897 0.923 0.538 CB 1.034 14 residues pruned to eliminate duplicates Z: 20 9.994 1.553 0.717 0.700 0.895 0.474 CB 0.801 20 residues pruned to eliminate duplicates Z: 9 2.175 1.522 0.207 0.171 0.500 0.250 N 1.247 2 residues pruned to eliminate duplicates Z: 16 13.846 1.782 0.572 0.808 0.867 0.667 CB 1.126 16 residues pruned to eliminate duplicates Z: 14 12.143 1.808 0.513 0.702 0.846 0.769 CB 1.211 14 residues pruned to eliminate duplicates Z: 17 7.938 1.801 0.144 0.480 0.875 0.438 CB 1.123 22 residues pruned to eliminate duplicates Z: 17 8.185 1.875 0.122 0.784 0.938 0.875 CB 0.808 17 residues pruned to eliminate duplicates Z: 40 18.389 1.895 0.380 0.718 0.872 0.667 CB 1.060 43 residues pruned to eliminate duplicates Z: 19 14.066 1.843 0.465 0.918 1.000 0.889 CB 0.865 19 residues pruned to eliminate duplicates Z: 12 7.321 1.838 0.484 0.725 0.909 0.818 CB 0.727 12 residues pruned to eliminate duplicates Z: 22 9.354 1.819 0.223 0.820 0.905 0.762 CB 0.768 22 residues pruned to eliminate duplicates Z: 13 12.897 1.925 0.529 0.856 1.000 0.917 CB 0.933 13 residues pruned to eliminate duplicates Z: 21 15.198 1.927 0.478 0.791 0.900 0.850 CB 1.027 21 residues pruned to eliminate duplicates Z: 20 13.446 1.974 0.416 0.884 0.947 0.895 CB 0.842 20 residues pruned to eliminate duplicates Z: 56 28.583 1.897 0.501 0.731 0.945 0.709 CB 1.163 56 residues pruned to eliminate duplicates Z: 36 26.642 1.963 0.629 0.802 0.914 0.686 CB 1.182 36 residues pruned to eliminate duplicates Z: 18 17.564 1.941 0.852 0.872 0.941 0.647 CB 0.917 18 residues pruned to eliminate duplicates Z: 22 18.071 1.890 0.842 0.748 0.905 0.714 CB 1.003 22 residues pruned to eliminate duplicates Z: 23 17.115 1.972 0.541 0.706 0.864 0.682 CB 1.153 23 residues pruned to eliminate duplicates Z: 21 19.870 1.969 0.826 0.791 1.000 0.600 CB 0.957 21 residues pruned to eliminate duplicates Z: 28 23.339 1.891 0.852 0.724 0.889 0.741 CB 1.179 47 residues pruned to eliminate duplicates Z: 18 20.144 2.001 0.953 0.820 0.882 0.706 CB 1.073 18 residues pruned to eliminate duplicates Z: 8 2.548 1.652 0.611 0.370 0.429 0.286 CB 0.971 8 residues pruned to eliminate duplicates Z: 36 24.556 1.958 0.718 0.762 0.857 0.629 CB 1.141 36 residues pruned to eliminate duplicates Z: 35 24.514 1.915 0.772 0.753 0.882 0.529 CB 1.121 35 residues pruned to eliminate duplicates Z: 36 26.870 1.939 0.704 0.780 0.886 0.600 CB 1.213 36 residues pruned to eliminate duplicates Z: 22 15.201 1.891 0.393 0.631 0.857 0.476 CB 1.298 22 residues pruned to eliminate duplicates Z: 33 23.195 1.940 0.648 0.794 0.938 0.656 CB 1.057 33 residues pruned to eliminate duplicates Z: 40 24.224 1.923 0.708 0.641 0.923 0.487 CB 1.121 40 residues pruned to eliminate duplicates Z: 23 16.704 1.919 0.522 0.613 0.818 0.545 CB 1.339 23 residues pruned to eliminate duplicates Z: 37 28.025 1.949 0.723 0.823 0.917 0.667 CB 1.147 35 residues pruned to eliminate duplicates Z: 20 24.092 1.900 0.535 0.793 1.000 0.526 CB 1.466 20 residues pruned to eliminate duplicates Z: 39 27.303 1.904 0.743 0.799 0.947 0.605 CB 1.084 40 residues pruned to eliminate duplicates Z: 18 22.547 1.974 0.519 0.867 1.000 0.706 CB 1.334 18 residues pruned to eliminate duplicates Z: 55 32.106 1.943 0.596 0.772 0.944 0.759 CB 1.173 55 residues pruned to eliminate duplicates Z: 32 28.221 2.005 0.777 0.780 0.968 0.645 CB 1.148 32 residues pruned to eliminate duplicates Z: 58 30.599 1.946 0.548 0.763 0.947 0.702 CB 1.124 58 residues pruned to eliminate duplicates Z: 38 26.342 1.960 0.678 0.760 0.946 0.649 CB 1.104 38 residues pruned to eliminate duplicates Z: 51 29.911 1.933 0.644 0.740 0.960 0.740 CB 1.118 51 residues pruned to eliminate duplicates Z: 35 27.135 1.965 0.637 0.820 0.971 0.647 CB 1.130 35 residues pruned to eliminate duplicates Z: 59 31.514 1.911 0.665 0.716 0.931 0.690 CB 1.149 59 residues pruned to eliminate duplicates Z: 28 17.836 1.911 0.581 0.578 0.815 0.407 CB 1.294 28 residues pruned to eliminate duplicates Z: 44 23.256 1.881 0.757 0.610 0.837 0.535 CB 1.154 44 residues pruned to eliminate duplicates Z: 55 34.395 1.965 0.706 0.755 0.963 0.685 CB 1.155 55 residues pruned to eliminate duplicates Z: 36 20.436 1.891 0.357 0.612 0.943 0.629 CB 1.284 36 residues pruned to eliminate duplicates Z: 62 31.774 1.967 0.578 0.725 0.934 0.656 CB 1.145 62 residues pruned to eliminate duplicates Z: 56 33.824 1.979 0.645 0.779 0.927 0.636 CB 1.181 56 residues pruned to eliminate duplicates Z: 27 18.802 1.971 0.464 0.640 0.923 0.692 CB 1.214 27 residues pruned to eliminate duplicates Z: 56 31.184 1.949 0.767 0.774 0.909 0.582 CB 1.055 56 residues pruned to eliminate duplicates Z: 23 9.036 1.688 0.489 0.467 0.773 0.364 CB 1.026 23 residues pruned to eliminate duplicates Z: 47 26.224 1.947 0.504 0.674 0.891 0.522 CB 1.262 47 residues pruned to eliminate duplicates Z: 24 21.329 2.004 0.570 0.700 0.957 0.696 CB 1.232 24 residues pruned to eliminate duplicates Z: 57 37.360 1.978 0.789 0.711 0.929 0.661 CB 1.255 57 residues pruned to eliminate duplicates Z: 63 33.215 1.923 0.777 0.685 0.919 0.532 CB 1.133 63 residues pruned to eliminate duplicates Z: 59 34.369 1.946 0.824 0.721 0.879 0.534 CB 1.185 59 residues pruned to eliminate duplicates Z: 59 31.816 1.947 0.734 0.714 0.862 0.534 CB 1.182 59 residues pruned to eliminate duplicates Z: 62 33.877 1.930 0.703 0.697 0.902 0.590 CB 1.223 62 residues pruned to eliminate duplicates Z: 60 34.118 1.964 0.699 0.725 0.949 0.492 CB 1.145 60 residues pruned to eliminate duplicates Z: 58 33.927 1.962 0.694 0.733 0.947 0.632 CB 1.158 58 residues pruned to eliminate duplicates Z: 60 34.315 1.970 0.716 0.748 0.932 0.610 CB 1.136 60 residues pruned to eliminate duplicates Z: 21 26.479 2.035 0.754 0.724 1.000 0.550 CB 1.355 21 residues pruned to eliminate duplicates Z: 61 34.783 1.947 0.787 0.752 0.933 0.617 CB 1.105 61 residues pruned to eliminate duplicates Z: 76 36.746 1.919 0.700 0.764 0.907 0.560 CB 1.135 76 residues pruned to eliminate duplicates Z: 18 20.087 1.926 0.873 0.910 0.824 0.412 CB 1.163 18 residues pruned to eliminate duplicates Z: 75 38.120 1.936 0.675 0.754 0.919 0.635 CB 1.186 75 residues pruned to eliminate duplicates Z: 7 5.382 1.935 0.040 0.536 1.000 0.667 CB 1.054 7 residues pruned to eliminate duplicates Z: 80 35.844 1.903 0.553 0.744 0.949 0.633 CB 1.156 88 residues pruned to eliminate duplicates Z: 7 4.730 1.908 0.007 0.464 1.000 0.833 CB 1.043 7 residues pruned to eliminate duplicates Z: 12 5.266 1.838 0.242 0.267 0.818 0.545 CB 1.107 12 residues pruned to eliminate duplicates Z: 19 14.856 1.880 0.275 0.756 0.944 0.722 CB 1.231 19 residues pruned to eliminate duplicates Z: 67 30.912 1.886 0.530 0.704 0.909 0.515 CB 1.205 67 residues pruned to eliminate duplicates Z: 72 33.999 1.916 0.602 0.708 0.901 0.549 CB 1.207 72 residues pruned to eliminate duplicates Z: 36 27.534 1.952 0.569 0.730 0.914 0.629 CB 1.352 36 residues pruned to eliminate duplicates Z: 26 11.179 1.775 0.294 0.577 0.760 0.480 CB 1.189 26 residues pruned to eliminate duplicates Z: 78 35.216 1.899 0.634 0.710 0.896 0.610 CB 1.193 78 residues pruned to eliminate duplicates Z: 46 25.504 1.898 0.568 0.667 0.911 0.644 CB 1.201 46 residues pruned to eliminate duplicates Z: 29 16.092 1.823 0.619 0.604 0.893 0.500 CB 1.045 29 residues pruned to eliminate duplicates Z: 29 14.315 1.912 0.320 0.590 0.893 0.607 CB 1.102 29 residues pruned to eliminate duplicates Z: 41 27.557 1.967 0.517 0.719 0.950 0.800 CB 1.261 41 residues pruned to eliminate duplicates Z: 45 24.552 1.878 0.589 0.728 0.864 0.636 CB 1.170 45 residues pruned to eliminate duplicates Z: 36 21.528 1.900 0.438 0.641 0.914 0.657 CB 1.276 25 residues pruned to eliminate duplicates Z: 19 16.897 1.879 0.547 0.803 0.889 0.722 CB 1.182 19 residues pruned to eliminate duplicates Z: 43 26.408 1.952 0.530 0.734 0.905 0.714 CB 1.222 43 residues pruned to eliminate duplicates Z: 43 27.464 1.947 0.539 0.719 0.905 0.643 CB 1.282 43 residues pruned to eliminate duplicates Z: 23 24.007 1.983 0.703 0.739 0.909 0.682 CB 1.345 23 residues pruned to eliminate duplicates Z: 43 26.504 1.934 0.599 0.731 0.881 0.690 CB 1.219 43 residues pruned to eliminate duplicates Z: 31 19.675 1.936 0.397 0.622 0.900 0.700 CB 1.315 31 residues pruned to eliminate duplicates Z: 44 23.122 1.908 0.436 0.659 0.930 0.651 CB 1.194 44 residues pruned to eliminate duplicates Z: 36 28.551 1.983 0.555 0.759 0.943 0.714 CB 1.318 36 residues pruned to eliminate duplicates Z: 20 21.789 1.889 0.738 0.730 0.895 0.632 CB 1.383 20 residues pruned to eliminate duplicates Z: 21 23.556 2.006 0.700 0.785 0.900 0.700 CB 1.335 21 residues pruned to eliminate duplicates Z: 19 24.413 2.021 0.665 0.765 0.944 0.778 CB 1.431 19 residues pruned to eliminate duplicates Z: 38 24.527 1.918 0.601 0.715 0.946 0.514 CB 1.143 38 residues pruned to eliminate duplicates Z: 102 45.149 1.953 0.667 0.730 0.931 0.614 CB 1.206 102 residues pruned to eliminate duplicates Z: 44 22.931 1.880 0.460 0.651 0.884 0.628 CB 1.252 44 residues pruned to eliminate duplicates Z: 43 28.420 1.907 0.744 0.715 0.976 0.714 CB 1.111 43 residues pruned to eliminate duplicates Z: 99 39.803 1.917 0.688 0.701 0.908 0.602 CB 1.139 99 residues pruned to eliminate duplicates Z: 20 16.691 1.891 0.583 0.717 0.842 0.579 CB 1.249 20 residues pruned to eliminate duplicates Z: 42 29.398 1.945 0.600 0.733 0.951 0.610 CB 1.258 42 residues pruned to eliminate duplicates Z: 41 24.235 1.935 0.589 0.669 0.850 0.575 CB 1.255 41 residues pruned to eliminate duplicates Z: 43 25.234 1.902 0.751 0.690 0.833 0.571 CB 1.179 53 residues pruned to eliminate duplicates Z: 17 22.795 1.925 0.766 0.894 0.875 0.750 CB 1.374 17 residues pruned to eliminate duplicates Z: 98 39.465 1.921 0.610 0.696 0.918 0.680 CB 1.181 98 residues pruned to eliminate duplicates Z: 18 30.129 1.887 0.787 0.905 1.000 0.941 CB 1.543 18 residues pruned to eliminate duplicates Z: 18 25.823 1.899 0.858 0.904 0.941 0.882 CB 1.343 18 residues pruned to eliminate duplicates Z: 7 3.818 1.457 0.227 0.704 0.833 0.333 O 0.869 Z: 10 8.787 1.645 0.565 0.791 0.889 0.778 CB 0.991 14 residues pruned to eliminate duplicates Z: 12 9.058 1.578 0.677 0.636 0.727 0.545 O 1.249 12 residues pruned to eliminate duplicates Z: 12 10.217 1.592 0.807 0.790 0.909 0.545 CB 0.914 12 residues pruned to eliminate duplicates Z: 15 10.799 1.577 0.421 0.648 1.000 0.500 CB 1.122 15 residues pruned to eliminate duplicates Z: 11 7.424 1.522 0.594 0.688 0.800 0.400 CB 1.018 11 residues pruned to eliminate duplicates Z: 8 7.791 1.744 0.657 0.608 0.857 0.714 CB 1.073 8 residues pruned to eliminate duplicates Z: 14 11.118 1.729 0.663 0.812 0.923 0.615 CB 0.886 14 residues pruned to eliminate duplicates Z: 7 5.932 1.780 0.840 0.637 0.667 0.333 CB 0.976 7 residues pruned to eliminate duplicates Z: 25 16.579 1.753 0.694 0.766 0.958 0.583 CB 0.940 28 residues pruned to eliminate duplicates Z: 15 12.369 1.800 0.751 0.882 1.000 0.714 CB 0.759 15 residues pruned to eliminate duplicates Z: 13 10.157 1.778 1.011 0.870 0.917 0.667 CB 0.653 13 residues pruned to eliminate duplicates Z: 31 17.353 1.761 0.700 0.753 0.933 0.500 CB 0.905 34 residues pruned to eliminate duplicates Z: 11 8.765 1.824 0.528 0.819 1.000 0.900 CB 0.754 11 residues pruned to eliminate duplicates Z: 21 14.396 1.819 0.912 0.843 0.850 0.600 CB 0.811 21 residues pruned to eliminate duplicates Z: 14 9.782 1.804 0.822 0.808 0.923 0.462 CB 0.684 14 residues pruned to eliminate duplicates Z: 14 9.406 1.772 0.883 0.839 1.000 0.615 CB 0.584 14 residues pruned to eliminate duplicates Z: 22 11.875 1.740 0.732 0.841 0.857 0.429 CB 0.748 22 residues pruned to eliminate duplicates Z: 19 13.469 1.750 0.702 0.754 0.889 0.556 CB 0.956 19 residues pruned to eliminate duplicates Z: 19 13.692 1.881 0.777 0.731 0.833 0.556 CB 0.941 19 residues pruned to eliminate duplicates Z: 12 10.823 1.943 0.561 0.645 0.818 0.636 CB 1.149 12 residues pruned to eliminate duplicates Z: 21 10.916 1.782 0.423 0.561 0.900 0.700 CB 1.007 21 residues pruned to eliminate duplicates Z: 31 14.789 1.791 0.447 0.717 0.933 0.600 CB 0.917 31 residues pruned to eliminate duplicates Z: 29 16.136 1.799 0.674 0.693 0.929 0.714 CB 0.915 29 residues pruned to eliminate duplicates Z: 16 8.007 1.761 0.209 0.475 0.867 0.667 CB 1.149 16 residues pruned to eliminate duplicates Z: 23 17.595 1.857 0.851 0.747 0.955 0.682 CB 0.916 23 residues pruned to eliminate duplicates Z: 32 19.221 1.833 0.543 0.735 0.903 0.645 CB 1.094 32 residues pruned to eliminate duplicates Z: 34 17.131 1.780 0.635 0.687 0.939 0.455 CB 0.919 34 residues pruned to eliminate duplicates Z: 31 19.122 1.793 0.630 0.778 0.967 0.667 CB 0.966 31 residues pruned to eliminate duplicates Z: 14 13.589 1.865 0.402 0.738 0.923 0.769 CB 1.262 14 residues pruned to eliminate duplicates Z: 23 15.250 1.802 0.510 0.659 0.864 0.682 CB 1.193 23 residues pruned to eliminate duplicates Z: 32 21.402 1.832 0.746 0.815 0.935 0.613 CB 0.977 32 residues pruned to eliminate duplicates Z: 7 4.573 1.546 0.644 0.616 0.667 0.667 O 0.987 7 residues pruned to eliminate duplicates Z: 10 8.380 1.706 0.446 0.719 0.778 0.556 CB 1.194 10 residues pruned to eliminate duplicates Z: 9 9.553 1.731 0.527 0.765 0.875 0.500 O 1.155 9 residues pruned to eliminate duplicates Z: 11 8.175 1.636 0.407 0.686 0.800 0.700 O 1.183 11 residues pruned to eliminate duplicates Z: 10 7.962 1.674 0.616 0.715 0.778 0.444 CB 1.038 10 residues pruned to eliminate duplicates Z: 19 15.464 1.894 0.403 0.755 0.944 0.833 CB 1.158 19 residues pruned to eliminate duplicates Z: 21 21.816 1.967 0.482 0.840 1.000 0.950 CB 1.249 21 residues pruned to eliminate duplicates Z: 19 18.830 1.893 0.643 0.753 1.000 0.944 CB 1.139 19 residues pruned to eliminate duplicates Z: 19 19.184 1.906 0.724 0.749 0.944 0.778 CB 1.166 19 residues pruned to eliminate duplicates Z: 21 22.115 1.985 0.589 0.804 0.900 0.750 CB 1.336 21 residues pruned to eliminate duplicates Z: 21 18.473 1.857 0.488 0.694 0.950 0.850 CB 1.318 21 residues pruned to eliminate duplicates Z: 20 24.595 2.006 0.799 0.809 0.947 0.842 CB 1.260 20 residues pruned to eliminate duplicates Z: 23 28.260 2.055 0.781 0.857 0.955 0.773 CB 1.272 23 residues pruned to eliminate duplicates Z: 24 26.977 1.930 0.818 0.851 0.913 0.609 CB 1.300 24 residues pruned to eliminate duplicates Z: 22 28.269 2.051 0.720 0.866 0.952 0.714 CB 1.344 22 residues pruned to eliminate duplicates Z: 23 24.655 1.988 0.684 0.850 0.955 0.682 CB 1.219 23 residues pruned to eliminate duplicates Z: 25 22.744 1.941 0.786 0.862 0.917 0.875 CB 1.073 25 residues pruned to eliminate duplicates Z: 25 21.418 1.902 0.616 0.777 0.917 0.667 CB 1.216 25 residues pruned to eliminate duplicates Z: 23 26.754 2.032 0.740 0.848 0.955 0.727 CB 1.254 23 residues pruned to eliminate duplicates Z: 20 28.994 2.031 0.943 0.928 1.000 0.789 CB 1.180 20 residues pruned to eliminate duplicates Z: 21 27.849 2.044 0.847 0.900 0.950 0.750 CB 1.240 21 residues pruned to eliminate duplicates Z: 22 27.043 2.023 0.831 0.851 0.952 0.810 CB 1.238 22 residues pruned to eliminate duplicates Z: 20 26.561 2.038 0.992 0.842 0.947 0.632 CB 1.181 20 residues pruned to eliminate duplicates Z: 25 24.412 1.991 0.863 0.852 0.917 0.708 CB 1.084 25 residues pruned to eliminate duplicates Z: 25 23.135 1.948 1.055 0.797 0.875 0.542 CB 1.039 25 residues pruned to eliminate duplicates Z: 27 23.459 1.929 0.974 0.776 0.923 0.654 CB 1.026 27 residues pruned to eliminate duplicates Z: 40 26.450 1.942 0.615 0.782 0.923 0.692 CB 1.141 40 residues pruned to eliminate duplicates Z: 20 12.417 1.823 0.403 0.480 0.895 0.526 CB 1.270 20 residues pruned to eliminate duplicates Z: 19 22.234 1.991 0.476 0.827 1.000 0.889 CB 1.343 19 residues pruned to eliminate duplicates Z: 35 33.280 2.049 0.955 0.836 0.912 0.735 CB 1.170 35 residues pruned to eliminate duplicates Z: 22 25.710 1.953 0.741 0.793 0.952 0.762 CB 1.340 22 residues pruned to eliminate duplicates Z: 40 37.175 2.000 1.001 0.862 0.949 0.692 CB 1.151 40 residues pruned to eliminate duplicates Z: 36 31.969 1.952 0.967 0.788 0.914 0.657 CB 1.196 36 residues pruned to eliminate duplicates Z: 28 19.258 2.004 0.817 0.651 0.778 0.481 CB 1.137 28 residues pruned to eliminate duplicates Z: 19 15.573 1.824 0.953 0.536 0.833 0.389 CB 1.194 19 residues pruned to eliminate duplicates Z: 43 36.852 1.980 0.871 0.814 0.952 0.619 CB 1.227 43 residues pruned to eliminate duplicates Z: 23 24.583 1.962 0.799 0.794 0.909 0.773 CB 1.263 23 residues pruned to eliminate duplicates Z: 21 28.312 1.994 0.847 0.834 1.000 0.600 CB 1.288 21 residues pruned to eliminate duplicates Z: 21 26.260 2.004 0.912 0.782 0.950 0.750 CB 1.258 21 residues pruned to eliminate duplicates Z: 22 28.278 1.990 0.867 0.779 0.952 0.667 CB 1.364 22 residues pruned to eliminate duplicates Z: 41 36.567 1.983 0.918 0.831 0.950 0.750 CB 1.202 41 residues pruned to eliminate duplicates Z: 17 22.947 1.913 0.918 0.803 0.938 0.625 CB 1.280 16 residues pruned to eliminate duplicates Z: 19 26.802 1.991 0.717 0.908 1.000 0.778 CB 1.312 20 residues pruned to eliminate duplicates Z: 20 30.138 1.956 0.656 0.910 1.000 0.842 CB 1.514 20 residues pruned to eliminate duplicates Z: 44 35.683 1.983 0.914 0.831 0.953 0.767 CB 1.130 44 residues pruned to eliminate duplicates Z: 20 26.858 1.957 0.985 0.872 0.895 0.632 CB 1.292 20 residues pruned to eliminate duplicates Z: 8 2.810 1.561 0.156 0.477 0.714 0.714 CB 0.844 6 residues pruned to eliminate duplicates Z: 20 12.793 1.726 0.354 0.881 1.000 0.947 CB 0.909 20 residues pruned to eliminate duplicates Z: 9 9.113 1.700 0.401 0.877 1.000 0.875 CB 0.982 10 residues pruned to eliminate duplicates Z: 11 6.444 1.700 0.522 0.854 1.000 0.700 CB 0.582 11 residues pruned to eliminate duplicates Z: 12 6.758 1.650 0.508 0.624 0.818 0.636 CB 0.891 12 residues pruned to eliminate duplicates Z: 14 8.420 1.579 0.906 0.693 0.923 0.462 CB 0.705 14 residues pruned to eliminate duplicates Z: 10 10.599 1.842 0.525 0.806 1.000 0.667 CB 0.963 10 residues pruned to eliminate duplicates Z: 14 7.954 1.712 0.624 0.771 0.923 0.769 CB 0.676 14 residues pruned to eliminate duplicates Z: 13 9.612 1.757 0.843 0.647 0.833 0.500 CB 0.896 13 residues pruned to eliminate duplicates Z: 16 11.576 1.820 0.633 0.769 0.867 0.533 CB 0.914 16 residues pruned to eliminate duplicates Z: 16 13.270 1.835 0.863 0.719 0.933 0.600 CB 0.881 16 residues pruned to eliminate duplicates Z: 31 14.124 1.758 0.676 0.691 0.900 0.500 CB 0.817 31 residues pruned to eliminate duplicates Z: 15 17.274 1.772 1.020 0.897 0.929 0.714 CB 0.994 15 residues pruned to eliminate duplicates Z: 25 10.767 1.734 0.531 0.577 0.792 0.458 CB 0.971 25 residues pruned to eliminate duplicates Z: 12 10.612 1.902 0.738 0.764 0.909 0.455 CB 0.842 12 residues pruned to eliminate duplicates Z: 26 12.193 1.766 0.567 0.678 0.840 0.480 CB 0.890 26 residues pruned to eliminate duplicates Z: 21 13.553 1.845 0.661 0.684 0.850 0.450 CB 0.983 21 residues pruned to eliminate duplicates Z: 21 12.464 1.840 0.693 0.682 0.800 0.650 CB 0.946 21 residues pruned to eliminate duplicates Z: 25 12.150 1.769 0.473 0.628 0.833 0.625 CB 1.013 25 residues pruned to eliminate duplicates Z: 25 12.800 1.797 0.715 0.627 0.792 0.292 CB 0.950 25 residues pruned to eliminate duplicates Z: 18 12.757 1.883 0.546 0.691 0.882 0.647 CB 1.012 18 residues pruned to eliminate duplicates Z: 22 14.318 1.793 0.577 0.678 0.905 0.619 CB 1.036 22 residues pruned to eliminate duplicates Z: 19 11.664 1.855 0.443 0.637 0.889 0.667 CB 1.016 19 residues pruned to eliminate duplicates Z: 26 12.398 1.762 0.646 0.656 0.800 0.400 CB 0.925 26 residues pruned to eliminate duplicates Z: 11 6.902 1.656 0.360 0.506 0.800 0.500 CB 1.204 11 residues pruned to eliminate duplicates Z: 32 14.686 1.766 0.583 0.631 0.774 0.613 CB 1.077 32 residues pruned to eliminate duplicates Z: 25 16.859 1.730 0.631 0.729 0.917 0.500 CB 1.083 25 residues pruned to eliminate duplicates Z: 27 16.914 1.786 0.793 0.733 0.885 0.500 CB 0.949 27 residues pruned to eliminate duplicates Z: 24 14.140 1.750 0.786 0.752 0.870 0.217 CB 0.866 24 residues pruned to eliminate duplicates Z: 30 17.412 1.801 0.661 0.774 0.897 0.517 CB 0.946 30 residues pruned to eliminate duplicates Z: 6 4.710 1.584 0.937 0.695 0.600 0.200 N 0.958 6 residues pruned to eliminate duplicates Z: 25 17.193 1.797 0.785 0.785 0.875 0.542 CB 0.973 26 residues pruned to eliminate duplicates Z: 17 11.600 1.574 0.699 0.776 0.875 0.375 CB 0.971 14 residues pruned to eliminate duplicates Z: 16 14.079 1.654 0.626 0.766 1.000 0.733 CB 1.067 17 residues pruned to eliminate duplicates Z: 14 14.748 1.713 0.695 0.831 1.000 0.462 CB 1.058 14 residues pruned to eliminate duplicates Z: 35 8.798 1.629 0.401 0.331 0.676 0.500 CB 1.175 35 residues pruned to eliminate duplicates Z: 6 3.100 1.570 0.421 0.574 1.000 0.800 CB 0.579 6 residues pruned to eliminate duplicates Z: 18 6.998 1.542 0.441 0.444 0.765 0.706 CB 1.057 18 residues pruned to eliminate duplicates Z: 16 7.452 1.676 0.424 0.424 0.800 0.533 CB 1.091 16 residues pruned to eliminate duplicates Z: 37 11.145 1.644 0.559 0.447 0.750 0.583 CB 1.021 37 residues pruned to eliminate duplicates Z: 23 16.662 1.778 0.609 0.620 0.909 0.682 CB 1.219 23 residues pruned to eliminate duplicates Z: 15 10.527 1.749 0.527 0.581 0.857 0.643 CB 1.137 15 residues pruned to eliminate duplicates Z: 19 9.582 1.624 0.454 0.468 0.833 0.611 CB 1.186 19 residues pruned to eliminate duplicates Z: 16 10.143 1.681 0.599 0.521 0.800 0.667 CB 1.192 16 residues pruned to eliminate duplicates Z: 22 16.222 1.762 0.740 0.602 0.857 0.524 CB 1.223 22 residues pruned to eliminate duplicates Z: 17 22.258 1.804 0.864 0.783 0.938 0.500 CB 1.376 17 residues pruned to eliminate duplicates Z: 18 20.862 1.854 0.871 0.718 0.941 0.765 CB 1.272 18 residues pruned to eliminate duplicates Z: 23 15.318 1.771 0.763 0.604 0.864 0.727 CB 1.097 23 residues pruned to eliminate duplicates Z: 22 16.143 1.788 0.727 0.614 0.857 0.619 CB 1.195 22 residues pruned to eliminate duplicates Z: 23 13.447 1.754 0.758 0.574 0.818 0.500 CB 1.058 23 residues pruned to eliminate duplicates Z: 25 18.785 1.776 0.724 0.601 0.875 0.708 CB 1.300 25 residues pruned to eliminate duplicates Z: 12 21.528 1.867 0.946 0.759 0.909 0.545 N 1.561 12 residues pruned to eliminate duplicates Z: 14 13.676 1.826 0.860 0.833 0.769 0.692 CB 1.090 14 residues pruned to eliminate duplicates Z: 17 16.590 1.807 0.939 0.768 0.812 0.562 CB 1.149 17 residues pruned to eliminate duplicates Z: 13 16.309 1.813 1.127 0.815 0.917 0.583 CB 1.013 13 residues pruned to eliminate duplicates Z: 13 18.528 1.857 1.097 0.889 0.917 0.750 CB 1.079 13 residues pruned to eliminate duplicates Z: 15 14.918 1.837 0.816 0.839 0.857 0.571 CB 1.042 15 residues pruned to eliminate duplicates Z: 14 19.920 1.792 0.974 0.913 1.000 0.769 CB 1.106 14 residues pruned to eliminate duplicates Z: 28 14.110 1.752 0.625 0.632 0.815 0.444 CB 1.034 28 residues pruned to eliminate duplicates Z: 21 19.344 1.728 0.908 0.799 0.850 0.550 CB 1.188 20 residues pruned to eliminate duplicates Z: 24 27.476 1.918 0.599 0.898 1.000 0.826 CB 1.335 24 residues pruned to eliminate duplicates Z: 25 21.544 1.883 0.496 0.902 1.000 0.917 CB 1.113 24 residues pruned to eliminate duplicates Z: 25 26.240 1.911 0.609 0.917 1.000 0.958 CB 1.230 25 residues pruned to eliminate duplicates Z: 25 20.182 1.902 0.462 0.832 1.000 0.875 CB 1.112 25 residues pruned to eliminate duplicates Z: 23 19.664 2.009 0.417 0.870 0.955 0.864 CB 1.127 23 residues pruned to eliminate duplicates Z: 24 20.707 1.978 0.427 0.902 0.957 0.913 CB 1.140 24 residues pruned to eliminate duplicates Z: 22 13.915 1.890 0.479 0.698 0.905 0.714 CB 1.003 22 residues pruned to eliminate duplicates Z: 22 14.043 1.917 0.509 0.657 0.857 0.714 CB 1.069 22 residues pruned to eliminate duplicates Z: 26 25.844 2.008 0.704 0.744 0.960 0.640 CB 1.265 26 residues pruned to eliminate duplicates Z: 26 22.129 1.989 0.593 0.840 0.840 0.600 CB 1.241 26 residues pruned to eliminate duplicates Z: 25 20.751 1.990 0.682 0.788 0.875 0.750 CB 1.123 25 residues pruned to eliminate duplicates Z: 31 21.741 1.987 0.544 0.690 0.867 0.567 CB 1.254 31 residues pruned to eliminate duplicates Z: 28 24.287 2.000 0.647 0.762 0.926 0.630 CB 1.214 28 residues pruned to eliminate duplicates Z: 24 24.228 2.002 0.631 0.887 0.957 0.826 CB 1.166 24 residues pruned to eliminate duplicates Z: 29 23.167 1.928 0.680 0.784 0.929 0.571 CB 1.134 29 residues pruned to eliminate duplicates Z: 25 20.965 2.001 0.646 0.825 0.833 0.542 CB 1.177 25 residues pruned to eliminate duplicates Z: 24 26.236 2.065 0.737 0.847 0.957 0.696 CB 1.183 24 residues pruned to eliminate duplicates Z: 25 24.361 1.936 0.795 0.826 0.958 0.667 CB 1.126 25 residues pruned to eliminate duplicates Z: 17 26.897 2.127 0.973 0.844 0.938 0.562 CB 1.272 17 residues pruned to eliminate duplicates Z: 18 22.615 2.029 1.005 0.730 0.882 0.353 CB 1.243 18 residues pruned to eliminate duplicates Z: 27 22.699 1.962 0.882 0.782 0.923 0.654 CB 1.019 27 residues pruned to eliminate duplicates Z: 25 25.999 2.086 0.741 0.751 0.917 0.625 CB 1.275 25 residues pruned to eliminate duplicates Z: 40 34.819 2.012 0.731 0.864 0.949 0.667 CB 1.237 41 residues pruned to eliminate duplicates Z: 39 33.352 1.931 0.782 0.820 0.947 0.789 CB 1.257 39 residues pruned to eliminate duplicates Z: 38 26.975 1.948 0.717 0.800 0.946 0.595 CB 1.079 38 residues pruned to eliminate duplicates Z: 37 20.176 1.906 0.687 0.671 0.778 0.500 CB 1.149 37 residues pruned to eliminate duplicates Z: 11 20.538 2.099 0.900 0.931 1.000 0.600 CB 1.138 11 residues pruned to eliminate duplicates Z: 12 12.909 2.040 0.823 0.711 0.636 0.455 CB 1.358 12 residues pruned to eliminate duplicates Z: 13 16.847 1.940 0.880 0.691 0.917 0.250 CB 1.222 13 residues pruned to eliminate duplicates Z: 17 17.107 1.907 0.839 0.879 1.000 0.688 CB 0.884 17 residues pruned to eliminate duplicates Z: 41 32.233 2.002 0.859 0.805 0.850 0.500 CB 1.234 41 residues pruned to eliminate duplicates Z: 33 26.161 1.919 0.866 0.782 0.906 0.500 CB 1.111 33 residues pruned to eliminate duplicates Z: 35 31.153 2.002 0.959 0.827 0.882 0.324 CB 1.163 35 residues pruned to eliminate duplicates Z: 19 18.966 1.840 0.796 0.727 0.889 0.389 CB 1.241 19 residues pruned to eliminate duplicates Z: 39 24.744 1.972 0.615 0.718 0.842 0.395 CB 1.229 39 residues pruned to eliminate duplicates Z: 33 36.764 2.042 1.001 0.817 0.969 0.562 CB 1.247 32 residues pruned to eliminate duplicates Z: 18 27.155 1.957 1.032 0.904 1.000 0.529 CB 1.179 18 residues pruned to eliminate duplicates Z: 18 26.969 1.978 0.900 0.899 1.000 0.647 CB 1.245 18 residues pruned to eliminate duplicates Z: 8 8.209 1.722 0.557 0.756 1.000 0.714 CB 0.922 8 residues pruned to eliminate duplicates Z: 40 23.626 1.903 0.680 0.696 0.821 0.538 CB 1.206 40 residues pruned to eliminate duplicates Z: 10 9.257 1.548 0.691 0.561 1.000 0.667 CB 1.112 8 residues pruned to eliminate duplicates Z: 18 13.607 1.961 0.310 0.918 1.000 0.882 CB 0.906 18 residues pruned to eliminate duplicates Z: 16 16.607 2.036 0.450 0.868 1.000 0.867 CB 1.062 16 residues pruned to eliminate duplicates Z: 13 7.947 1.579 0.976 0.392 0.750 0.333 CB 1.100 13 residues pruned to eliminate duplicates Z: 11 13.933 1.811 0.849 0.778 1.000 1.000 CB 1.029 11 residues pruned to eliminate duplicates Z: 17 20.869 1.963 0.732 0.929 1.000 1.000 CB 1.074 20 residues pruned to eliminate duplicates Z: 18 17.834 1.962 0.709 0.923 1.000 0.824 CB 0.906 18 residues pruned to eliminate duplicates Z: 17 19.960 2.020 0.733 0.790 0.938 0.562 CB 1.179 16 residues pruned to eliminate duplicates Z: 18 17.244 1.980 0.581 0.936 1.000 0.882 CB 0.930 18 residues pruned to eliminate duplicates Z: 18 19.279 1.940 0.694 0.766 0.941 0.706 CB 1.194 17 residues pruned to eliminate duplicates Z: 18 20.432 1.903 0.696 0.926 1.000 0.824 CB 1.077 18 residues pruned to eliminate duplicates Z: 17 19.004 1.999 0.874 0.748 0.875 0.625 CB 1.161 17 residues pruned to eliminate duplicates Z: 18 15.127 1.965 0.591 0.713 0.882 0.647 CB 1.097 18 residues pruned to eliminate duplicates Z: 19 16.890 1.890 0.683 0.710 0.944 0.667 CB 1.095 19 residues pruned to eliminate duplicates Z: 22 17.087 1.927 0.509 0.695 0.905 0.714 CB 1.186 22 residues pruned to eliminate duplicates Z: 29 20.018 1.914 0.450 0.781 0.893 0.714 CB 1.192 29 residues pruned to eliminate duplicates Z: 37 29.995 1.905 0.638 0.783 0.972 0.722 CB 1.285 37 residues pruned to eliminate duplicates Z: 31 18.378 1.865 0.461 0.652 0.900 0.467 CB 1.188 31 residues pruned to eliminate duplicates Z: 29 21.202 1.958 0.569 0.730 0.857 0.679 CB 1.238 29 residues pruned to eliminate duplicates Z: 15 8.291 1.962 0.211 0.578 0.643 0.500 CB 1.346 15 residues pruned to eliminate duplicates Z: 17 16.211 1.976 0.406 0.825 0.938 0.875 CB 1.175 17 residues pruned to eliminate duplicates Z: 38 26.656 1.909 0.557 0.771 0.919 0.676 CB 1.262 38 residues pruned to eliminate duplicates Z: 34 30.746 1.985 0.619 0.833 0.970 0.727 CB 1.288 34 residues pruned to eliminate duplicates Z: 37 26.066 1.903 0.567 0.731 0.917 0.667 CB 1.291 37 residues pruned to eliminate duplicates Z: 25 20.042 1.862 0.544 0.687 0.917 0.667 CB 1.308 25 residues pruned to eliminate duplicates Z: 21 21.332 1.949 0.618 0.738 0.900 0.700 CB 1.357 21 residues pruned to eliminate duplicates Z: 23 21.891 1.857 0.611 0.745 0.955 0.591 CB 1.313 23 residues pruned to eliminate duplicates Z: 34 24.219 1.838 0.691 0.662 0.939 0.697 CB 1.242 34 residues pruned to eliminate duplicates Z: 22 19.252 1.897 0.569 0.757 0.857 0.667 CB 1.310 22 residues pruned to eliminate duplicates Z: 22 20.992 1.866 0.611 0.784 0.952 0.810 CB 1.246 22 residues pruned to eliminate duplicates Z: 18 20.192 1.954 0.637 0.672 0.941 0.529 CB 1.388 18 residues pruned to eliminate duplicates Z: 38 16.126 1.927 0.369 0.594 0.757 0.541 CB 1.214 38 residues pruned to eliminate duplicates Z: 33 15.197 1.809 0.538 0.566 0.781 0.500 CB 1.159 33 residues pruned to eliminate duplicates Z: 28 14.480 1.868 0.512 0.522 0.889 0.667 CB 1.086 28 residues pruned to eliminate duplicates Z: 24 14.251 1.872 0.373 0.524 0.870 0.609 CB 1.298 24 residues pruned to eliminate duplicates Z: 24 15.375 1.888 0.472 0.580 0.870 0.391 CB 1.228 24 residues pruned to eliminate duplicates Z: 20 7.107 1.706 0.334 0.368 0.895 0.579 CB 0.923 11 residues pruned to eliminate duplicates Z: 13 6.613 1.815 0.223 0.706 0.917 0.750 CB 0.778 13 residues pruned to eliminate duplicates Z: 15 6.062 1.843 0.247 0.385 0.857 0.571 CB 0.929 15 residues pruned to eliminate duplicates Z: 24 14.714 1.927 0.488 0.629 0.913 0.652 CB 1.038 24 residues pruned to eliminate duplicates Z: 11 14.954 2.005 0.632 0.792 1.000 0.900 CB 1.118 11 residues pruned to eliminate duplicates Z: 10 11.640 1.964 0.823 0.765 0.889 0.778 CB 0.964 10 residues pruned to eliminate duplicates Z: 29 12.093 1.764 0.486 0.568 0.857 0.536 CB 0.953 29 residues pruned to eliminate duplicates Z: 25 20.062 1.931 0.537 0.737 0.958 0.750 CB 1.164 25 residues pruned to eliminate duplicates Z: 30 19.911 1.875 0.692 0.701 0.897 0.621 CB 1.083 30 residues pruned to eliminate duplicates Z: 21 22.003 1.993 0.738 0.880 0.950 0.700 CB 1.084 21 residues pruned to eliminate duplicates Z: 16 24.272 2.050 1.000 0.859 0.867 0.867 CB 1.298 16 residues pruned to eliminate duplicates Z: 18 20.845 2.000 0.812 0.775 0.882 0.706 CB 1.240 18 residues pruned to eliminate duplicates Z: 17 28.811 2.079 1.014 0.748 0.938 0.562 CB 1.471 17 residues pruned to eliminate duplicates Z: 16 28.213 2.060 0.816 0.836 0.933 0.733 CB 1.561 28 residues pruned to eliminate duplicates Z: 21 29.162 1.975 1.124 0.907 0.950 0.750 CB 1.163 18 residues pruned to eliminate duplicates Z: 20 30.312 1.981 1.157 0.907 1.000 0.842 CB 1.157 20 residues pruned to eliminate duplicates Z: 27 22.865 1.952 0.795 0.781 0.962 0.846 CB 1.039 20 residues pruned to eliminate duplicates Z: 20 26.527 2.019 0.992 0.907 0.947 0.737 CB 1.135 20 residues pruned to eliminate duplicates Z: 7 7.550 1.835 0.808 0.717 1.000 0.667 CB 0.764 7 residues pruned to eliminate duplicates Z: 20 22.278 1.927 0.865 0.723 0.842 0.632 CB 1.380 20 residues pruned to eliminate duplicates Z: 25 24.056 1.955 0.886 0.777 0.958 0.625 CB 1.089 25 residues pruned to eliminate duplicates Z: 16 27.418 2.057 1.047 0.856 0.933 0.733 CB 1.328 16 residues pruned to eliminate duplicates Z: 25 19.900 1.912 0.783 0.690 0.917 0.542 CB 1.092 25 residues pruned to eliminate duplicates Z: 36 12.193 1.768 0.697 0.440 0.743 0.486 CB 0.983 35 residues pruned to eliminate duplicates Z: 15 13.138 1.853 0.252 0.813 0.929 0.643 CB 1.240 15 residues pruned to eliminate duplicates Z: 13 14.457 1.988 0.148 0.884 1.000 0.667 CB 1.321 13 residues pruned to eliminate duplicates Z: 21 11.471 1.867 0.313 0.579 0.850 0.600 CB 1.141 21 residues pruned to eliminate duplicates Z: 33 24.309 1.947 0.540 0.739 0.906 0.625 CB 1.277 33 residues pruned to eliminate duplicates Z: 16 12.727 1.915 0.278 0.700 0.867 0.600 CB 1.290 16 residues pruned to eliminate duplicates Z: 31 14.934 1.875 0.162 0.660 0.900 0.633 CB 1.199 31 residues pruned to eliminate duplicates Z: 16 14.673 1.903 0.282 0.857 0.933 0.800 CB 1.227 16 residues pruned to eliminate duplicates Z: 34 26.982 1.950 0.736 0.734 0.909 0.727 CB 1.236 34 residues pruned to eliminate duplicates Z: 11 14.746 1.975 0.428 0.905 0.900 0.800 CB 1.307 11 residues pruned to eliminate duplicates Z: 9 8.883 1.885 0.126 0.711 1.000 0.875 CB 1.222 9 residues pruned to eliminate duplicates Z: 13 14.527 1.894 0.426 0.814 0.917 0.667 CB 1.289 13 residues pruned to eliminate duplicates Z: 36 26.821 1.923 0.572 0.779 0.914 0.714 CB 1.283 36 residues pruned to eliminate duplicates Z: 17 14.894 1.816 0.407 0.746 0.938 0.750 CB 1.248 17 residues pruned to eliminate duplicates Z: 18 12.531 1.812 0.469 0.688 0.882 0.588 CB 1.089 18 residues pruned to eliminate duplicates Z: 30 21.305 1.890 0.489 0.693 0.931 0.586 CB 1.266 30 residues pruned to eliminate duplicates Z: 43 27.440 1.921 0.768 0.732 0.905 0.667 CB 1.118 58 residues pruned to eliminate duplicates Z: 12 8.699 1.867 0.478 0.631 0.727 0.364 CB 1.155 12 residues pruned to eliminate duplicates Z: 34 19.015 1.834 0.523 0.657 0.909 0.576 CB 1.127 34 residues pruned to eliminate duplicates Z: 13 8.390 1.797 0.526 0.693 0.750 0.667 CB 0.987 13 residues pruned to eliminate duplicates Z: 14 5.707 1.672 0.332 0.494 0.769 0.538 CB 0.930 14 residues pruned to eliminate duplicates Z: 17 12.664 1.798 0.573 0.556 0.938 0.500 CB 1.131 17 residues pruned to eliminate duplicates Z: 42 16.942 1.735 0.707 0.539 0.780 0.366 CB 1.102 42 residues pruned to eliminate duplicates Z: 35 18.092 1.823 0.476 0.594 0.824 0.647 CB 1.280 35 residues pruned to eliminate duplicates Z: 9 9.574 1.773 0.807 0.671 0.750 0.625 CB 1.203 9 residues pruned to eliminate duplicates Z: 64 28.337 1.846 0.619 0.671 0.905 0.651 CB 1.127 64 residues pruned to eliminate duplicates Z: 14 13.232 1.774 0.562 0.769 0.846 0.692 CB 1.233 14 residues pruned to eliminate duplicates Z: 11 18.039 1.754 0.897 0.862 1.000 0.600 CB 1.259 10 residues pruned to eliminate duplicates Z: 17 22.465 1.858 0.930 0.851 1.000 0.875 CB 1.159 17 residues pruned to eliminate duplicates Z: 17 20.721 1.834 0.663 0.837 0.938 0.812 CB 1.354 16 residues pruned to eliminate duplicates Z: 17 24.676 1.815 0.704 0.916 1.000 0.938 CB 1.409 17 residues pruned to eliminate duplicates Z: 11 16.762 1.783 0.754 0.869 1.000 0.700 CB 1.239 11 residues pruned to eliminate duplicates Z: 17 12.457 1.773 0.438 0.508 0.875 0.438 CB 1.385 17 residues pruned to eliminate duplicates Z: 13 6.389 1.739 0.555 0.562 0.833 0.750 CB 0.770 13 residues pruned to eliminate duplicates Z: 8 8.269 1.759 0.753 0.858 1.000 0.714 CB 0.746 8 residues pruned to eliminate duplicates Z: 8 6.407 1.609 0.954 0.757 0.857 0.857 CB 0.715 8 residues pruned to eliminate duplicates Z: 7 7.453 1.612 0.747 0.861 0.833 0.667 CB 0.953 7 residues pruned to eliminate duplicates Z: 11 7.307 1.745 0.685 0.627 1.000 0.900 CB 0.697 11 residues pruned to eliminate duplicates Z: 17 13.031 1.804 0.827 0.804 0.938 0.625 CB 0.808 17 residues pruned to eliminate duplicates Z: 16 18.523 1.786 1.141 0.862 0.933 0.600 CB 0.984 16 residues pruned to eliminate duplicates Z: 16 20.579 1.831 1.182 0.913 1.000 0.667 CB 0.941 16 residues pruned to eliminate duplicates Z: 14 10.607 1.840 1.027 0.876 0.923 0.385 CB 0.621 14 residues pruned to eliminate duplicates Z: 13 11.660 1.790 0.949 0.630 0.833 0.500 CB 1.025 13 residues pruned to eliminate duplicates Z: 16 9.481 1.572 0.977 0.396 0.800 0.533 CB 1.099 8 residues pruned to eliminate duplicates Z: 14 14.104 1.802 0.901 0.877 0.923 0.538 CB 0.899 14 residues pruned to eliminate duplicates Z: 22 13.572 1.765 0.748 0.598 0.810 0.571 CB 1.080 31 residues pruned to eliminate duplicates Z: 14 16.210 1.773 1.087 0.865 1.000 0.308 CB 0.890 14 residues pruned to eliminate duplicates Z: 18 10.949 1.691 0.962 0.741 0.824 0.353 CB 0.783 18 residues pruned to eliminate duplicates Z: 21 11.548 1.711 0.613 0.503 0.800 0.450 CB 1.166 21 residues pruned to eliminate duplicates Z: 17 6.013 1.702 0.619 0.550 0.625 0.375 CB 0.831 17 residues pruned to eliminate duplicates Z: 7 2.494 1.554 -0.013 0.449 0.667 0.333 N 1.049 Z: 14 12.267 1.609 0.496 0.706 0.923 0.385 CB 1.270 21 residues pruned to eliminate duplicates Z: 11 13.253 1.746 0.548 0.725 0.900 0.700 N 1.406 11 residues pruned to eliminate duplicates Z: 12 16.893 1.702 0.735 0.778 1.000 0.636 N 1.349 12 residues pruned to eliminate duplicates Z: 9 11.394 1.759 0.693 0.650 0.875 0.750 CB 1.344 9 residues pruned to eliminate duplicates Z: 10 9.370 1.713 0.737 0.587 0.778 0.556 CB 1.241 10 residues pruned to eliminate duplicates Z: 20 13.903 1.745 0.671 0.627 0.895 0.474 CB 1.084 20 residues pruned to eliminate duplicates Z: 9 12.243 1.761 0.809 0.649 1.000 0.625 CB 1.183 9 residues pruned to eliminate duplicates Z: 12 10.906 1.646 0.536 0.574 1.000 0.545 CB 1.210 12 residues pruned to eliminate duplicates Z: 13 19.125 1.730 0.926 0.824 0.917 0.750 CB 1.365 13 residues pruned to eliminate duplicates Z: 14 17.351 1.663 0.984 0.767 0.923 0.462 CB 1.247 14 residues pruned to eliminate duplicates Z: 33 21.057 1.673 0.843 0.711 0.938 0.625 CB 1.063 33 residues pruned to eliminate duplicates Z: 25 16.983 1.699 0.653 0.672 0.875 0.458 CB 1.203 25 residues pruned to eliminate duplicates Z: 15 18.865 1.662 0.783 0.798 1.000 0.571 CB 1.311 15 residues pruned to eliminate duplicates Z: 6 2.700 1.387 1.141 0.402 0.600 0.400 O 0.752 6 residues pruned to eliminate duplicates Z: 16 13.699 1.671 0.637 0.720 0.933 0.467 CB 1.135 16 residues pruned to eliminate duplicates Z: 15 15.477 1.635 1.016 0.755 0.929 0.571 CB 1.077 15 residues pruned to eliminate duplicates 802 residues left after pruning, divided into chains as follows: A: 40 B: 42 C: 41 D: 40 E: 99 F: 54 G: 17 H: 102 I: 41 J: 94 K: 59 L: 43 M: 37 N: 60 O: 33 CC for partial structure against native data = 42.10 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.650, Connect. = 0.723 for dens.mod. cycle 1 = 0.302, Contrast = 0.733, Connect. = 0.750 for dens.mod. cycle 2 = 0.302, Contrast = 0.874, Connect. = 0.774 for dens.mod. cycle 3 = 0.302, Contrast = 0.882, Connect. = 0.774 for dens.mod. cycle 4 = 0.302, Contrast = 0.894, Connect. = 0.774 for dens.mod. cycle 5 = 0.302, Contrast = 0.892, Connect. = 0.775 for dens.mod. cycle 6 = 0.302, Contrast = 0.894, Connect. = 0.775 for dens.mod. cycle 7 = 0.302, Contrast = 0.891, Connect. = 0.776 for dens.mod. cycle 8 = 0.302, Contrast = 0.891, Connect. = 0.777 for dens.mod. cycle 9 = 0.302, Contrast = 0.887, Connect. = 0.776 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 5.53 - 4.38 - 3.82 - 3.46 - 3.21 - 3.02 - 2.87 - 2.74 - 2.64 - 2.55 0.766 0.770 0.795 0.774 0.721 0.663 0.622 0.575 0.501 0.458 0.892 0.883 0.900 0.892 0.848 0.781 0.736 0.674 0.592 0.531 N 4780 4771 4793 4883 4806 4810 4691 5018 4494 4669 Estimated mean FOM = 0.666 Pseudo-free CC = 69.09 % Best trace (cycle 2 with CC 44.85%) was saved as ./2hr2-2.5-parrot-hancs/2hr2-2.5-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.4 - Setup, data input and phasing 5.7 - FFTs and peak-searches 13.1 - Sphere of influence 0.5 - Rest of density modification 0.0 - Alpha-helix search 619.7 - Tripeptide search 8094.2 - Chain tracing 0.0 - NCS analysis 67.6 - B-value refinement for trace 0.2 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 18:40:48 Total time: 8801.57 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 147.61 Used memory is bytes: 19965736