null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 21:11:05 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-mrncs/2hr2-2.5-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2hr2-2.5-parrot-mrncs/2hr2-2.5-parrot-mrncs.ins Phases from ./2hr2-2.5-parrot-mrncs/2hr2-2.5-parrot-mrncs.phi Native data from ./2hr2-2.5-parrot-mrncs/2hr2-2.5-parrot-mrncs.hkl Listing output to ./2hr2-2.5-parrot-mrncs/2hr2-2.5-parrot-mrncs.lst Phases output to ./2hr2-2.5-parrot-mrncs/2hr2-2.5-parrot-mrncs.phs Poly-Ala trace output to ./2hr2-2.5-parrot-mrncs/2hr2-2.5-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 47715 Reflections read from file ./2hr2-2.5-parrot-mrncs/2hr2-2.5-parrot-mrncs.phi 47715 Reflections read from file ./2hr2-2.5-parrot-mrncs/2hr2-2.5-parrot-mrncs.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 = 0.600, Connect. = 0.706 for dens.mod. cycle 1 = 0.300, Contrast = 0.691, Connect. = 0.714 for dens.mod. cycle 2 = 0.300, Contrast = 0.850, Connect. = 0.741 for dens.mod. cycle 3 = 0.300, Contrast = 0.895, Connect. = 0.754 for dens.mod. cycle 4 = 0.300, Contrast = 0.914, Connect. = 0.762 for dens.mod. cycle 5 = 0.300, Contrast = 0.923, Connect. = 0.767 for dens.mod. cycle 6 = 0.300, Contrast = 0.927, Connect. = 0.770 for dens.mod. cycle 7 = 0.300, Contrast = 0.928, Connect. = 0.773 for dens.mod. cycle 8 = 0.300, Contrast = 0.926, Connect. = 0.774 for dens.mod. cycle 9 = 0.300, Contrast = 0.924, Connect. = 0.775 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2716 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: 23 33.633 1.967 1.154 0.933 1.000 0.818 CB 1.181 B: 26 28.509 1.883 0.924 0.902 0.920 0.640 CB 1.220 C: 19 27.291 1.999 1.173 0.927 1.000 0.722 CB 1.038 D: 27 30.593 1.849 1.126 0.881 0.962 0.615 CB 1.149 26 residues pruned to eliminate duplicates E: 18 28.515 2.014 0.802 0.838 0.941 0.824 CB 1.513 F: 20 32.854 1.944 0.960 0.909 0.947 0.737 CB 1.483 G: 23 28.148 1.804 0.821 0.911 1.000 0.955 CB 1.295 H: 23 30.401 1.831 1.142 0.922 1.000 0.773 CB 1.163 22 residues pruned to eliminate duplicates I: 20 32.633 1.991 1.207 0.915 0.947 0.789 CB 1.271 J: 19 22.872 1.972 1.009 0.941 1.000 0.778 CB 0.944 K: 23 25.683 1.892 0.778 0.903 0.909 0.818 CB 1.276 23 residues pruned to eliminate duplicates L: 24 29.715 1.935 0.814 0.930 1.000 0.957 CB 1.235 23 residues pruned to eliminate duplicates M: 25 29.433 1.867 0.772 0.918 1.000 0.917 CB 1.281 25 residues pruned to eliminate duplicates N: 20 28.225 1.873 1.113 0.923 1.000 0.842 CB 1.149 O: 23 30.725 1.910 0.953 0.829 0.955 0.727 CB 1.385 21 residues pruned to eliminate duplicates P: 14 17.713 1.741 0.938 0.893 1.000 0.769 CB 1.045 Q: 19 38.339 2.055 0.955 0.920 1.000 0.833 CB 1.584 18 residues pruned to eliminate duplicates R: 21 28.371 1.906 0.614 0.878 1.000 0.650 CB 1.496 21 residues pruned to eliminate duplicates S: 19 33.358 2.027 0.848 0.873 1.000 0.778 CB 1.528 19 residues pruned to eliminate duplicates T: 25 34.209 1.884 0.832 0.928 1.000 0.875 CB 1.416 28 residues pruned to eliminate duplicates U: 17 26.070 1.806 0.791 0.876 1.000 0.812 CB 1.464 V: 23 33.048 1.962 0.877 0.921 1.000 1.000 CB 1.347 23 residues pruned to eliminate duplicates W: 19 23.525 1.731 0.710 0.891 0.944 0.889 CB 1.426 14 residues pruned to eliminate duplicates X: 21 25.108 1.790 0.607 0.925 1.000 0.900 CB 1.369 Y: 19 21.693 1.991 0.838 0.927 1.000 0.778 CB 0.979 19 residues pruned to eliminate duplicates Z: 19 35.259 2.044 0.875 0.916 1.000 0.889 CB 1.531 19 residues pruned to eliminate duplicates Z: 22 32.175 1.949 1.104 0.874 0.905 0.714 CB 1.378 22 residues pruned to eliminate duplicates Z: 22 23.269 1.804 0.903 0.904 1.000 0.714 CB 1.054 Z: 21 25.067 1.893 0.943 0.896 0.900 0.550 CB 1.213 Z: 18 28.171 1.799 0.817 0.929 1.000 0.882 CB 1.462 19 residues pruned to eliminate duplicates Z: 23 29.379 1.960 0.788 0.934 0.955 0.909 CB 1.306 23 residues pruned to eliminate duplicates Z: 25 28.603 1.868 1.122 0.919 0.958 0.750 CB 1.083 25 residues pruned to eliminate duplicates Z: 20 32.612 1.833 0.944 0.924 1.000 0.947 CB 1.474 Z: 21 31.007 1.855 0.667 0.943 1.000 1.000 CB 1.553 Z: 22 32.593 1.920 1.047 0.948 1.000 0.810 CB 1.249 Z: 24 28.952 1.873 0.899 0.928 1.000 0.913 CB 1.189 23 residues pruned to eliminate duplicates Z: 17 18.301 1.681 0.674 0.880 0.938 0.812 CB 1.257 Z: 15 20.991 1.883 0.452 0.882 1.000 0.857 CB 1.484 Z: 16 22.922 1.930 0.956 0.928 0.933 0.867 CB 1.176 Z: 21 31.254 1.902 1.243 0.912 0.950 0.750 CB 1.221 16 residues pruned to eliminate duplicates Z: 22 31.421 1.946 0.877 0.882 1.000 0.810 CB 1.358 21 residues pruned to eliminate duplicates Z: 20 24.697 1.849 0.583 0.933 1.000 1.000 CB 1.350 Z: 17 21.595 1.825 0.716 0.876 1.000 0.750 CB 1.252 17 residues pruned to eliminate duplicates Z: 22 25.130 1.915 0.827 0.929 0.905 0.571 CB 1.212 Z: 18 26.850 1.878 0.800 0.915 1.000 0.941 CB 1.361 Z: 19 19.829 1.779 0.752 0.904 0.889 0.778 CB 1.201 Z: 23 30.221 1.813 1.057 0.905 1.000 0.455 CB 1.230 Z: 16 21.640 1.942 0.523 0.838 0.933 0.733 CB 1.512 16 residues pruned to eliminate duplicates Z: 19 28.407 1.924 0.930 0.936 1.000 0.944 CB 1.256 19 residues pruned to eliminate duplicates Z: 27 30.813 1.891 1.151 0.849 0.962 0.654 CB 1.145 24 residues pruned to eliminate duplicates Z: 21 26.421 1.829 0.678 0.938 0.950 0.850 CB 1.409 21 residues pruned to eliminate duplicates Z: 24 31.426 1.913 0.893 0.955 1.000 0.913 CB 1.243 24 residues pruned to eliminate duplicates Z: 17 20.362 1.843 0.532 0.897 0.938 0.812 CB 1.377 17 residues pruned to eliminate duplicates Z: 25 32.844 1.911 0.869 0.925 0.958 0.833 CB 1.374 27 residues pruned to eliminate duplicates Z: 20 29.337 1.947 1.051 0.910 0.947 0.789 CB 1.262 20 residues pruned to eliminate duplicates Z: 25 31.127 1.903 0.966 0.913 0.917 0.708 CB 1.311 25 residues pruned to eliminate duplicates Z: 15 22.534 1.802 0.828 0.864 0.929 0.714 CB 1.444 Z: 17 22.860 1.878 0.582 0.920 1.000 1.000 CB 1.355 17 residues pruned to eliminate duplicates Z: 22 28.189 1.925 0.831 0.926 0.952 0.762 CB 1.285 22 residues pruned to eliminate duplicates Z: 17 17.319 1.693 0.682 0.822 0.875 0.688 O 1.314 17 residues pruned to eliminate duplicates Z: 22 30.293 1.861 0.803 0.839 1.000 0.810 CB 1.472 22 residues pruned to eliminate duplicates Z: 25 35.399 1.925 1.023 0.942 0.958 0.833 CB 1.343 25 residues pruned to eliminate duplicates Z: 16 18.246 1.829 0.932 0.933 1.000 0.867 CB 0.930 Z: 26 28.703 1.786 1.135 0.866 0.960 0.800 CB 1.148 24 residues pruned to eliminate duplicates Z: 21 28.652 1.901 0.835 0.924 0.950 0.900 CB 1.358 21 residues pruned to eliminate duplicates Z: 22 29.657 1.974 0.835 0.943 1.000 0.857 CB 1.238 22 residues pruned to eliminate duplicates Z: 17 19.886 1.796 0.552 0.915 1.000 0.750 CB 1.260 17 residues pruned to eliminate duplicates Z: 21 27.224 1.913 0.634 0.891 0.950 0.850 CB 1.474 21 residues pruned to eliminate duplicates Z: 20 32.067 1.999 1.310 0.893 0.947 0.684 CB 1.208 20 residues pruned to eliminate duplicates Z: 18 32.403 1.817 0.910 0.924 1.000 1.000 CB 1.589 18 residues pruned to eliminate duplicates Z: 20 34.067 1.958 0.913 0.935 1.000 0.947 CB 1.455 20 residues pruned to eliminate duplicates Z: 21 28.107 1.884 1.021 0.895 0.950 0.650 CB 1.246 21 residues pruned to eliminate duplicates Z: 21 29.694 1.933 0.938 0.913 0.950 0.850 CB 1.320 21 residues pruned to eliminate duplicates Z: 22 27.279 1.836 1.002 0.898 0.905 0.762 CB 1.280 22 residues pruned to eliminate duplicates Z: 16 23.210 1.780 0.968 0.893 0.933 0.867 CB 1.316 Z: 20 22.312 1.919 1.140 0.927 0.947 0.684 CB 0.922 19 residues pruned to eliminate duplicates Z: 16 18.169 1.849 0.980 0.944 1.000 0.933 CB 0.888 16 residues pruned to eliminate duplicates Z: 20 32.061 1.936 1.089 0.935 0.947 0.684 CB 1.338 20 residues pruned to eliminate duplicates Z: 20 24.588 1.930 0.792 0.899 0.947 0.947 CB 1.231 20 residues pruned to eliminate duplicates Z: 18 25.624 1.835 0.808 0.933 1.000 1.000 CB 1.307 Z: 20 26.338 1.844 1.191 0.941 1.000 0.842 CB 1.038 20 residues pruned to eliminate duplicates Z: 18 17.279 1.729 0.498 0.863 0.941 0.824 CB 1.262 17 residues pruned to eliminate duplicates Z: 22 28.334 1.812 0.934 0.896 0.952 0.810 CB 1.327 22 residues pruned to eliminate duplicates Z: 22 18.465 1.802 0.997 0.889 0.905 0.714 CB 0.891 22 residues pruned to eliminate duplicates Z: 18 23.547 1.900 0.537 0.931 1.000 1.000 CB 1.366 Z: 20 30.962 1.938 0.915 0.899 0.947 0.842 CB 1.444 20 residues pruned to eliminate duplicates Z: 24 28.196 1.859 1.019 0.938 0.957 0.783 CB 1.139 24 residues pruned to eliminate duplicates Z: 23 28.981 1.923 0.814 0.919 0.955 0.909 CB 1.308 24 residues pruned to eliminate duplicates Z: 19 25.237 1.727 0.938 0.917 1.000 1.000 CB 1.254 Z: 21 28.814 1.933 1.115 0.946 1.000 0.800 CB 1.090 20 residues pruned to eliminate duplicates Z: 20 21.748 1.849 0.826 0.916 0.947 0.842 CB 1.101 Z: 16 24.272 1.832 0.711 0.892 1.000 0.800 CB 1.436 14 residues pruned to eliminate duplicates Z: 22 35.001 1.975 1.044 0.944 1.000 1.000 CB 1.310 22 residues pruned to eliminate duplicates Z: 23 29.866 1.843 0.848 0.887 1.000 0.727 CB 1.348 23 residues pruned to eliminate duplicates Z: 19 30.507 1.904 0.802 0.920 1.000 0.889 CB 1.476 19 residues pruned to eliminate duplicates Z: 24 34.568 1.872 1.136 0.938 1.000 0.696 CB 1.254 24 residues pruned to eliminate duplicates Z: 9 10.791 1.803 0.469 0.876 1.000 0.875 CB 1.047 Z: 22 24.072 1.876 0.692 0.906 0.952 0.857 CB 1.235 22 residues pruned to eliminate duplicates Z: 16 20.927 1.888 0.351 0.918 1.000 1.000 CB 1.494 16 residues pruned to eliminate duplicates Z: 19 17.686 1.566 0.551 0.919 1.000 0.944 O 1.209 Z: 19 30.477 1.911 0.795 0.912 1.000 0.889 CB 1.483 20 residues pruned to eliminate duplicates Z: 18 19.378 1.935 1.127 0.919 1.000 0.588 CB 0.805 18 residues pruned to eliminate duplicates Z: 18 25.783 1.859 0.617 0.946 1.000 0.941 CB 1.440 18 residues pruned to eliminate duplicates Z: 20 27.379 1.875 1.058 0.934 0.947 0.947 CB 1.199 20 residues pruned to eliminate duplicates Z: 17 21.955 1.808 0.585 0.898 1.000 0.875 CB 1.370 18 residues pruned to eliminate duplicates Z: 22 29.102 1.935 1.081 0.886 0.905 0.762 CB 1.258 22 residues pruned to eliminate duplicates Z: 24 29.197 1.830 1.030 0.886 1.000 0.565 CB 1.182 22 residues pruned to eliminate duplicates Z: 24 30.975 1.840 1.170 0.924 0.957 0.609 CB 1.187 24 residues pruned to eliminate duplicates Z: 18 21.869 1.974 0.513 0.929 1.000 1.000 CB 1.243 18 residues pruned to eliminate duplicates Z: 21 24.510 1.934 1.041 0.930 0.950 0.800 CB 1.022 21 residues pruned to eliminate duplicates Z: 20 23.481 1.852 0.940 0.938 1.000 0.842 CB 1.042 21 residues pruned to eliminate duplicates Z: 6 3.089 1.686 0.019 0.376 0.800 0.400 CB 1.147 Z: 20 33.544 1.931 1.163 0.910 0.947 0.421 CB 1.380 20 residues pruned to eliminate duplicates Z: 23 33.335 1.842 1.056 0.917 0.955 0.682 CB 1.387 22 residues pruned to eliminate duplicates Z: 18 25.882 1.739 0.932 0.812 0.941 0.765 O 1.514 18 residues pruned to eliminate duplicates Z: 23 25.179 1.933 0.639 0.939 0.909 0.591 CB 1.296 23 residues pruned to eliminate duplicates Z: 17 28.536 1.817 0.774 0.923 1.000 0.938 CB 1.555 17 residues pruned to eliminate duplicates Z: 20 30.563 1.865 0.928 0.922 1.000 0.842 CB 1.371 20 residues pruned to eliminate duplicates Z: 14 29.622 2.006 0.753 0.922 1.000 0.923 CB 1.644 14 residues pruned to eliminate duplicates Z: 20 23.101 1.819 1.057 0.920 1.000 0.737 CB 0.997 Z: 23 28.969 1.889 0.931 0.937 1.000 0.818 CB 1.178 23 residues pruned to eliminate duplicates Z: 19 21.575 1.859 0.489 0.930 1.000 0.889 CB 1.285 19 residues pruned to eliminate duplicates Z: 17 22.974 1.880 0.549 0.906 1.000 0.938 CB 1.403 17 residues pruned to eliminate duplicates Z: 19 20.174 1.823 0.463 0.909 1.000 0.889 CB 1.265 19 residues pruned to eliminate duplicates Z: 20 23.900 1.697 0.919 0.878 1.000 0.737 CB 1.221 19 residues pruned to eliminate duplicates Z: 18 21.746 1.661 0.642 0.909 1.000 0.941 O 1.373 19 residues pruned to eliminate duplicates Z: 18 18.594 1.610 0.621 0.865 1.000 0.765 O 1.266 18 residues pruned to eliminate duplicates Z: 18 22.079 1.733 0.659 0.903 1.000 0.882 CB 1.328 18 residues pruned to eliminate duplicates Z: 19 31.262 2.037 0.801 0.884 1.000 0.667 CB 1.450 19 residues pruned to eliminate duplicates Z: 19 27.431 1.699 0.862 0.909 1.000 0.944 CA 1.450 17 residues pruned to eliminate duplicates Z: 16 20.284 1.978 0.519 0.697 0.933 0.600 CB 1.560 16 residues pruned to eliminate duplicates Z: 22 30.654 1.975 0.777 0.892 0.952 0.810 CB 1.437 22 residues pruned to eliminate duplicates Z: 19 24.869 1.814 0.731 0.894 1.000 0.889 CB 1.339 16 residues pruned to eliminate duplicates Z: 23 31.375 1.945 0.888 0.942 1.000 0.955 CB 1.263 23 residues pruned to eliminate duplicates Z: 15 26.942 1.799 1.235 0.894 0.929 0.786 CB 1.384 13 residues pruned to eliminate duplicates Z: 16 24.529 1.844 0.868 0.921 0.933 0.933 CB 1.386 16 residues pruned to eliminate duplicates Z: 25 28.467 1.816 0.866 0.890 1.000 0.792 CB 1.234 25 residues pruned to eliminate duplicates Z: 23 26.525 1.874 0.891 0.919 1.000 0.909 CB 1.125 23 residues pruned to eliminate duplicates Z: 21 30.969 1.906 1.027 0.937 0.950 0.850 CB 1.313 21 residues pruned to eliminate duplicates Z: 19 26.384 1.778 0.940 0.885 1.000 0.889 CB 1.302 18 residues pruned to eliminate duplicates Z: 20 22.839 1.893 1.168 0.951 1.000 1.000 CB 0.880 19 residues pruned to eliminate duplicates Z: 19 25.305 1.912 0.653 0.919 1.000 0.944 CB 1.330 19 residues pruned to eliminate duplicates Z: 20 24.695 1.919 0.708 0.933 1.000 0.895 CB 1.207 20 residues pruned to eliminate duplicates Z: 21 22.362 1.777 0.551 0.898 1.000 0.850 CB 1.298 21 residues pruned to eliminate duplicates Z: 18 27.327 1.835 0.861 0.898 1.000 0.882 CB 1.388 Z: 24 22.765 1.896 0.632 0.905 0.957 0.957 CB 1.141 24 residues pruned to eliminate duplicates Z: 21 27.119 1.910 1.020 0.896 1.000 0.800 CB 1.126 21 residues pruned to eliminate duplicates Z: 17 22.714 1.737 0.664 0.931 1.000 1.000 CB 1.373 18 residues pruned to eliminate duplicates Z: 19 29.430 1.896 0.776 0.927 1.000 0.944 CB 1.444 19 residues pruned to eliminate duplicates Z: 19 33.491 1.954 0.897 0.945 1.000 0.889 CB 1.473 21 residues pruned to eliminate duplicates Z: 16 25.733 1.783 0.875 0.899 1.000 0.800 CB 1.419 15 residues pruned to eliminate duplicates Z: 16 33.762 1.919 0.864 0.937 1.000 1.000 O 1.695 19 residues pruned to eliminate duplicates Z: 21 29.198 1.811 0.923 0.924 0.950 0.850 CB 1.387 21 residues pruned to eliminate duplicates Z: 20 22.606 1.912 0.871 0.912 1.000 0.842 CB 1.026 19 residues pruned to eliminate duplicates Z: 22 29.668 1.986 0.871 0.887 0.905 0.810 CB 1.388 22 residues pruned to eliminate duplicates Z: 24 31.943 1.887 0.986 0.904 1.000 0.739 CB 1.266 24 residues pruned to eliminate duplicates Z: 17 31.367 1.833 0.899 0.898 1.000 0.812 CB 1.611 16 residues pruned to eliminate duplicates Z: 22 20.263 1.815 0.761 0.845 0.952 0.810 CB 1.080 22 residues pruned to eliminate duplicates Z: 22 26.704 1.936 0.717 0.918 1.000 0.667 CB 1.236 22 residues pruned to eliminate duplicates Z: 16 25.306 1.874 0.647 0.930 1.000 0.933 CB 1.480 16 residues pruned to eliminate duplicates Z: 18 24.088 1.954 0.611 0.912 1.000 0.941 CB 1.315 18 residues pruned to eliminate duplicates Z: 23 23.317 1.846 0.824 0.888 0.955 0.591 CB 1.114 23 residues pruned to eliminate duplicates Z: 19 18.644 1.756 0.632 0.855 0.889 0.500 CB 1.273 19 residues pruned to eliminate duplicates Z: 18 24.030 1.886 0.637 0.885 1.000 0.765 CB 1.363 19 residues pruned to eliminate duplicates Z: 18 18.069 1.836 0.457 0.892 1.000 0.706 CB 1.177 Z: 21 30.371 1.899 0.908 0.933 0.950 0.900 CB 1.376 21 residues pruned to eliminate duplicates Z: 23 32.867 1.891 0.872 0.907 1.000 0.773 CB 1.407 23 residues pruned to eliminate duplicates Z: 22 35.598 1.865 1.279 0.934 0.952 0.524 CB 1.338 21 residues pruned to eliminate duplicates Z: 22 31.791 1.847 1.098 0.906 1.000 0.619 CB 1.273 22 residues pruned to eliminate duplicates Z: 19 24.209 1.553 1.039 0.907 1.000 0.833 CB 1.280 19 residues pruned to eliminate duplicates Z: 15 22.335 1.815 0.681 0.813 1.000 0.714 O 1.490 15 residues pruned to eliminate duplicates Z: 15 28.293 1.961 0.891 0.925 1.000 0.857 CB 1.430 15 residues pruned to eliminate duplicates Z: 16 23.285 1.858 0.664 0.831 1.000 0.667 CB 1.461 16 residues pruned to eliminate duplicates Z: 23 27.986 1.862 0.728 0.906 1.000 0.909 CB 1.318 23 residues pruned to eliminate duplicates Z: 8 4.547 1.780 0.399 0.212 0.714 0.571 N 1.357 Z: 19 27.446 1.898 0.894 0.874 0.944 0.833 CB 1.387 19 residues pruned to eliminate duplicates Z: 18 26.610 1.931 0.731 0.918 1.000 0.941 CB 1.362 18 residues pruned to eliminate duplicates Z: 19 26.118 1.793 0.829 0.886 1.000 0.833 CB 1.355 Z: 6 3.685 1.570 0.528 0.297 0.800 0.400 CB 1.077 5 residues pruned to eliminate duplicates Z: 21 32.038 1.887 1.222 0.902 0.950 0.550 CB 1.282 20 residues pruned to eliminate duplicates Z: 21 31.205 1.959 1.185 0.926 0.950 0.700 CB 1.203 21 residues pruned to eliminate duplicates Z: 21 24.476 1.653 0.900 0.826 1.000 0.700 CB 1.315 21 residues pruned to eliminate duplicates Z: 20 23.233 1.841 0.544 0.887 0.947 0.737 CB 1.427 20 residues pruned to eliminate duplicates Z: 22 32.371 1.883 1.211 0.924 1.000 0.762 CB 1.191 22 residues pruned to eliminate duplicates Z: 18 21.879 1.947 0.431 0.906 1.000 0.882 CB 1.355 18 residues pruned to eliminate duplicates Z: 12 12.384 1.695 0.750 0.767 0.909 0.818 O 1.093 12 residues pruned to eliminate duplicates Z: 13 16.842 1.859 0.664 0.900 1.000 1.000 CB 1.123 13 residues pruned to eliminate duplicates Z: 23 27.834 1.944 0.663 0.940 1.000 0.909 CB 1.274 23 residues pruned to eliminate duplicates Z: 19 18.618 1.831 0.373 0.861 0.944 0.778 CB 1.359 19 residues pruned to eliminate duplicates Z: 21 30.719 1.874 1.212 0.935 0.900 0.900 CB 1.283 21 residues pruned to eliminate duplicates Z: 24 28.408 1.848 0.820 0.922 0.957 0.826 CB 1.295 23 residues pruned to eliminate duplicates Z: 21 31.887 1.946 1.137 0.918 0.950 0.700 CB 1.273 21 residues pruned to eliminate duplicates Z: 16 28.323 1.856 0.845 0.905 1.000 0.800 CB 1.520 16 residues pruned to eliminate duplicates Z: 14 14.285 1.682 0.583 0.822 0.769 0.615 CB 1.463 Z: 18 27.873 1.890 0.790 0.937 1.000 0.941 CB 1.390 18 residues pruned to eliminate duplicates Z: 19 18.228 1.721 0.799 0.832 1.000 0.667 CB 1.042 19 residues pruned to eliminate duplicates Z: 22 26.818 1.925 0.772 0.899 1.000 0.810 CB 1.226 22 residues pruned to eliminate duplicates Z: 23 26.992 1.924 0.635 0.929 0.955 0.818 CB 1.341 23 residues pruned to eliminate duplicates Z: 18 19.161 1.802 0.832 0.897 1.000 0.706 CB 1.008 19 residues pruned to eliminate duplicates Z: 18 17.362 1.663 0.595 0.891 1.000 0.824 CB 1.141 Z: 18 25.005 1.873 0.648 0.902 1.000 0.941 CB 1.401 18 residues pruned to eliminate duplicates Z: 27 16.332 1.785 0.605 0.609 0.885 0.769 CB 1.139 27 residues pruned to eliminate duplicates Z: 22 27.873 1.735 1.064 0.846 0.905 0.714 CB 1.394 19 residues pruned to eliminate duplicates Z: 20 26.198 1.852 0.823 0.893 0.947 0.579 CB 1.350 20 residues pruned to eliminate duplicates Z: 21 27.653 1.956 1.012 0.819 0.850 0.650 CB 1.401 21 residues pruned to eliminate duplicates Z: 21 31.635 2.009 0.912 0.891 0.950 0.850 CB 1.394 21 residues pruned to eliminate duplicates Z: 24 24.744 1.818 0.900 0.881 0.957 0.652 CB 1.130 24 residues pruned to eliminate duplicates Z: 18 32.762 1.737 1.081 0.927 1.000 0.882 O 1.540 18 residues pruned to eliminate duplicates Z: 18 17.414 1.828 0.491 0.906 1.000 0.765 CB 1.103 18 residues pruned to eliminate duplicates Z: 17 18.064 1.676 0.668 0.910 1.000 0.938 CB 1.146 18 residues pruned to eliminate duplicates Z: 23 34.321 1.859 1.114 0.924 0.955 0.818 CB 1.369 24 residues pruned to eliminate duplicates Z: 19 19.915 1.656 0.632 0.926 1.000 0.889 CB 1.218 9 residues pruned to eliminate duplicates Z: 18 24.418 1.870 0.768 0.873 0.941 0.765 CB 1.386 18 residues pruned to eliminate duplicates Z: 20 30.703 1.820 1.028 0.903 0.947 0.789 CB 1.436 20 residues pruned to eliminate duplicates Z: 12 20.213 1.868 1.027 0.911 1.000 0.818 CB 1.141 12 residues pruned to eliminate duplicates Z: 20 17.417 1.793 0.367 0.854 0.895 0.842 CB 1.345 20 residues pruned to eliminate duplicates Z: 12 10.577 1.903 0.738 0.581 0.909 0.455 CB 0.981 12 residues pruned to eliminate duplicates Z: 22 25.747 1.880 0.894 0.913 0.857 0.714 CB 1.304 22 residues pruned to eliminate duplicates Z: 18 20.804 1.854 0.589 0.911 0.941 0.824 CB 1.290 20 residues pruned to eliminate duplicates Z: 20 26.985 1.920 0.730 0.917 0.947 0.842 CB 1.388 20 residues pruned to eliminate duplicates Z: 23 30.653 1.878 1.041 0.943 1.000 0.773 CB 1.181 23 residues pruned to eliminate duplicates Z: 24 22.334 1.771 0.638 0.884 0.957 0.870 CB 1.213 23 residues pruned to eliminate duplicates Z: 19 25.953 2.003 1.078 0.925 1.000 0.944 CB 1.031 19 residues pruned to eliminate duplicates Z: 16 17.446 1.670 0.713 0.833 1.000 0.400 CB 1.181 17 residues pruned to eliminate duplicates Z: 13 16.825 1.765 1.068 0.831 0.750 0.583 CB 1.333 13 residues pruned to eliminate duplicates Z: 21 25.520 1.858 0.950 0.924 1.000 0.600 CB 1.106 21 residues pruned to eliminate duplicates Z: 17 20.244 1.815 0.516 0.868 1.000 0.938 CB 1.344 17 residues pruned to eliminate duplicates Z: 20 26.749 1.862 0.816 0.891 1.000 0.842 CB 1.305 20 residues pruned to eliminate duplicates Z: 20 25.961 1.734 0.831 0.890 1.000 0.737 CB 1.349 20 residues pruned to eliminate duplicates Z: 22 23.559 1.887 0.644 0.906 1.000 0.905 CB 1.178 22 residues pruned to eliminate duplicates Z: 20 22.901 1.807 0.791 0.905 0.947 0.789 CB 1.219 20 residues pruned to eliminate duplicates Z: 21 38.880 1.931 1.090 0.904 1.000 0.700 CB 1.535 21 residues pruned to eliminate duplicates Z: 17 19.993 1.853 0.442 0.901 1.000 0.875 CB 1.336 17 residues pruned to eliminate duplicates Z: 19 23.451 1.789 0.793 0.843 0.944 0.667 CB 1.359 Z: 17 16.571 1.770 0.568 0.734 0.875 0.688 O 1.382 17 residues pruned to eliminate duplicates Z: 22 34.490 1.914 1.352 0.905 0.952 0.571 CB 1.249 22 residues pruned to eliminate duplicates Z: 17 17.284 1.656 0.668 0.914 1.000 0.875 CB 1.106 16 residues pruned to eliminate duplicates Z: 23 20.378 1.802 0.440 0.901 1.000 0.909 CB 1.195 23 residues pruned to eliminate duplicates Z: 17 27.981 1.913 0.795 0.926 1.000 0.938 CB 1.429 17 residues pruned to eliminate duplicates Z: 19 28.227 1.868 1.104 0.941 0.944 0.500 CB 1.244 19 residues pruned to eliminate duplicates Z: 12 20.492 1.858 0.930 0.894 1.000 0.636 CB 1.236 12 residues pruned to eliminate duplicates Z: 20 34.864 1.947 1.044 0.918 1.000 0.789 CB 1.417 29 residues pruned to eliminate duplicates Z: 16 31.309 1.874 0.817 0.911 1.000 1.000 CB 1.683 16 residues pruned to eliminate duplicates Z: 17 13.180 1.677 0.434 0.885 1.000 0.938 CB 0.989 17 residues pruned to eliminate duplicates Z: 19 25.509 1.868 0.938 0.909 1.000 0.944 CB 1.179 19 residues pruned to eliminate duplicates Z: 17 20.997 1.788 1.142 0.925 1.000 0.875 CB 0.962 16 residues pruned to eliminate duplicates Z: 20 33.296 1.913 0.875 0.953 0.947 0.947 CB 1.547 20 residues pruned to eliminate duplicates Z: 22 27.147 1.900 0.939 0.882 0.952 0.810 CB 1.222 22 residues pruned to eliminate duplicates Z: 13 13.671 1.858 0.399 0.905 1.000 0.833 CB 1.080 13 residues pruned to eliminate duplicates Z: 6 4.236 1.447 0.833 0.630 0.800 0.600 CB 0.790 Z: 23 21.994 1.859 1.181 0.699 0.909 0.545 CB 1.061 23 residues pruned to eliminate duplicates Z: 18 17.907 1.797 0.513 0.894 0.941 0.882 CB 1.218 18 residues pruned to eliminate duplicates Z: 20 27.954 1.791 1.052 0.944 0.947 0.842 CB 1.275 21 residues pruned to eliminate duplicates Z: 13 21.487 1.823 0.942 0.908 1.000 0.750 CB 1.244 13 residues pruned to eliminate duplicates Z: 18 31.688 2.058 0.907 0.861 1.000 0.647 CB 1.439 18 residues pruned to eliminate duplicates Z: 16 21.652 1.825 0.885 0.928 1.000 0.600 CB 1.138 16 residues pruned to eliminate duplicates Z: 21 25.988 1.939 0.635 0.900 1.000 0.850 CB 1.310 21 residues pruned to eliminate duplicates Z: 18 20.450 1.975 0.969 0.916 0.941 0.824 CB 0.957 18 residues pruned to eliminate duplicates Z: 17 25.265 1.866 0.972 0.921 1.000 0.875 CB 1.208 17 residues pruned to eliminate duplicates Z: 18 20.355 1.867 0.496 0.890 0.941 0.882 CB 1.351 18 residues pruned to eliminate duplicates Z: 22 23.228 1.821 0.769 0.887 0.952 0.810 CB 1.192 22 residues pruned to eliminate duplicates Z: 22 30.150 1.903 1.049 0.920 0.952 0.714 CB 1.247 22 residues pruned to eliminate duplicates Z: 19 36.785 2.044 1.177 0.900 1.000 0.722 CB 1.392 19 residues pruned to eliminate duplicates Z: 13 16.867 1.878 0.572 0.865 1.000 0.667 CB 1.208 13 residues pruned to eliminate duplicates Z: 20 32.989 1.948 0.863 0.931 1.000 0.842 CB 1.457 20 residues pruned to eliminate duplicates Z: 24 23.965 1.798 0.817 0.904 0.957 0.565 CB 1.139 24 residues pruned to eliminate duplicates Z: 19 18.048 1.657 0.610 0.870 1.000 0.778 CB 1.164 19 residues pruned to eliminate duplicates Z: 17 19.391 1.776 0.530 0.875 1.000 0.750 CB 1.298 17 residues pruned to eliminate duplicates Z: 19 21.734 1.850 0.457 0.911 1.000 0.833 CB 1.347 18 residues pruned to eliminate duplicates Z: 20 33.383 1.938 1.091 0.925 0.947 0.579 CB 1.400 20 residues pruned to eliminate duplicates Z: 19 18.444 1.849 0.892 0.949 1.000 0.944 CB 0.858 19 residues pruned to eliminate duplicates Z: 18 24.529 1.762 0.630 0.912 1.000 0.882 CB 1.466 17 residues pruned to eliminate duplicates Z: 17 25.261 1.816 0.710 0.913 1.000 0.938 CB 1.440 17 residues pruned to eliminate duplicates Z: 18 18.242 1.682 0.618 0.899 1.000 0.706 CB 1.162 17 residues pruned to eliminate duplicates Z: 25 13.292 1.647 0.728 0.610 0.792 0.542 CB 1.085 14 residues pruned to eliminate duplicates Z: 22 31.005 1.926 0.873 0.937 1.000 0.857 CB 1.305 23 residues pruned to eliminate duplicates Z: 18 26.856 1.860 0.932 0.873 1.000 0.765 CB 1.320 18 residues pruned to eliminate duplicates Z: 21 23.108 1.887 1.271 0.921 0.900 0.600 CB 0.943 21 residues pruned to eliminate duplicates Z: 16 14.648 1.868 0.985 0.926 0.933 0.933 CB 0.766 16 residues pruned to eliminate duplicates Z: 14 21.798 1.860 0.591 0.934 1.000 0.923 CB 1.425 14 residues pruned to eliminate duplicates Z: 20 19.246 1.813 0.665 0.941 0.947 0.895 CB 1.072 20 residues pruned to eliminate duplicates Z: 20 28.107 1.838 1.028 0.916 1.000 0.684 CB 1.222 20 residues pruned to eliminate duplicates Z: 19 23.205 1.772 0.983 0.902 0.889 0.778 CB 1.248 18 residues pruned to eliminate duplicates Z: 20 19.980 1.713 0.639 0.868 0.947 0.789 CB 1.260 20 residues pruned to eliminate duplicates Z: 17 17.243 1.671 0.581 0.912 1.000 0.938 CB 1.156 17 residues pruned to eliminate duplicates Z: 24 27.736 1.792 0.964 0.897 1.000 0.826 CB 1.176 24 residues pruned to eliminate duplicates Z: 20 28.668 1.959 1.130 0.893 1.000 0.632 CB 1.131 19 residues pruned to eliminate duplicates Z: 18 27.352 1.880 1.074 0.944 1.000 1.000 CB 1.179 18 residues pruned to eliminate duplicates Z: 21 25.606 1.644 0.957 0.879 1.000 0.800 CB 1.290 21 residues pruned to eliminate duplicates Z: 21 18.822 1.857 0.827 0.899 1.000 0.800 CB 0.887 21 residues pruned to eliminate duplicates Z: 19 22.968 1.713 0.625 0.923 1.000 1.000 CB 1.367 19 residues pruned to eliminate duplicates Z: 17 25.470 1.875 0.821 0.896 1.000 0.812 CB 1.336 17 residues pruned to eliminate duplicates Z: 18 33.639 1.769 1.109 0.875 1.000 0.941 N 1.590 18 residues pruned to eliminate duplicates Z: 18 31.187 1.807 0.929 0.943 1.000 1.000 CB 1.504 18 residues pruned to eliminate duplicates Z: 20 27.847 1.792 0.987 0.858 1.000 0.789 CB 1.321 20 residues pruned to eliminate duplicates Z: 7 8.136 1.875 0.530 0.741 0.833 0.500 CB 1.119 7 residues pruned to eliminate duplicates Z: 11 12.289 1.801 0.588 0.890 0.900 0.800 CB 1.086 11 residues pruned to eliminate duplicates Z: 22 30.820 1.909 0.829 0.936 1.000 0.952 CB 1.341 22 residues pruned to eliminate duplicates Z: 21 31.026 1.974 1.123 0.863 0.900 0.650 CB 1.349 21 residues pruned to eliminate duplicates Z: 23 24.997 1.894 0.775 0.773 0.955 0.909 CB 1.304 23 residues pruned to eliminate duplicates Z: 19 19.135 1.937 0.658 0.914 0.944 0.833 CB 1.052 19 residues pruned to eliminate duplicates Z: 18 18.531 1.866 1.321 0.919 0.941 0.706 CB 0.777 18 residues pruned to eliminate duplicates Z: 14 20.187 1.747 0.815 0.890 0.923 0.692 CB 1.376 14 residues pruned to eliminate duplicates Z: 19 19.278 1.850 0.331 0.941 1.000 0.944 CB 1.281 19 residues pruned to eliminate duplicates Z: 19 24.900 1.913 0.485 0.932 1.000 1.000 CB 1.442 19 residues pruned to eliminate duplicates Z: 19 19.121 1.849 0.347 0.869 0.944 0.944 CB 1.400 19 residues pruned to eliminate duplicates Z: 20 20.637 1.816 0.748 0.898 1.000 0.895 CB 1.067 20 residues pruned to eliminate duplicates Z: 23 24.640 1.920 0.673 0.930 1.000 0.955 CB 1.144 23 residues pruned to eliminate duplicates Z: 16 17.755 1.775 0.699 0.828 0.933 0.867 CB 1.226 16 residues pruned to eliminate duplicates Z: 18 19.953 1.904 0.988 0.871 0.941 0.471 CB 0.990 18 residues pruned to eliminate duplicates Z: 6 5.897 1.638 0.335 0.730 1.000 1.000 CB 0.981 Z: 19 23.372 1.833 1.166 0.942 1.000 0.833 CB 0.962 19 residues pruned to eliminate duplicates Z: 21 24.756 1.926 0.969 0.910 1.000 0.900 CB 1.035 20 residues pruned to eliminate duplicates Z: 21 22.482 1.861 0.793 0.900 1.000 0.850 CB 1.076 21 residues pruned to eliminate duplicates Z: 25 22.414 1.868 1.252 0.773 0.917 0.792 CB 0.932 25 residues pruned to eliminate duplicates Z: 18 23.988 1.880 0.537 0.918 1.000 1.000 CB 1.420 18 residues pruned to eliminate duplicates Z: 19 22.015 1.809 0.858 0.860 1.000 0.889 CB 1.135 19 residues pruned to eliminate duplicates Z: 7 13.236 1.946 0.849 0.837 1.000 0.833 CB 1.123 7 residues pruned to eliminate duplicates Z: 20 26.703 1.729 0.935 0.855 1.000 0.789 CB 1.352 20 residues pruned to eliminate duplicates Z: 23 18.114 1.797 0.526 0.909 0.955 0.864 CB 1.047 23 residues pruned to eliminate duplicates Z: 6 2.454 1.660 0.521 0.232 0.400 0.200 CB 1.485 Z: 21 29.744 1.880 0.876 0.924 0.950 0.850 CB 1.394 21 residues pruned to eliminate duplicates Z: 19 19.960 1.818 0.658 0.902 0.944 0.667 CB 1.179 19 residues pruned to eliminate duplicates Z: 27 13.508 1.814 0.733 0.615 0.692 0.385 CB 1.091 27 residues pruned to eliminate duplicates Z: 26 26.119 1.757 0.772 0.865 1.000 0.720 CB 1.229 26 residues pruned to eliminate duplicates Z: 16 25.501 1.699 0.893 0.882 1.000 0.867 CB 1.481 16 residues pruned to eliminate duplicates Z: 19 14.667 1.817 0.723 0.875 0.889 0.667 CB 0.903 19 residues pruned to eliminate duplicates Z: 16 25.639 1.847 0.815 0.866 1.000 0.733 CB 1.446 16 residues pruned to eliminate duplicates Z: 8 4.161 1.722 0.756 0.333 0.571 0.286 CB 1.093 Z: 8 6.134 1.718 0.146 0.829 1.000 0.857 CB 0.886 8 residues pruned to eliminate duplicates Z: 17 16.400 1.796 0.536 0.902 1.000 0.812 CB 1.060 17 residues pruned to eliminate duplicates Z: 19 28.159 1.871 0.825 0.904 1.000 0.722 CB 1.385 19 residues pruned to eliminate duplicates Z: 23 32.929 1.952 1.024 0.953 1.000 0.818 CB 1.223 23 residues pruned to eliminate duplicates Z: 21 27.943 1.814 0.906 0.918 0.950 0.950 CB 1.342 21 residues pruned to eliminate duplicates Z: 17 19.694 1.852 0.776 0.882 1.000 0.938 CB 1.083 17 residues pruned to eliminate duplicates Z: 22 35.617 1.944 1.091 0.911 1.000 0.810 CB 1.356 22 residues pruned to eliminate duplicates Z: 23 27.696 1.833 0.809 0.921 0.955 0.818 CB 1.313 23 residues pruned to eliminate duplicates Z: 12 18.556 1.832 0.972 0.893 0.909 0.364 CB 1.223 12 residues pruned to eliminate duplicates Z: 19 19.241 1.965 0.917 0.849 0.944 0.722 CB 0.944 19 residues pruned to eliminate duplicates Z: 21 34.121 1.979 1.188 0.919 0.950 0.600 CB 1.307 21 residues pruned to eliminate duplicates Z: 21 29.616 1.792 1.062 0.915 0.950 0.750 CB 1.334 21 residues pruned to eliminate duplicates Z: 24 24.473 1.747 0.869 0.882 0.913 0.739 CB 1.238 24 residues pruned to eliminate duplicates Z: 18 20.540 1.891 0.675 0.876 0.941 0.765 CB 1.214 18 residues pruned to eliminate duplicates Z: 16 16.382 1.627 0.681 0.887 1.000 0.800 CB 1.115 16 residues pruned to eliminate duplicates Z: 17 26.968 1.859 0.711 0.915 1.000 0.875 CB 1.498 17 residues pruned to eliminate duplicates Z: 7 5.429 1.553 0.504 0.536 0.833 0.500 CB 1.099 Z: 9 3.880 1.447 0.283 0.454 0.875 0.625 CB 0.885 9 residues pruned to eliminate duplicates Z: 15 26.774 1.872 0.896 0.911 1.000 1.000 CB 1.429 15 residues pruned to eliminate duplicates 6 0.756 1.173 0.293 0.298 0.600 0.400 N 0.466 ? Z: 18 29.807 2.069 0.845 0.902 1.000 0.647 CB 1.351 18 residues pruned to eliminate duplicates Z: 19 27.239 1.815 0.845 0.903 1.000 0.889 CB 1.367 20 residues pruned to eliminate duplicates Z: 16 27.336 1.868 0.907 0.933 1.000 0.800 CB 1.382 17 residues pruned to eliminate duplicates Z: 13 22.318 1.864 0.954 0.861 0.917 0.750 CB 1.418 13 residues pruned to eliminate duplicates Z: 8 3.582 1.741 0.898 0.888 1.000 1.000 CB 0.295 6 1.270 1.531 0.263 0.364 0.600 0.400 CB 0.566 ? Z: 16 15.240 1.658 0.520 0.924 1.000 0.933 CB 1.097 16 residues pruned to eliminate duplicates Z: 18 15.585 1.627 0.917 0.833 0.941 0.588 CB 0.966 16 residues pruned to eliminate duplicates Z: 18 26.125 1.867 0.798 0.879 1.000 0.824 CB 1.369 18 residues pruned to eliminate duplicates Z: 20 21.542 1.803 1.087 0.920 0.947 0.737 CB 0.976 20 residues pruned to eliminate duplicates Z: 22 27.189 1.784 0.866 0.919 1.000 0.905 CB 1.255 22 residues pruned to eliminate duplicates Z: 25 24.771 1.804 0.621 0.884 1.000 0.833 CB 1.250 25 residues pruned to eliminate duplicates Z: 18 19.607 1.831 0.439 0.927 1.000 0.824 CB 1.265 18 residues pruned to eliminate duplicates Z: 19 22.642 1.937 1.071 0.935 1.000 0.722 CB 0.927 19 residues pruned to eliminate duplicates Z: 20 22.256 1.700 0.774 0.885 1.000 0.895 CB 1.223 20 residues pruned to eliminate duplicates Z: 7 3.152 1.655 0.161 0.408 0.667 0.500 CB 1.106 Z: 25 27.376 1.877 0.684 0.941 1.000 0.958 CB 1.227 25 residues pruned to eliminate duplicates Z: 19 23.886 1.867 0.713 0.878 1.000 0.778 CB 1.278 19 residues pruned to eliminate duplicates Z: 20 26.901 1.839 0.844 0.920 0.947 0.895 CB 1.353 20 residues pruned to eliminate duplicates Z: 13 12.788 1.717 1.167 0.552 0.750 0.250 N 1.258 13 residues pruned to eliminate duplicates Z: 22 31.953 1.952 0.752 0.925 1.000 1.000 CB 1.431 22 residues pruned to eliminate duplicates Z: 13 18.212 1.764 0.724 0.869 0.917 0.750 CB 1.378 13 residues pruned to eliminate duplicates Z: 21 21.998 1.892 0.524 0.940 1.000 0.900 CB 1.184 21 residues pruned to eliminate duplicates Z: 21 34.376 1.965 1.153 0.929 0.950 0.750 CB 1.339 21 residues pruned to eliminate duplicates Z: 18 18.946 1.823 0.439 0.936 1.000 0.882 CB 1.219 18 residues pruned to eliminate duplicates Z: 17 22.368 1.766 0.936 0.892 0.938 0.688 CB 1.254 17 residues pruned to eliminate duplicates Z: 19 19.687 1.820 0.415 0.887 0.944 0.944 CB 1.376 20 residues pruned to eliminate duplicates Z: 17 17.289 1.778 0.620 0.835 0.938 0.812 CB 1.199 17 residues pruned to eliminate duplicates Z: 19 26.253 1.833 0.763 0.915 1.000 0.889 CB 1.354 19 residues pruned to eliminate duplicates Z: 17 23.618 1.649 0.852 0.921 1.000 0.938 CB 1.361 17 residues pruned to eliminate duplicates Z: 22 26.133 1.721 0.925 0.890 1.000 0.714 CB 1.239 22 residues pruned to eliminate duplicates Z: 19 26.606 1.788 0.802 0.878 1.000 0.833 CB 1.412 19 residues pruned to eliminate duplicates Z: 19 25.808 1.822 0.728 0.907 1.000 0.944 CB 1.373 19 residues pruned to eliminate duplicates Z: 17 25.994 1.680 0.820 0.920 1.000 0.938 CB 1.497 16 residues pruned to eliminate duplicates Z: 19 24.491 2.014 1.033 0.941 1.000 0.889 CB 0.979 19 residues pruned to eliminate duplicates Z: 16 18.764 1.723 0.855 0.930 1.000 0.933 CB 1.060 16 residues pruned to eliminate duplicates Z: 24 18.007 1.788 0.371 0.726 0.913 0.826 CB 1.368 24 residues pruned to eliminate duplicates Z: 23 25.460 1.839 0.589 0.932 1.000 0.909 CB 1.298 23 residues pruned to eliminate duplicates Z: 21 22.612 1.744 0.750 0.856 0.950 0.650 CB 1.286 21 residues pruned to eliminate duplicates Z: 25 13.499 1.689 0.394 0.598 0.833 0.625 CB 1.280 25 residues pruned to eliminate duplicates Z: 22 28.279 1.897 0.783 0.890 1.000 0.810 CB 1.312 22 residues pruned to eliminate duplicates Z: 11 15.084 1.862 0.916 0.857 0.900 0.600 CB 1.095 11 residues pruned to eliminate duplicates Z: 16 17.042 1.688 0.702 0.896 0.933 0.933 CB 1.176 16 residues pruned to eliminate duplicates Z: 15 15.220 1.676 0.437 0.886 1.000 0.857 O 1.219 14 residues pruned to eliminate duplicates Z: 17 29.609 1.822 1.182 0.915 1.000 0.938 CB 1.315 17 residues pruned to eliminate duplicates Z: 18 19.550 1.847 0.844 0.917 1.000 1.000 CB 0.982 18 residues pruned to eliminate duplicates Z: 18 21.529 1.701 1.047 0.813 0.882 0.529 CB 1.294 14 residues pruned to eliminate duplicates Z: 23 27.786 1.833 0.778 0.865 0.955 0.818 CB 1.395 23 residues pruned to eliminate duplicates Z: 19 28.754 1.820 0.922 0.923 1.000 0.889 CB 1.361 19 residues pruned to eliminate duplicates Z: 17 19.202 1.718 1.264 0.946 1.000 1.000 CB 0.854 17 residues pruned to eliminate duplicates Z: 21 21.113 1.862 0.473 0.824 1.000 0.700 CB 1.300 20 residues pruned to eliminate duplicates Z: 15 24.498 1.788 0.888 0.897 0.929 0.857 CB 1.495 15 residues pruned to eliminate duplicates Z: 21 29.792 1.763 1.000 0.851 1.000 0.800 CB 1.398 22 residues pruned to eliminate duplicates Z: 6 2.801 1.334 0.290 0.385 0.800 0.600 O 1.028 Z: 22 21.681 1.891 0.616 0.944 0.905 0.905 CB 1.185 22 residues pruned to eliminate duplicates Z: 6 2.079 1.603 0.139 0.297 0.600 0.600 CB 1.065 Z: 19 15.150 1.737 0.887 0.751 0.833 0.611 CB 1.045 19 residues pruned to eliminate duplicates Z: 24 20.114 1.806 1.159 0.810 0.913 0.783 CB 0.900 24 residues pruned to eliminate duplicates Z: 16 35.011 1.888 1.034 0.902 1.000 0.867 CB 1.680 16 residues pruned to eliminate duplicates Z: 21 20.518 1.712 0.649 0.781 0.950 0.750 CB 1.335 21 residues pruned to eliminate duplicates Z: 18 29.167 2.033 0.919 0.868 0.941 0.353 CB 1.408 18 residues pruned to eliminate duplicates Z: 17 22.600 1.822 0.737 0.869 1.000 0.875 CB 1.304 17 residues pruned to eliminate duplicates Z: 19 24.706 1.629 0.980 0.871 0.944 0.833 CB 1.395 19 residues pruned to eliminate duplicates Z: 18 25.802 1.895 0.677 0.914 1.000 1.000 CB 1.392 18 residues pruned to eliminate duplicates Z: 24 23.156 1.790 0.586 0.898 1.000 0.957 CB 1.216 24 residues pruned to eliminate duplicates Z: 15 23.198 1.743 0.881 0.878 1.000 0.857 CB 1.372 16 residues pruned to eliminate duplicates Z: 8 5.864 1.374 0.878 0.837 0.857 0.429 CB 0.749 7 residues pruned to eliminate duplicates Z: 19 20.458 1.750 0.767 0.863 0.944 0.889 CB 1.212 19 residues pruned to eliminate duplicates Z: 18 28.630 1.866 0.888 0.920 1.000 0.706 CB 1.389 18 residues pruned to eliminate duplicates Z: 17 18.367 1.816 0.473 0.918 0.938 0.812 CB 1.291 17 residues pruned to eliminate duplicates Z: 19 20.016 1.617 0.793 0.931 1.000 0.778 CB 1.137 18 residues pruned to eliminate duplicates Z: 22 24.228 1.912 0.527 0.882 0.952 0.857 CB 1.376 22 residues pruned to eliminate duplicates Z: 18 21.900 1.846 0.399 0.931 1.000 0.882 CB 1.437 18 residues pruned to eliminate duplicates Z: 16 18.129 1.616 0.709 0.855 0.933 0.733 N 1.340 16 residues pruned to eliminate duplicates Z: 19 12.307 1.764 0.464 0.860 0.889 0.667 CB 0.929 19 residues pruned to eliminate duplicates Z: 23 27.544 1.860 0.648 0.882 1.000 0.864 CB 1.386 23 residues pruned to eliminate duplicates Z: 8 6.392 1.855 0.764 0.853 0.857 0.857 CB 0.637 Z: 19 22.295 1.708 0.831 0.880 1.000 0.667 CB 1.217 19 residues pruned to eliminate duplicates Z: 20 21.163 1.794 1.001 0.937 1.000 0.842 CB 0.941 20 residues pruned to eliminate duplicates Z: 19 28.722 1.772 0.911 0.893 1.000 0.833 CB 1.436 19 residues pruned to eliminate duplicates Z: 16 21.354 1.738 0.808 0.891 0.933 0.400 CB 1.352 16 residues pruned to eliminate duplicates Z: 23 26.431 1.931 0.714 0.940 0.955 0.955 CB 1.239 23 residues pruned to eliminate duplicates Z: 17 15.303 1.694 0.558 0.860 0.875 0.438 CB 1.218 17 residues pruned to eliminate duplicates Z: 18 23.319 1.854 0.766 0.857 1.000 0.882 CB 1.273 18 residues pruned to eliminate duplicates 7 1.622 1.797 0.681 0.823 1.000 1.000 CB 0.166 ? Z: 20 21.878 1.650 0.941 0.849 1.000 0.842 CB 1.162 20 residues pruned to eliminate duplicates Z: 22 22.815 1.847 0.801 0.882 0.905 0.762 CB 1.196 22 residues pruned to eliminate duplicates Z: 17 21.572 1.671 0.854 0.877 0.938 0.750 O 1.349 17 residues pruned to eliminate duplicates Z: 6 2.886 1.577 0.063 0.648 1.000 0.600 CB 0.671 Z: 16 18.793 1.807 1.250 0.868 0.867 0.467 CB 1.006 16 residues pruned to eliminate duplicates Z: 57 31.366 1.864 0.741 0.700 0.929 0.571 CB 1.158 49 residues pruned to eliminate duplicates Z: 18 23.734 1.845 0.800 0.926 1.000 0.824 CB 1.216 18 residues pruned to eliminate duplicates Z: 12 14.468 1.850 0.880 0.704 0.909 0.727 CB 1.146 12 residues pruned to eliminate duplicates Z: 17 17.643 1.674 0.551 0.868 1.000 0.875 CB 1.242 17 residues pruned to eliminate duplicates Z: 19 15.664 1.818 0.446 0.838 0.833 0.778 CB 1.260 19 residues pruned to eliminate duplicates Z: 19 19.507 1.751 0.399 0.872 1.000 0.778 CB 1.368 19 residues pruned to eliminate duplicates Z: 22 24.357 1.805 0.694 0.914 1.000 0.952 CB 1.229 22 residues pruned to eliminate duplicates Z: 17 25.162 1.927 0.621 0.935 1.000 0.938 CB 1.403 17 residues pruned to eliminate duplicates Z: 23 30.269 1.942 0.769 0.950 1.000 0.909 CB 1.295 23 residues pruned to eliminate duplicates Z: 10 5.582 1.588 0.766 0.279 0.778 0.556 CB 1.096 Z: 17 16.636 1.627 0.754 0.887 1.000 0.688 CB 1.050 17 residues pruned to eliminate duplicates Z: 14 17.730 1.677 0.806 0.877 0.923 0.692 CB 1.277 14 residues pruned to eliminate duplicates Z: 19 21.501 1.776 0.684 0.861 0.944 0.833 CB 1.317 19 residues pruned to eliminate duplicates Z: 8 6.529 1.611 1.090 0.353 0.714 0.286 CA 1.203 Z: 19 22.124 1.813 1.260 0.833 1.000 0.611 CB 0.955 19 residues pruned to eliminate duplicates Z: 14 11.195 1.661 1.112 0.843 0.923 0.385 CB 0.714 14 residues pruned to eliminate duplicates Z: 19 14.791 1.765 0.777 0.901 1.000 0.889 CB 0.793 16 residues pruned to eliminate duplicates Z: 20 38.291 1.897 1.084 0.927 1.000 0.895 CB 1.557 21 residues pruned to eliminate duplicates Z: 19 24.335 1.772 0.763 0.907 1.000 0.833 CB 1.305 19 residues pruned to eliminate duplicates Z: 20 32.119 1.943 0.928 0.882 1.000 0.895 CB 1.423 20 residues pruned to eliminate duplicates Z: 7 3.693 1.777 0.397 0.413 1.000 0.500 CB 0.665 Z: 18 24.768 1.841 0.838 0.926 1.000 0.824 CB 1.245 18 residues pruned to eliminate duplicates Z: 18 23.938 1.881 0.693 0.878 1.000 0.941 CB 1.323 18 residues pruned to eliminate duplicates Z: 20 21.690 1.831 0.851 0.916 0.947 0.789 CB 1.094 20 residues pruned to eliminate duplicates Z: 10 9.222 1.569 0.575 0.888 0.889 0.778 CB 1.008 9 residues pruned to eliminate duplicates Z: 26 17.740 1.815 0.263 0.649 0.960 0.680 CB 1.404 26 residues pruned to eliminate duplicates Z: 8 2.692 1.481 0.898 0.278 0.714 0.286 CB 0.651 Z: 8 6.045 1.566 0.439 0.513 1.000 0.571 CB 1.001 Z: 20 17.200 1.878 0.617 0.935 1.000 1.000 CB 0.905 20 residues pruned to eliminate duplicates Z: 16 20.299 1.748 0.793 0.916 1.000 1.000 CB 1.182 16 residues pruned to eliminate duplicates Z: 19 18.510 1.743 0.560 0.889 1.000 0.944 CB 1.155 19 residues pruned to eliminate duplicates Z: 25 21.039 1.793 0.565 0.725 0.958 0.792 CB 1.304 25 residues pruned to eliminate duplicates Z: 17 21.473 1.711 0.945 0.855 1.000 0.562 CB 1.191 17 residues pruned to eliminate duplicates Z: 17 18.559 1.800 0.928 0.870 0.875 0.688 CB 1.115 17 residues pruned to eliminate duplicates Z: 18 22.476 1.895 0.803 0.881 1.000 0.588 CB 1.155 18 residues pruned to eliminate duplicates Z: 19 34.111 1.945 1.022 0.915 1.000 0.944 CB 1.444 19 residues pruned to eliminate duplicates Z: 18 27.834 1.742 0.997 0.882 1.000 0.706 CB 1.404 18 residues pruned to eliminate duplicates Z: 9 8.502 1.770 0.337 0.614 1.000 0.750 CB 1.140 9 residues pruned to eliminate duplicates Z: 18 22.801 1.747 0.728 0.900 1.000 0.765 CB 1.308 18 residues pruned to eliminate duplicates Z: 19 22.079 1.835 0.774 0.872 0.944 0.778 CB 1.235 19 residues pruned to eliminate duplicates Z: 17 15.691 1.764 0.754 0.927 1.000 0.938 CB 0.889 16 residues pruned to eliminate duplicates Z: 24 26.001 1.911 0.790 0.904 0.957 0.870 CB 1.180 24 residues pruned to eliminate duplicates Z: 19 27.809 1.889 0.855 0.897 0.944 0.889 CB 1.418 19 residues pruned to eliminate duplicates Z: 12 15.082 1.716 0.700 0.862 0.909 0.818 CB 1.259 12 residues pruned to eliminate duplicates Z: 20 21.776 1.947 0.625 0.904 0.947 0.842 CB 1.188 20 residues pruned to eliminate duplicates Z: 18 23.713 1.794 1.006 0.878 1.000 0.765 CB 1.159 18 residues pruned to eliminate duplicates Z: 8 3.551 1.498 0.445 0.374 0.714 0.429 CB 0.993 Z: 20 20.015 1.844 0.722 0.920 0.947 0.737 CB 1.075 20 residues pruned to eliminate duplicates Z: 20 22.604 1.854 1.138 0.888 1.000 0.632 CB 0.942 20 residues pruned to eliminate duplicates Z: 17 21.291 1.702 0.875 0.891 1.000 0.688 CB 1.200 18 residues pruned to eliminate duplicates Z: 17 24.539 1.813 0.918 0.876 1.000 0.812 CB 1.282 17 residues pruned to eliminate duplicates Z: 15 11.983 1.658 0.692 0.688 0.857 0.786 CB 1.121 15 residues pruned to eliminate duplicates Z: 22 33.011 1.925 1.032 0.900 1.000 0.857 CB 1.316 22 residues pruned to eliminate duplicates Z: 6 2.144 1.291 0.317 0.563 1.000 0.800 CB 0.531 Z: 20 35.044 1.980 1.103 0.841 0.947 0.684 CB 1.520 20 residues pruned to eliminate duplicates Z: 19 21.975 1.822 0.850 0.877 0.944 0.722 CB 1.182 19 residues pruned to eliminate duplicates Z: 23 20.818 1.818 0.794 0.899 0.909 0.545 CB 1.070 23 residues pruned to eliminate duplicates Z: 8 5.405 1.613 0.604 0.315 0.857 0.714 CB 1.130 Z: 19 18.488 1.699 0.656 0.887 0.889 0.722 CB 1.256 19 residues pruned to eliminate duplicates Z: 19 24.583 1.785 0.830 0.885 1.000 0.778 CB 1.281 19 residues pruned to eliminate duplicates Z: 22 27.498 1.853 0.641 0.940 1.000 0.905 CB 1.371 22 residues pruned to eliminate duplicates Z: 18 28.073 1.733 1.088 0.910 1.000 0.941 CB 1.335 17 residues pruned to eliminate duplicates Z: 14 20.591 1.879 0.736 0.925 1.000 1.000 CB 1.229 14 residues pruned to eliminate duplicates Z: 16 29.317 1.765 1.008 0.890 1.000 0.933 CB 1.537 16 residues pruned to eliminate duplicates Z: 20 21.664 1.900 0.595 0.816 0.947 0.842 CB 1.316 20 residues pruned to eliminate duplicates Z: 15 10.950 1.738 0.520 0.830 0.857 0.643 CB 0.972 15 residues pruned to eliminate duplicates Z: 9 8.924 1.600 0.287 0.639 1.000 0.750 CA 1.344 9 residues pruned to eliminate duplicates Z: 15 22.089 1.888 0.782 0.846 0.857 0.786 CB 1.521 15 residues pruned to eliminate duplicates Z: 19 31.378 1.922 0.804 0.940 1.000 0.944 CB 1.481 19 residues pruned to eliminate duplicates Z: 19 34.831 2.006 0.919 0.882 1.000 0.833 CB 1.542 19 residues pruned to eliminate duplicates Z: 22 24.314 1.915 0.600 0.944 1.000 0.952 CB 1.199 22 residues pruned to eliminate duplicates Z: 15 19.536 1.796 0.974 0.846 0.857 0.786 CB 1.276 15 residues pruned to eliminate duplicates Z: 15 15.361 1.716 0.390 0.875 0.929 0.929 O 1.348 15 residues pruned to eliminate duplicates Z: 18 24.281 1.757 0.864 0.884 0.882 0.765 CB 1.472 18 residues pruned to eliminate duplicates Z: 21 26.450 1.755 0.793 0.916 0.950 0.800 CB 1.397 21 residues pruned to eliminate duplicates Z: 22 24.227 1.921 0.562 0.909 1.000 0.952 CB 1.251 22 residues pruned to eliminate duplicates Z: 16 9.905 1.604 0.726 0.530 0.867 0.667 CB 1.035 11 residues pruned to eliminate duplicates Z: 20 20.549 1.734 0.921 0.900 0.842 0.263 CB 1.200 20 residues pruned to eliminate duplicates 6 1.211 1.815 0.113 0.295 0.800 0.800 CB 0.421 ? Z: 19 25.477 1.858 0.972 0.867 0.889 0.389 CB 1.349 19 residues pruned to eliminate duplicates Z: 24 23.867 1.886 0.605 0.915 0.957 0.913 CB 1.215 24 residues pruned to eliminate duplicates Z: 15 15.594 1.872 0.192 0.892 1.000 0.929 CB 1.342 15 residues pruned to eliminate duplicates Z: 9 10.167 1.713 0.550 0.844 1.000 1.000 CB 1.007 9 residues pruned to eliminate duplicates Z: 21 20.240 1.826 0.772 0.807 0.900 0.800 CB 1.190 21 residues pruned to eliminate duplicates Z: 7 3.963 1.524 0.331 0.444 0.833 0.500 CB 1.014 6 residues pruned to eliminate duplicates Z: 19 22.887 1.850 0.928 0.845 0.889 0.722 CB 1.265 19 residues pruned to eliminate duplicates Z: 18 21.295 1.655 1.170 0.890 0.941 0.706 CB 1.099 18 residues pruned to eliminate duplicates Z: 12 21.438 1.803 0.853 0.876 1.000 0.727 CB 1.406 12 residues pruned to eliminate duplicates Z: 8 5.104 1.378 0.566 0.557 0.857 0.429 CB 0.987 Z: 18 22.580 1.739 0.942 0.835 0.941 0.824 CB 1.291 18 residues pruned to eliminate duplicates Z: 19 18.832 1.664 0.894 0.861 0.833 0.556 CB 1.242 19 residues pruned to eliminate duplicates Z: 12 6.937 1.645 0.879 0.817 1.000 0.909 CB 0.514 8 residues pruned to eliminate duplicates Z: 31 20.545 1.697 0.906 0.672 0.900 0.567 CB 1.099 24 residues pruned to eliminate duplicates Z: 25 30.306 1.906 0.889 0.804 1.000 0.750 CB 1.318 25 residues pruned to eliminate duplicates Z: 6 5.192 1.680 0.665 0.448 1.000 0.400 CB 0.875 Z: 19 20.309 1.772 0.712 0.870 0.944 0.722 CB 1.219 19 residues pruned to eliminate duplicates Z: 15 19.396 1.674 0.667 0.869 1.000 0.857 O 1.357 15 residues pruned to eliminate duplicates Z: 22 26.103 1.821 0.873 0.888 0.952 0.762 CB 1.263 22 residues pruned to eliminate duplicates Z: 17 15.358 1.656 0.667 0.857 1.000 0.812 CB 1.025 17 residues pruned to eliminate duplicates Z: 6 2.459 1.273 0.764 0.290 0.600 0.400 O 1.033 Z: 24 21.638 1.862 0.761 0.669 0.957 0.739 CB 1.231 24 residues pruned to eliminate duplicates Z: 21 25.442 1.826 0.857 0.708 0.950 0.800 CB 1.463 21 residues pruned to eliminate duplicates Z: 15 25.463 1.852 0.766 0.882 1.000 0.857 O 1.506 15 residues pruned to eliminate duplicates Z: 12 5.375 1.591 0.194 0.335 1.000 0.636 CB 1.022 12 residues pruned to eliminate duplicates Z: 20 20.965 1.571 1.088 0.808 0.947 0.579 CB 1.184 20 residues pruned to eliminate duplicates Z: 28 26.373 1.937 0.837 0.747 0.926 0.630 CB 1.235 28 residues pruned to eliminate duplicates Z: 7 3.275 1.491 0.180 0.452 0.833 0.833 CB 0.957 7 residues pruned to eliminate duplicates Z: 18 28.976 1.926 0.822 0.935 1.000 0.882 CB 1.396 19 residues pruned to eliminate duplicates Z: 18 23.214 1.693 1.034 0.901 0.882 0.824 CB 1.323 18 residues pruned to eliminate duplicates 6 1.437 1.131 0.466 0.338 0.800 0.600 CB 0.579 ? Z: 22 27.264 1.814 1.065 0.914 0.952 0.857 CB 1.179 22 residues pruned to eliminate duplicates Z: 32 22.509 1.889 0.774 0.620 0.903 0.710 CB 1.193 32 residues pruned to eliminate duplicates Z: 11 11.476 1.734 0.721 0.694 0.900 0.800 CB 1.131 11 residues pruned to eliminate duplicates Z: 17 22.841 1.821 0.592 0.918 1.000 0.938 CB 1.389 17 residues pruned to eliminate duplicates Z: 17 21.344 1.693 0.765 0.869 0.938 0.750 O 1.391 17 residues pruned to eliminate duplicates Z: 19 32.533 1.884 0.960 0.907 1.000 0.778 CB 1.475 19 residues pruned to eliminate duplicates Z: 18 27.965 1.789 0.919 0.901 0.941 0.882 O 1.499 18 residues pruned to eliminate duplicates Z: 10 3.315 1.566 0.433 0.763 1.000 0.667 CB 0.390 Z: 20 21.799 1.825 1.281 0.933 1.000 0.526 CB 0.838 20 residues pruned to eliminate duplicates Z: 16 24.458 1.866 1.000 0.923 0.933 0.800 CB 1.274 16 residues pruned to eliminate duplicates Z: 28 17.016 1.801 0.699 0.731 0.852 0.556 CB 1.020 28 residues pruned to eliminate duplicates Z: 16 18.218 1.700 0.817 0.774 0.867 0.600 CB 1.379 16 residues pruned to eliminate duplicates Z: 38 30.959 1.797 0.853 0.731 0.946 0.676 CB 1.312 38 residues pruned to eliminate duplicates 6 1.668 1.457 -0.274 0.423 0.800 0.600 N 0.955 ? Z: 19 14.742 1.702 0.745 0.828 0.833 0.444 CB 1.057 19 residues pruned to eliminate duplicates Z: 19 31.373 1.882 0.907 0.901 1.000 0.889 CB 1.470 19 residues pruned to eliminate duplicates Z: 18 23.453 1.764 0.729 0.943 1.000 0.882 CB 1.293 18 residues pruned to eliminate duplicates Z: 17 15.822 1.696 0.800 0.677 0.938 0.688 CB 1.174 17 residues pruned to eliminate duplicates Z: 24 23.265 1.904 0.595 0.911 1.000 0.957 CB 1.132 24 residues pruned to eliminate duplicates Z: 6 3.978 1.792 0.461 0.461 0.800 0.600 CB 0.884 Z: 28 24.194 1.834 0.853 0.698 0.852 0.667 CB 1.342 28 residues pruned to eliminate duplicates Z: 42 36.709 1.892 0.990 0.814 0.927 0.512 CB 1.250 46 residues pruned to eliminate duplicates Z: 7 4.110 1.337 0.258 0.437 1.000 0.500 CA 1.065 Z: 21 19.101 1.879 0.749 0.903 1.000 0.750 CB 0.926 21 residues pruned to eliminate duplicates Z: 17 25.719 1.813 0.797 0.845 1.000 0.812 CB 1.467 18 residues pruned to eliminate duplicates 6 1.900 1.296 0.573 0.421 0.600 0.600 CB 0.754 ? Z: 18 28.777 1.820 1.050 0.908 1.000 0.824 CB 1.328 18 residues pruned to eliminate duplicates Z: 11 10.262 1.656 1.064 0.898 1.000 0.900 CB 0.679 11 residues pruned to eliminate duplicates Z: 7 8.966 1.627 0.575 0.790 1.000 0.833 CB 1.107 7 residues pruned to eliminate duplicates Z: 6 2.331 1.516 0.382 0.467 0.600 0.400 CB 0.857 Z: 25 32.805 1.882 0.894 0.936 1.000 0.750 CB 1.308 25 residues pruned to eliminate duplicates Z: 19 32.522 1.801 1.183 0.922 1.000 0.833 CB 1.372 18 residues pruned to eliminate duplicates Z: 15 23.912 1.737 0.891 0.887 0.929 0.786 O 1.512 15 residues pruned to eliminate duplicates Z: 22 10.361 1.503 0.923 0.478 0.762 0.524 CB 1.049 22 residues pruned to eliminate duplicates Z: 19 31.052 1.927 1.006 0.926 1.000 0.778 CB 1.328 19 residues pruned to eliminate duplicates Z: 16 18.159 1.760 0.811 0.853 0.933 0.467 CB 1.165 16 residues pruned to eliminate duplicates Z: 9 4.699 1.643 0.690 0.420 0.875 0.625 CB 0.744 Z: 9 5.391 1.751 0.431 0.305 0.875 0.750 CB 1.079 9 residues pruned to eliminate duplicates 833 residues left after pruning, divided into chains as follows: A: 20 B: 24 C: 17 D: 22 E: 10 F: 21 G: 24 H: 18 I: 23 J: 19 K: 22 L: 18 M: 17 N: 21 O: 21 P: 19 Q: 17 R: 18 S: 18 T: 24 U: 16 V: 19 W: 17 X: 18 Y: 19 Z: 19 Z: 22 Z: 23 Z: 35 Z: 26 Z: 19 Z: 25 Z: 40 Z: 19 Z: 88 Z: 17 Z: 18 CC for partial structure against native data = 43.27 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.636, Connect. = 0.723 for dens.mod. cycle 1 = 0.300, Contrast = 0.727, Connect. = 0.752 for dens.mod. cycle 2 = 0.300, Contrast = 0.870, Connect. = 0.774 for dens.mod. cycle 3 = 0.300, Contrast = 0.888, Connect. = 0.774 for dens.mod. cycle 4 = 0.300, Contrast = 0.900, Connect. = 0.775 for dens.mod. cycle 5 = 0.300, Contrast = 0.901, Connect. = 0.775 for dens.mod. cycle 6 = 0.300, Contrast = 0.903, Connect. = 0.775 for dens.mod. cycle 7 = 0.300, Contrast = 0.901, Connect. = 0.776 for dens.mod. cycle 8 = 0.300, Contrast = 0.900, Connect. = 0.776 for dens.mod. cycle 9 = 0.300, Contrast = 0.897, Connect. = 0.776 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2833 peaks > 0.5 sigma used to seed fragment search Space for about 1576 unique residues taking solvent into account 695 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 25.391 1.952 0.431 0.902 1.000 0.850 CB 1.449 B: 19 20.490 2.104 0.544 0.922 0.944 0.833 CB 1.107 C: 18 31.046 2.035 0.769 0.885 1.000 0.882 CB 1.511 D: 20 25.347 1.894 0.721 0.899 0.947 0.895 CB 1.346 E: 17 25.591 2.026 0.313 0.933 1.000 1.000 CB 1.678 F: 20 18.161 1.987 0.916 0.910 0.947 0.737 CB 0.819 G: 17 23.970 2.089 0.880 0.904 0.938 0.812 CB 1.159 H: 22 29.585 1.951 1.028 0.904 1.000 0.857 CB 1.162 I: 20 21.527 1.904 0.669 0.914 1.000 0.842 CB 1.099 J: 20 32.992 2.016 0.886 0.881 1.000 0.789 CB 1.442 18 residues pruned to eliminate duplicates K: 22 27.867 1.971 0.715 0.909 1.000 0.857 CB 1.277 L: 20 24.169 2.056 0.666 0.928 1.000 0.947 CB 1.134 19 residues pruned to eliminate duplicates M: 18 15.002 1.987 0.823 0.826 0.824 0.647 CB 0.920 18 residues pruned to eliminate duplicates N: 24 23.135 1.906 0.785 0.863 0.957 0.652 CB 1.087 O: 20 23.994 1.930 0.595 0.895 1.000 0.737 CB 1.282 P: 17 16.889 1.752 0.375 0.930 1.000 1.000 CB 1.226 Q: 20 17.342 2.012 0.826 0.921 1.000 0.737 CB 0.762 20 residues pruned to eliminate duplicates R: 19 25.648 1.994 0.517 0.929 0.944 0.833 CB 1.481 19 residues pruned to eliminate duplicates S: 18 26.477 2.031 0.596 0.890 1.000 0.882 CB 1.425 18 residues pruned to eliminate duplicates T: 20 29.566 2.025 1.021 0.928 0.947 0.737 CB 1.225 U: 19 38.440 2.088 1.026 0.921 1.000 0.778 CB 1.506 20 residues pruned to eliminate duplicates V: 19 23.206 1.917 0.671 0.842 0.944 0.833 CB 1.346 W: 20 29.254 2.021 1.154 0.941 1.000 0.684 CB 1.069 20 residues pruned to eliminate duplicates X: 20 29.637 2.020 0.689 0.939 0.947 0.895 CB 1.462 21 residues pruned to eliminate duplicates Y: 20 33.500 2.023 0.832 0.907 1.000 0.895 CB 1.473 19 residues pruned to eliminate duplicates Z: 21 16.813 1.965 0.373 0.946 1.000 0.950 CB 0.964 21 residues pruned to eliminate duplicates Z: 25 27.120 1.885 0.586 0.915 1.000 0.958 CB 1.309 Z: 20 18.550 1.943 0.881 0.912 0.947 0.684 CB 0.871 20 residues pruned to eliminate duplicates Z: 20 27.061 2.005 0.660 0.938 1.000 0.947 CB 1.297 20 residues pruned to eliminate duplicates Z: 23 29.975 2.015 0.784 0.934 1.000 0.818 CB 1.240 Z: 19 22.390 1.899 0.856 0.886 0.944 0.778 CB 1.144 20 residues pruned to eliminate duplicates Z: 15 21.075 1.971 0.631 0.834 0.929 0.714 CB 1.415 15 residues pruned to eliminate duplicates Z: 15 24.817 2.047 0.403 0.883 1.000 0.857 O 1.670 Z: 17 19.451 1.740 0.642 0.908 1.000 0.938 CB 1.209 17 residues pruned to eliminate duplicates Z: 16 21.198 1.796 0.563 0.898 1.000 0.733 CB 1.395 Z: 21 23.822 1.885 0.680 0.891 0.900 0.800 CB 1.343 20 residues pruned to eliminate duplicates Z: 22 21.429 1.950 0.791 0.821 0.810 0.619 CB 1.252 Z: 19 26.439 2.023 0.955 0.925 1.000 0.833 CB 1.106 17 residues pruned to eliminate duplicates Z: 20 26.752 2.023 0.865 0.924 1.000 0.842 CB 1.142 19 residues pruned to eliminate duplicates Z: 20 20.580 1.932 0.523 0.891 1.000 0.789 CB 1.153 20 residues pruned to eliminate duplicates Z: 12 24.833 2.152 1.164 0.923 0.909 0.364 CB 1.243 13 residues pruned to eliminate duplicates Z: 21 31.601 2.064 0.730 0.948 1.000 0.800 CB 1.366 21 residues pruned to eliminate duplicates Z: 17 17.102 1.789 0.518 0.892 1.000 0.875 CB 1.132 17 residues pruned to eliminate duplicates Z: 19 26.384 1.868 0.977 0.873 1.000 0.778 CB 1.227 19 residues pruned to eliminate duplicates Z: 24 29.842 1.987 0.754 0.920 1.000 0.913 CB 1.258 24 residues pruned to eliminate duplicates Z: 20 24.946 2.042 0.921 0.919 1.000 0.895 CB 1.028 20 residues pruned to eliminate duplicates Z: 21 31.901 2.003 1.006 0.921 0.950 0.800 CB 1.315 20 residues pruned to eliminate duplicates Z: 19 34.447 2.100 0.798 0.913 1.000 0.889 CB 1.522 20 residues pruned to eliminate duplicates Z: 17 19.825 1.893 0.881 0.770 0.812 0.500 CB 1.349 17 residues pruned to eliminate duplicates Z: 15 31.769 2.023 0.664 0.903 1.000 0.929 O 1.797 15 residues pruned to eliminate duplicates Z: 18 21.073 1.809 0.760 0.899 0.941 0.765 O 1.219 18 residues pruned to eliminate duplicates Z: 23 28.587 1.992 0.702 0.903 1.000 0.909 CB 1.282 23 residues pruned to eliminate duplicates Z: 22 25.419 1.948 0.487 0.878 1.000 0.762 CB 1.390 22 residues pruned to eliminate duplicates Z: 15 30.754 2.064 1.226 0.908 0.929 0.357 CB 1.368 22 residues pruned to eliminate duplicates Z: 21 26.514 1.917 1.084 0.879 0.950 0.600 CB 1.133 19 residues pruned to eliminate duplicates Z: 19 24.566 1.939 0.581 0.914 1.000 0.833 CB 1.335 19 residues pruned to eliminate duplicates Z: 14 17.846 1.859 0.640 0.915 0.923 0.692 CB 1.243 14 residues pruned to eliminate duplicates Z: 20 23.365 1.844 0.606 0.882 0.947 0.842 CB 1.383 20 residues pruned to eliminate duplicates Z: 20 19.515 1.851 0.596 0.907 0.947 0.842 CB 1.137 Z: 21 24.870 1.944 1.068 0.888 0.950 0.750 CB 1.049 21 residues pruned to eliminate duplicates Z: 18 25.819 1.793 0.784 0.876 0.941 0.824 CB 1.512 18 residues pruned to eliminate duplicates Z: 13 25.567 2.096 0.616 0.899 0.917 0.833 CB 1.699 13 residues pruned to eliminate duplicates Z: 25 23.696 1.866 0.550 0.925 1.000 0.917 CB 1.173 25 residues pruned to eliminate duplicates Z: 18 15.105 1.760 0.515 0.868 1.000 0.824 CB 1.005 18 residues pruned to eliminate duplicates Z: 16 15.418 1.729 0.319 0.895 1.000 0.800 CB 1.251 16 residues pruned to eliminate duplicates Z: 19 21.334 1.889 0.625 0.832 0.944 0.667 CB 1.302 19 residues pruned to eliminate duplicates Z: 19 22.729 1.957 0.661 0.877 0.944 0.889 CB 1.268 19 residues pruned to eliminate duplicates Z: 20 32.599 2.061 0.974 0.927 0.947 0.895 CB 1.361 20 residues pruned to eliminate duplicates Z: 23 26.516 1.908 0.636 0.890 1.000 0.818 CB 1.303 Z: 21 25.235 1.901 0.646 0.916 0.950 0.750 CB 1.341 21 residues pruned to eliminate duplicates Z: 14 18.203 1.811 0.461 0.879 1.000 0.769 CB 1.384 Z: 16 19.051 1.740 0.652 0.888 1.000 0.867 CB 1.233 15 residues pruned to eliminate duplicates Z: 22 14.119 1.806 0.605 0.494 0.857 0.476 CB 1.248 22 residues pruned to eliminate duplicates Z: 19 24.525 1.920 0.593 0.936 1.000 0.944 CB 1.316 19 residues pruned to eliminate duplicates Z: 20 26.072 2.028 0.688 0.922 0.947 0.895 CB 1.297 20 residues pruned to eliminate duplicates Z: 19 23.601 1.940 0.473 0.943 1.000 0.944 CB 1.350 Z: 21 30.325 1.948 0.916 0.918 1.000 0.800 CB 1.281 21 residues pruned to eliminate duplicates Z: 23 24.134 1.899 0.619 0.844 0.909 0.682 CB 1.370 21 residues pruned to eliminate duplicates Z: 17 26.122 1.919 0.955 0.900 1.000 0.812 CB 1.244 17 residues pruned to eliminate duplicates Z: 19 25.816 2.046 0.660 0.933 0.944 0.889 CB 1.323 19 residues pruned to eliminate duplicates Z: 26 28.628 1.902 0.929 0.908 1.000 0.880 CB 1.109 26 residues pruned to eliminate duplicates Z: 19 23.828 2.022 0.616 0.929 0.944 0.722 CB 1.274 14 residues pruned to eliminate duplicates Z: 22 25.782 1.980 0.679 0.938 0.952 0.857 CB 1.237 19 residues pruned to eliminate duplicates Z: 20 28.557 2.050 0.964 0.917 0.947 0.579 CB 1.212 20 residues pruned to eliminate duplicates Z: 22 30.428 1.943 0.851 0.927 1.000 0.810 CB 1.294 23 residues pruned to eliminate duplicates Z: 19 19.103 1.960 0.999 0.943 1.000 0.667 CB 0.796 18 residues pruned to eliminate duplicates Z: 20 32.063 2.015 0.773 0.839 1.000 0.789 CB 1.538 20 residues pruned to eliminate duplicates Z: 23 25.449 1.912 0.674 0.857 0.909 0.364 CB 1.375 23 residues pruned to eliminate duplicates Z: 22 21.695 1.910 0.441 0.899 1.000 0.857 CB 1.229 Z: 23 24.871 1.883 0.469 0.879 1.000 0.773 CB 1.390 23 residues pruned to eliminate duplicates Z: 12 19.093 2.009 0.640 0.921 1.000 1.000 CB 1.230 12 residues pruned to eliminate duplicates Z: 21 26.200 1.969 0.557 0.902 1.000 0.800 CB 1.364 20 residues pruned to eliminate duplicates Z: 18 23.122 1.959 0.618 0.905 1.000 0.824 CB 1.260 18 residues pruned to eliminate duplicates Z: 19 25.040 1.991 0.768 0.911 1.000 0.833 CB 1.188 19 residues pruned to eliminate duplicates Z: 22 27.282 1.999 0.696 0.898 0.952 0.857 CB 1.318 22 residues pruned to eliminate duplicates Z: 18 23.719 1.918 0.648 0.890 0.941 0.765 CB 1.391 18 residues pruned to eliminate duplicates Z: 19 17.983 1.892 0.605 0.927 0.944 0.889 CB 1.036 19 residues pruned to eliminate duplicates Z: 19 19.461 1.879 0.492 0.900 0.944 0.722 CB 1.237 Z: 19 24.798 1.808 0.689 0.899 0.944 0.833 CB 1.450 Z: 18 16.507 1.733 0.514 0.875 0.941 0.765 CB 1.179 17 residues pruned to eliminate duplicates Z: 21 22.513 1.869 0.660 0.920 0.950 0.850 CB 1.202 21 residues pruned to eliminate duplicates Z: 22 25.931 1.958 0.644 0.887 0.905 0.810 CB 1.401 22 residues pruned to eliminate duplicates Z: 22 26.469 1.982 0.507 0.890 0.952 0.810 CB 1.461 22 residues pruned to eliminate duplicates Z: 22 21.318 1.860 0.513 0.900 0.952 0.857 CB 1.240 21 residues pruned to eliminate duplicates Z: 41 35.054 1.971 0.829 0.841 0.950 0.750 CB 1.206 43 residues pruned to eliminate duplicates Z: 18 27.630 1.996 0.739 0.915 1.000 0.882 CB 1.364 19 residues pruned to eliminate duplicates Z: 15 14.440 1.788 0.569 0.922 1.000 1.000 CB 0.968 15 residues pruned to eliminate duplicates Z: 16 11.015 1.689 0.599 0.896 0.933 0.867 CB 0.808 Z: 15 20.738 1.834 0.632 0.890 1.000 0.786 CB 1.333 14 residues pruned to eliminate duplicates Z: 23 23.960 1.912 0.692 0.911 1.000 0.818 CB 1.119 23 residues pruned to eliminate duplicates Z: 21 21.655 1.939 0.697 0.919 0.900 0.750 CB 1.152 21 residues pruned to eliminate duplicates Z: 18 18.525 1.748 0.622 0.913 1.000 0.941 CB 1.122 Z: 16 22.682 1.878 0.602 0.918 1.000 1.000 CB 1.372 Z: 24 28.909 1.913 0.740 0.936 1.000 0.913 CB 1.261 24 residues pruned to eliminate duplicates Z: 20 23.582 1.898 0.810 0.916 1.000 0.842 CB 1.112 19 residues pruned to eliminate duplicates Z: 20 20.108 1.906 0.568 0.887 1.000 0.684 CB 1.113 20 residues pruned to eliminate duplicates Z: 18 23.778 1.895 0.736 0.834 0.941 0.706 CB 1.397 18 residues pruned to eliminate duplicates Z: 17 15.075 1.806 0.553 0.812 0.938 0.688 CB 1.092 16 residues pruned to eliminate duplicates Z: 19 24.172 1.854 0.629 0.882 1.000 0.722 CB 1.366 Z: 24 30.456 1.978 0.978 0.929 0.957 0.870 CB 1.187 24 residues pruned to eliminate duplicates Z: 15 23.990 1.846 0.634 0.933 1.000 0.857 CB 1.484 15 residues pruned to eliminate duplicates Z: 23 27.482 1.933 0.658 0.901 1.000 0.818 CB 1.304 23 residues pruned to eliminate duplicates Z: 20 25.048 1.912 0.601 0.927 1.000 0.895 CB 1.316 20 residues pruned to eliminate duplicates Z: 21 17.749 1.977 0.400 0.912 1.000 0.900 CB 1.016 21 residues pruned to eliminate duplicates Z: 23 27.125 1.890 0.534 0.883 1.000 0.773 CB 1.442 22 residues pruned to eliminate duplicates Z: 17 27.881 2.023 0.783 0.927 0.938 0.812 CB 1.444 17 residues pruned to eliminate duplicates Z: 13 22.635 2.032 1.007 0.880 1.000 0.583 CB 1.161 13 residues pruned to eliminate duplicates Z: 21 25.236 1.940 0.845 0.912 0.900 0.700 CB 1.240 21 residues pruned to eliminate duplicates Z: 20 26.734 1.989 0.710 0.930 1.000 0.842 CB 1.261 20 residues pruned to eliminate duplicates Z: 14 22.805 1.914 0.688 0.891 0.923 0.846 CB 1.525 15 residues pruned to eliminate duplicates Z: 20 19.454 1.866 0.624 0.854 0.947 0.842 CB 1.148 20 residues pruned to eliminate duplicates Z: 16 16.278 1.858 0.392 0.865 1.000 0.733 CB 1.190 16 residues pruned to eliminate duplicates Z: 21 22.603 1.972 0.523 0.927 1.000 0.900 CB 1.179 21 residues pruned to eliminate duplicates Z: 19 24.058 2.028 0.710 0.899 0.944 0.778 CB 1.238 19 residues pruned to eliminate duplicates Z: 20 32.841 2.043 0.981 0.950 0.947 0.895 CB 1.355 20 residues pruned to eliminate duplicates Z: 24 29.927 1.997 0.795 0.907 1.000 0.870 CB 1.237 24 residues pruned to eliminate duplicates Z: 22 24.487 1.978 0.663 0.902 0.952 0.857 CB 1.216 22 residues pruned to eliminate duplicates Z: 21 28.150 1.954 0.843 0.937 0.950 0.850 CB 1.280 21 residues pruned to eliminate duplicates Z: 19 19.062 1.897 0.485 0.908 1.000 0.889 CB 1.133 Z: 23 22.402 1.906 0.769 0.887 0.955 0.682 CB 1.070 23 residues pruned to eliminate duplicates Z: 8 13.557 1.892 0.498 0.817 1.000 0.714 CB 1.373 Z: 17 18.591 1.928 0.615 0.899 1.000 0.938 CB 1.067 18 residues pruned to eliminate duplicates Z: 18 21.724 2.068 0.817 0.919 0.941 0.588 CB 1.050 18 residues pruned to eliminate duplicates Z: 19 26.583 2.052 0.684 0.918 0.944 0.889 CB 1.353 19 residues pruned to eliminate duplicates Z: 17 24.422 1.807 0.956 0.861 1.000 0.500 CB 1.269 17 residues pruned to eliminate duplicates Z: 19 28.504 1.933 0.899 0.871 1.000 0.778 CB 1.335 20 residues pruned to eliminate duplicates Z: 13 20.859 2.100 0.783 0.876 0.917 0.750 CB 1.275 13 residues pruned to eliminate duplicates Z: 18 21.400 1.909 0.435 0.895 1.000 0.882 CB 1.358 Z: 22 29.112 1.939 0.958 0.876 0.952 0.762 CB 1.276 23 residues pruned to eliminate duplicates Z: 12 14.432 1.661 0.867 0.828 0.909 0.818 CB 1.163 Z: 17 14.369 1.726 0.479 0.874 0.938 0.938 CB 1.092 Z: 20 18.893 1.960 0.379 0.911 1.000 0.842 CB 1.137 20 residues pruned to eliminate duplicates Z: 22 24.458 1.944 0.642 0.904 0.905 0.857 CB 1.317 22 residues pruned to eliminate duplicates Z: 13 10.930 1.747 0.452 0.769 0.750 0.417 CB 1.307 12 residues pruned to eliminate duplicates Z: 18 20.045 1.817 0.896 0.919 1.000 0.706 CB 0.995 Z: 10 11.477 1.886 0.720 0.904 1.000 0.778 CB 0.839 Z: 20 31.216 2.022 0.825 0.874 0.947 0.737 CB 1.490 20 residues pruned to eliminate duplicates Z: 19 16.649 1.850 0.615 0.919 1.000 0.889 CB 0.925 10 residues pruned to eliminate duplicates Z: 17 30.913 2.043 0.896 0.922 0.938 0.812 CB 1.497 18 residues pruned to eliminate duplicates Z: 17 28.435 1.920 0.985 0.840 0.938 0.812 CB 1.485 17 residues pruned to eliminate duplicates Z: 16 18.930 1.762 0.602 0.921 1.000 0.933 CB 1.218 Z: 18 15.635 2.072 0.716 0.910 1.000 0.765 CB 0.756 18 residues pruned to eliminate duplicates Z: 23 22.890 2.003 0.674 0.867 0.955 0.727 CB 1.115 23 residues pruned to eliminate duplicates Z: 18 24.935 1.984 0.633 0.897 1.000 0.882 CB 1.336 18 residues pruned to eliminate duplicates Z: 16 19.508 1.833 1.197 0.914 0.800 0.400 CB 1.106 15 residues pruned to eliminate duplicates Z: 20 32.460 2.039 0.978 0.920 0.947 0.895 CB 1.373 20 residues pruned to eliminate duplicates Z: 20 17.661 1.887 0.624 0.864 0.895 0.842 CB 1.084 20 residues pruned to eliminate duplicates Z: 22 30.252 1.961 0.824 0.922 1.000 0.905 CB 1.297 22 residues pruned to eliminate duplicates Z: 20 24.574 1.881 0.679 0.903 0.947 0.895 CB 1.342 19 residues pruned to eliminate duplicates Z: 12 21.315 1.937 0.783 0.895 0.909 0.909 CB 1.468 12 residues pruned to eliminate duplicates Z: 17 17.234 1.728 0.493 0.852 1.000 0.750 CB 1.235 Z: 17 15.342 1.780 0.344 0.908 1.000 0.875 CB 1.139 17 residues pruned to eliminate duplicates Z: 26 23.635 1.913 0.667 0.792 0.880 0.760 CB 1.303 26 residues pruned to eliminate duplicates Z: 13 15.352 1.829 0.358 0.903 0.917 0.833 O 1.387 13 residues pruned to eliminate duplicates Z: 15 20.461 1.807 0.507 0.887 1.000 0.857 CB 1.448 14 residues pruned to eliminate duplicates Z: 21 18.719 1.802 0.698 0.901 0.950 0.900 CB 1.028 21 residues pruned to eliminate duplicates Z: 24 13.807 1.799 0.817 0.631 0.826 0.739 CB 0.942 24 residues pruned to eliminate duplicates Z: 21 27.469 1.975 0.685 0.926 1.000 0.800 CB 1.295 23 residues pruned to eliminate duplicates Z: 16 16.394 1.796 0.636 0.802 0.933 0.600 CB 1.185 16 residues pruned to eliminate duplicates Z: 23 20.952 1.870 0.543 0.904 0.955 0.727 CB 1.156 23 residues pruned to eliminate duplicates Z: 20 18.558 1.862 0.466 0.838 0.895 0.737 CB 1.302 19 residues pruned to eliminate duplicates Z: 22 29.380 1.925 0.903 0.939 0.952 0.762 CB 1.277 22 residues pruned to eliminate duplicates Z: 24 29.538 1.966 0.922 0.889 0.957 0.696 CB 1.227 24 residues pruned to eliminate duplicates Z: 19 25.795 1.834 0.662 0.869 1.000 0.778 CB 1.457 19 residues pruned to eliminate duplicates Z: 18 32.991 2.002 1.073 0.912 0.941 0.529 CB 1.450 18 residues pruned to eliminate duplicates Z: 18 26.916 1.923 0.596 0.917 1.000 0.941 CB 1.501 17 residues pruned to eliminate duplicates Z: 23 26.743 1.895 0.651 0.905 1.000 0.864 CB 1.298 22 residues pruned to eliminate duplicates Z: 16 27.410 2.068 1.284 0.931 0.933 0.667 CB 1.122 18 residues pruned to eliminate duplicates Z: 17 15.534 1.671 0.448 0.912 0.938 0.875 CB 1.213 17 residues pruned to eliminate duplicates Z: 22 21.064 1.917 0.567 0.919 0.952 0.810 CB 1.132 22 residues pruned to eliminate duplicates Z: 10 8.196 1.759 0.095 0.800 1.000 0.889 CB 1.091 10 residues pruned to eliminate duplicates Z: 21 30.196 2.012 0.841 0.899 1.000 0.750 CB 1.303 21 residues pruned to eliminate duplicates Z: 21 23.941 1.924 0.628 0.870 0.950 0.650 CB 1.313 21 residues pruned to eliminate duplicates Z: 22 26.471 1.956 0.849 0.897 0.905 0.810 CB 1.263 22 residues pruned to eliminate duplicates Z: 17 21.179 2.002 1.066 0.862 0.938 0.625 CB 1.002 17 residues pruned to eliminate duplicates Z: 19 26.069 1.978 0.572 0.933 1.000 0.889 CB 1.378 19 residues pruned to eliminate duplicates Z: 15 33.723 2.066 0.908 0.897 1.000 0.929 CB 1.636 15 residues pruned to eliminate duplicates Z: 21 19.374 1.925 0.732 0.853 0.850 0.700 CB 1.130 21 residues pruned to eliminate duplicates Z: 18 16.004 1.869 0.159 0.896 1.000 0.941 CB 1.283 18 residues pruned to eliminate duplicates Z: 40 27.561 1.890 0.641 0.788 0.821 0.718 CB 1.347 41 residues pruned to eliminate duplicates Z: 20 21.349 1.876 0.515 0.852 0.947 0.895 CB 1.345 18 residues pruned to eliminate duplicates Z: 19 21.442 1.901 0.618 0.880 0.944 0.722 CB 1.261 20 residues pruned to eliminate duplicates Z: 20 16.480 1.817 0.349 0.813 0.895 0.684 CB 1.312 20 residues pruned to eliminate duplicates Z: 13 12.535 1.957 0.560 0.917 1.000 0.833 CB 0.837 13 residues pruned to eliminate duplicates Z: 19 20.653 1.892 0.444 0.893 1.000 0.833 CB 1.279 18 residues pruned to eliminate duplicates Z: 18 25.432 1.977 0.626 0.879 1.000 0.765 CB 1.391 20 residues pruned to eliminate duplicates Z: 18 31.615 1.859 0.948 0.889 1.000 0.882 CB 1.525 17 residues pruned to eliminate duplicates Z: 22 24.278 1.916 0.691 0.940 1.000 1.000 CB 1.135 22 residues pruned to eliminate duplicates Z: 22 24.608 1.978 0.714 0.892 0.952 0.857 CB 1.195 22 residues pruned to eliminate duplicates Z: 18 19.632 1.900 0.730 0.889 0.941 0.706 CB 1.108 18 residues pruned to eliminate duplicates Z: 19 18.283 1.878 0.340 0.839 1.000 0.778 CB 1.279 19 residues pruned to eliminate duplicates Z: 19 18.210 1.819 0.298 0.900 1.000 0.833 CB 1.299 19 residues pruned to eliminate duplicates Z: 15 19.020 1.777 0.621 0.830 0.929 0.857 CB 1.429 15 residues pruned to eliminate duplicates Z: 20 25.123 1.780 0.701 0.888 1.000 0.684 CB 1.372 19 residues pruned to eliminate duplicates Z: 20 25.893 1.912 0.615 0.923 0.947 0.842 CB 1.426 20 residues pruned to eliminate duplicates Z: 20 20.625 1.831 0.621 0.925 0.947 0.895 CB 1.180 19 residues pruned to eliminate duplicates Z: 21 27.994 1.922 0.764 0.907 1.000 0.800 CB 1.313 21 residues pruned to eliminate duplicates Z: 19 18.009 1.864 0.466 0.869 0.944 0.889 CB 1.202 19 residues pruned to eliminate duplicates Z: 17 21.374 2.030 0.594 0.779 1.000 0.750 CB 1.291 17 residues pruned to eliminate duplicates Z: 17 20.522 1.971 0.755 0.807 0.938 0.875 CB 1.210 17 residues pruned to eliminate duplicates Z: 17 18.957 1.851 0.410 0.852 1.000 0.812 CB 1.343 8 residues pruned to eliminate duplicates Z: 17 21.421 1.887 0.558 0.897 1.000 0.750 CB 1.304 17 residues pruned to eliminate duplicates Z: 18 19.015 1.913 0.312 0.910 1.000 0.941 CB 1.303 18 residues pruned to eliminate duplicates Z: 17 15.081 1.651 0.393 0.878 1.000 0.875 CB 1.189 16 residues pruned to eliminate duplicates Z: 16 14.143 1.855 0.641 0.930 1.000 1.000 CB 0.839 Z: 18 19.892 1.879 0.379 0.888 1.000 0.765 CB 1.342 18 residues pruned to eliminate duplicates Z: 24 20.559 1.877 0.692 0.840 0.957 0.870 CB 1.053 24 residues pruned to eliminate duplicates Z: 19 20.154 1.898 0.358 0.890 1.000 0.889 CB 1.327 19 residues pruned to eliminate duplicates Z: 19 20.139 1.775 0.799 0.847 0.889 0.556 CB 1.241 18 residues pruned to eliminate duplicates Z: 22 31.680 2.002 0.855 0.900 1.000 0.810 CB 1.329 22 residues pruned to eliminate duplicates Z: 17 18.510 1.909 0.539 0.891 0.938 0.875 CB 1.208 17 residues pruned to eliminate duplicates Z: 19 14.372 1.843 0.220 0.867 0.889 0.722 CB 1.240 19 residues pruned to eliminate duplicates Z: 19 17.886 1.829 0.593 0.875 1.000 0.833 CB 1.052 19 residues pruned to eliminate duplicates Z: 25 22.556 1.896 0.536 0.850 1.000 0.750 CB 1.170 25 residues pruned to eliminate duplicates Z: 6 4.313 1.827 0.676 0.691 1.000 0.800 CB 0.529 Z: 20 31.953 2.018 0.654 0.897 1.000 0.947 CB 1.573 19 residues pruned to eliminate duplicates Z: 16 14.711 1.656 0.510 0.829 0.933 0.667 CB 1.225 16 residues pruned to eliminate duplicates Z: 16 24.495 1.866 0.741 0.915 1.000 0.800 CB 1.376 16 residues pruned to eliminate duplicates Z: 8 4.853 1.538 0.738 0.667 0.857 0.571 CB 0.686 8 residues pruned to eliminate duplicates Z: 23 24.344 1.830 0.702 0.906 0.955 0.773 CB 1.242 23 residues pruned to eliminate duplicates Z: 20 19.075 1.962 0.709 0.902 1.000 0.842 CB 0.931 20 residues pruned to eliminate duplicates Z: 19 15.321 1.857 0.057 0.903 1.000 0.889 CB 1.312 19 residues pruned to eliminate duplicates Z: 18 13.743 1.702 0.545 0.933 1.000 0.941 CB 0.885 16 residues pruned to eliminate duplicates Z: 14 14.145 1.725 0.598 0.819 0.923 0.923 CB 1.170 14 residues pruned to eliminate duplicates Z: 18 24.328 1.903 0.701 0.910 1.000 0.529 CB 1.293 19 residues pruned to eliminate duplicates Z: 14 20.931 2.040 0.568 0.915 1.000 0.923 CB 1.283 14 residues pruned to eliminate duplicates Z: 18 21.058 1.940 0.535 0.864 1.000 0.706 CB 1.258 18 residues pruned to eliminate duplicates Z: 9 13.425 1.945 0.833 0.865 1.000 0.875 CB 0.976 9 residues pruned to eliminate duplicates Z: 16 13.762 1.695 0.533 0.838 0.867 0.800 CB 1.180 16 residues pruned to eliminate duplicates Z: 13 17.197 1.815 0.616 0.871 0.917 0.833 CB 1.346 12 residues pruned to eliminate duplicates Z: 22 23.396 1.898 0.699 0.910 1.000 0.857 CB 1.123 20 residues pruned to eliminate duplicates Z: 46 34.788 1.892 0.830 0.786 0.911 0.644 CB 1.278 46 residues pruned to eliminate duplicates Z: 19 19.421 1.791 0.726 0.894 0.889 0.611 CB 1.195 19 residues pruned to eliminate duplicates Z: 16 24.446 1.828 0.715 0.936 1.000 0.933 CB 1.402 16 residues pruned to eliminate duplicates Z: 18 23.600 1.839 0.891 0.884 0.941 0.882 CB 1.263 18 residues pruned to eliminate duplicates Z: 17 19.847 1.952 0.602 0.858 0.875 0.750 CB 1.336 17 residues pruned to eliminate duplicates Z: 19 25.253 1.915 0.751 0.924 1.000 0.889 CB 1.247 19 residues pruned to eliminate duplicates Z: 17 19.343 1.757 0.519 0.896 0.938 0.875 CB 1.384 17 residues pruned to eliminate duplicates Z: 16 16.644 1.896 0.405 0.881 1.000 0.800 CB 1.168 16 residues pruned to eliminate duplicates Z: 19 15.073 1.837 0.159 0.885 0.944 0.778 CB 1.276 19 residues pruned to eliminate duplicates Z: 20 25.208 2.083 0.612 0.924 1.000 0.895 CB 1.210 20 residues pruned to eliminate duplicates Z: 19 23.732 1.828 1.013 0.900 0.944 0.444 CB 1.150 19 residues pruned to eliminate duplicates Z: 15 19.539 1.762 0.796 0.905 1.000 0.714 CB 1.174 16 residues pruned to eliminate duplicates Z: 20 21.384 1.858 0.353 0.895 1.000 0.895 CB 1.399 20 residues pruned to eliminate duplicates Z: 20 28.116 1.878 0.817 0.901 1.000 0.684 CB 1.349 20 residues pruned to eliminate duplicates Z: 20 17.916 1.705 0.258 0.940 1.000 0.895 CB 1.331 18 residues pruned to eliminate duplicates Z: 20 22.083 1.807 0.756 0.892 0.947 0.474 CB 1.211 21 residues pruned to eliminate duplicates Z: 20 23.661 1.847 0.735 0.925 0.947 0.895 CB 1.254 20 residues pruned to eliminate duplicates Z: 21 27.509 1.959 1.009 0.906 1.000 0.350 CB 1.111 21 residues pruned to eliminate duplicates Z: 12 12.930 1.949 0.270 0.911 1.000 1.000 CB 1.116 12 residues pruned to eliminate duplicates Z: 21 23.851 1.821 0.713 0.904 0.950 0.700 CB 1.281 21 residues pruned to eliminate duplicates Z: 15 24.506 1.851 0.806 0.896 1.000 0.929 CB 1.403 15 residues pruned to eliminate duplicates Z: 20 25.813 1.872 0.725 0.901 0.947 0.789 CB 1.382 20 residues pruned to eliminate duplicates Z: 23 28.482 1.906 0.708 0.882 0.955 0.818 CB 1.413 23 residues pruned to eliminate duplicates Z: 19 23.020 1.846 0.636 0.881 0.944 0.833 CB 1.377 19 residues pruned to eliminate duplicates Z: 18 21.005 1.854 0.537 0.879 1.000 0.941 CB 1.296 Z: 20 19.808 1.823 0.929 0.925 1.000 0.789 CB 0.907 18 residues pruned to eliminate duplicates Z: 18 16.583 1.846 0.316 0.826 0.941 0.765 CB 1.327 18 residues pruned to eliminate duplicates Z: 19 20.049 1.810 0.657 0.894 0.889 0.556 CB 1.271 18 residues pruned to eliminate duplicates Z: 16 17.510 2.071 0.658 0.633 0.933 0.733 CB 1.246 16 residues pruned to eliminate duplicates 7 1.731 1.662 0.318 0.893 1.000 1.000 CB 0.232 ? Z: 16 15.826 1.882 0.262 0.916 1.000 0.800 CB 1.215 16 residues pruned to eliminate duplicates Z: 22 17.766 1.780 0.382 0.737 0.952 0.714 CB 1.337 22 residues pruned to eliminate duplicates Z: 10 5.267 1.861 1.106 0.885 1.000 0.778 CB 0.323 Z: 18 22.106 1.936 0.561 0.921 0.941 0.882 CB 1.327 18 residues pruned to eliminate duplicates Z: 10 4.647 1.687 0.783 0.398 0.667 0.556 CB 0.861 Z: 22 27.115 1.930 0.703 0.898 1.000 0.810 CB 1.287 22 residues pruned to eliminate duplicates Z: 9 3.333 1.522 0.123 0.445 0.750 0.500 CB 0.973 Z: 12 15.513 1.832 0.797 0.894 1.000 0.818 CB 1.020 12 residues pruned to eliminate duplicates Z: 7 8.180 1.656 0.703 0.818 1.000 1.000 CB 0.899 7 residues pruned to eliminate duplicates Z: 14 14.814 1.803 0.922 0.655 0.769 0.692 CB 1.334 14 residues pruned to eliminate duplicates Z: 18 28.994 1.954 0.784 0.931 1.000 0.882 CB 1.410 18 residues pruned to eliminate duplicates Z: 21 20.128 1.940 0.665 0.858 0.950 0.800 CB 1.080 21 residues pruned to eliminate duplicates Z: 12 16.124 1.861 0.697 0.888 1.000 0.818 CB 1.109 12 residues pruned to eliminate duplicates Z: 23 20.735 1.882 0.503 0.876 0.955 0.818 CB 1.190 23 residues pruned to eliminate duplicates Z: 18 17.414 1.812 0.654 0.902 0.941 0.647 CB 1.068 18 residues pruned to eliminate duplicates Z: 16 12.631 1.802 0.203 0.747 0.933 0.933 CB 1.292 16 residues pruned to eliminate duplicates Z: 20 24.133 2.050 0.985 0.909 0.947 0.684 CB 1.019 20 residues pruned to eliminate duplicates Z: 17 27.034 2.082 0.725 0.904 1.000 0.688 CB 1.341 17 residues pruned to eliminate duplicates Z: 15 21.486 1.782 0.639 0.916 1.000 0.929 CB 1.389 15 residues pruned to eliminate duplicates Z: 18 16.153 1.884 0.608 0.881 0.882 0.529 CB 1.062 18 residues pruned to eliminate duplicates Z: 16 23.898 1.978 0.855 0.853 0.867 0.733 CB 1.433 16 residues pruned to eliminate duplicates Z: 19 16.853 1.709 0.969 0.920 1.000 0.944 CB 0.831 18 residues pruned to eliminate duplicates Z: 6 4.660 1.540 0.307 0.592 0.800 0.600 CB 1.186 Z: 15 20.647 1.814 0.573 0.903 1.000 0.857 CB 1.378 15 residues pruned to eliminate duplicates Z: 11 13.582 1.871 0.901 0.871 1.000 0.700 CB 0.881 10 residues pruned to eliminate duplicates Z: 13 15.968 1.795 0.751 0.903 1.000 0.917 CB 1.045 13 residues pruned to eliminate duplicates Z: 17 18.296 1.762 0.721 0.838 0.938 0.688 CB 1.203 17 residues pruned to eliminate duplicates Z: 13 15.565 1.818 0.880 0.903 1.000 0.500 CB 0.938 13 residues pruned to eliminate duplicates Z: 23 26.223 1.913 0.744 0.926 0.955 0.864 CB 1.230 23 residues pruned to eliminate duplicates Z: 22 25.481 1.996 0.668 0.921 0.905 0.857 CB 1.299 22 residues pruned to eliminate duplicates Z: 23 21.312 1.914 0.696 0.911 0.955 0.682 CB 1.039 23 residues pruned to eliminate duplicates Z: 19 18.335 1.809 0.583 0.883 0.944 0.667 CB 1.155 19 residues pruned to eliminate duplicates Z: 18 28.665 1.900 0.774 0.921 1.000 0.941 CB 1.451 18 residues pruned to eliminate duplicates Z: 20 23.904 1.890 0.684 0.892 1.000 0.737 CB 1.238 20 residues pruned to eliminate duplicates Z: 22 15.799 1.724 0.800 0.846 0.905 0.619 CB 0.912 22 residues pruned to eliminate duplicates Z: 17 16.098 1.752 0.441 0.843 1.000 0.688 CB 1.187 17 residues pruned to eliminate duplicates Z: 7 2.616 1.529 0.629 0.247 0.667 0.333 CB 0.862 Z: 18 30.099 2.055 0.968 0.941 1.000 0.882 CB 1.253 18 residues pruned to eliminate duplicates Z: 24 26.117 1.927 0.674 0.882 1.000 0.870 CB 1.222 24 residues pruned to eliminate duplicates Z: 21 13.150 1.532 0.409 0.849 0.900 0.650 CB 1.122 19 residues pruned to eliminate duplicates Z: 15 13.653 2.027 0.250 0.914 0.929 0.929 CB 1.097 15 residues pruned to eliminate duplicates Z: 16 21.548 1.813 0.510 0.881 1.000 0.867 CB 1.472 16 residues pruned to eliminate duplicates Z: 7 4.461 1.632 0.691 0.798 0.833 0.500 CB 0.610 Z: 17 22.889 1.885 0.707 0.904 1.000 0.812 CB 1.266 17 residues pruned to eliminate duplicates Z: 7 3.215 1.671 0.667 0.255 0.500 0.500 CB 1.248 Z: 20 27.822 1.994 0.893 0.930 1.000 0.842 CB 1.182 20 residues pruned to eliminate duplicates Z: 19 28.621 1.988 1.046 0.901 0.889 0.333 CB 1.332 19 residues pruned to eliminate duplicates Z: 7 7.817 1.605 0.044 0.857 1.000 1.000 C 1.404 7 residues pruned to eliminate duplicates Z: 19 14.137 1.737 0.790 0.838 0.889 0.556 CB 0.902 19 residues pruned to eliminate duplicates Z: 18 19.675 1.969 0.433 0.903 1.000 0.882 CB 1.206 18 residues pruned to eliminate duplicates Z: 17 18.181 1.733 0.609 0.876 1.000 0.812 CB 1.185 17 residues pruned to eliminate duplicates Z: 19 24.942 1.864 0.736 0.905 0.944 0.667 CB 1.369 19 residues pruned to eliminate duplicates Z: 15 17.646 1.788 0.611 0.900 1.000 0.786 CB 1.170 15 residues pruned to eliminate duplicates Z: 21 19.368 2.006 0.485 0.880 0.950 0.800 CB 1.109 21 residues pruned to eliminate duplicates Z: 18 26.599 1.811 0.836 0.914 0.941 0.529 CB 1.458 18 residues pruned to eliminate duplicates Z: 16 25.158 1.796 0.765 0.921 1.000 0.867 CB 1.442 16 residues pruned to eliminate duplicates Z: 19 22.031 1.821 0.478 0.907 0.944 0.944 CB 1.452 19 residues pruned to eliminate duplicates Z: 15 11.587 1.563 0.364 0.911 1.000 0.929 CB 1.029 15 residues pruned to eliminate duplicates Z: 6 2.545 1.393 0.446 0.468 0.800 0.600 N 0.730 Z: 9 5.843 1.688 0.300 0.788 1.000 0.875 CB 0.731 Z: 16 18.922 1.872 0.453 0.904 1.000 0.933 CB 1.279 16 residues pruned to eliminate duplicates Z: 11 19.134 1.898 0.914 0.905 0.900 0.700 CB 1.317 11 residues pruned to eliminate duplicates Z: 18 19.161 1.822 0.616 0.868 1.000 0.824 CB 1.154 18 residues pruned to eliminate duplicates Z: 20 23.062 1.965 1.136 0.900 0.947 0.684 CB 0.950 20 residues pruned to eliminate duplicates Z: 20 25.191 1.870 0.571 0.927 1.000 0.895 CB 1.378 20 residues pruned to eliminate duplicates Z: 20 28.285 2.018 0.878 0.943 1.000 0.737 CB 1.186 20 residues pruned to eliminate duplicates Z: 12 9.393 1.815 0.782 0.890 1.000 0.727 CB 0.630 9 residues pruned to eliminate duplicates Z: 20 27.171 2.041 0.761 0.925 1.000 0.474 CB 1.217 22 residues pruned to eliminate duplicates Z: 12 16.651 1.834 1.035 0.866 1.000 0.909 CB 0.985 12 residues pruned to eliminate duplicates Z: 8 4.723 1.766 0.390 0.378 1.000 0.714 CB 0.829 Z: 24 21.328 1.768 0.655 0.896 0.957 0.783 CB 1.138 24 residues pruned to eliminate duplicates Z: 17 17.894 1.871 0.293 0.825 1.000 0.875 CB 1.396 17 residues pruned to eliminate duplicates Z: 6 8.018 1.743 0.573 0.720 1.000 0.600 CB 1.072 Z: 23 21.518 1.844 0.382 0.911 0.955 0.909 CB 1.337 23 residues pruned to eliminate duplicates Z: 21 26.839 1.892 0.735 0.938 0.950 0.800 CB 1.338 21 residues pruned to eliminate duplicates Z: 20 21.540 1.992 0.420 0.850 0.895 0.684 CB 1.447 20 residues pruned to eliminate duplicates Z: 18 22.198 1.852 0.804 0.864 1.000 0.529 CB 1.181 18 residues pruned to eliminate duplicates Z: 15 18.195 1.793 0.634 0.847 0.929 0.500 CB 1.327 15 residues pruned to eliminate duplicates Z: 14 17.450 1.835 0.307 0.880 1.000 0.846 O 1.462 14 residues pruned to eliminate duplicates Z: 18 17.878 1.893 0.516 0.907 1.000 0.824 CB 1.074 18 residues pruned to eliminate duplicates Z: 24 22.630 1.897 0.492 0.949 1.000 1.000 CB 1.151 24 residues pruned to eliminate duplicates Z: 19 19.440 1.871 0.848 0.926 1.000 0.722 CB 0.930 19 residues pruned to eliminate duplicates Z: 19 26.562 1.813 0.865 0.915 1.000 0.944 CB 1.308 19 residues pruned to eliminate duplicates Z: 22 21.737 1.844 0.519 0.902 1.000 0.952 CB 1.207 22 residues pruned to eliminate duplicates Z: 19 16.858 1.569 1.203 0.864 0.889 0.389 CB 0.949 19 residues pruned to eliminate duplicates Z: 19 19.269 1.702 0.749 0.842 1.000 0.722 CB 1.137 19 residues pruned to eliminate duplicates 6 1.578 1.645 0.489 0.468 0.800 0.600 CB 0.372 ? Z: 19 21.792 1.951 1.302 0.912 1.000 0.667 CB 0.810 19 residues pruned to eliminate duplicates Z: 19 24.911 1.919 0.972 0.913 1.000 0.944 CB 1.098 20 residues pruned to eliminate duplicates Z: 7 5.830 1.789 0.631 0.703 1.000 1.000 CB 0.678 Z: 19 21.437 1.980 1.144 0.946 0.944 0.667 CB 0.872 19 residues pruned to eliminate duplicates Z: 7 4.255 1.701 0.304 0.260 0.833 0.667 CB 1.237 6 1.587 1.235 0.541 0.318 0.600 0.400 N 0.760 ? Z: 21 16.123 1.743 0.622 0.935 1.000 1.000 CB 0.888 20 residues pruned to eliminate duplicates Z: 19 17.981 1.796 0.371 0.924 0.944 0.944 CB 1.280 19 residues pruned to eliminate duplicates Z: 11 6.759 1.786 0.230 0.604 0.900 0.800 CB 0.979 11 residues pruned to eliminate duplicates Z: 19 17.141 1.861 1.003 0.903 0.944 0.722 CB 0.818 19 residues pruned to eliminate duplicates Z: 7 6.823 1.559 0.513 0.706 0.833 0.833 CB 1.176 8 residues pruned to eliminate duplicates Z: 15 18.873 1.792 0.508 0.897 1.000 1.000 CB 1.337 15 residues pruned to eliminate duplicates Z: 13 16.508 1.724 0.752 0.898 1.000 0.917 CB 1.129 13 residues pruned to eliminate duplicates Z: 21 16.074 1.577 0.502 0.866 1.000 0.850 CB 1.111 21 residues pruned to eliminate duplicates Z: 17 16.816 1.883 0.277 0.904 1.000 0.812 CB 1.246 17 residues pruned to eliminate duplicates Z: 17 17.382 1.724 0.817 0.896 1.000 1.000 CB 0.994 17 residues pruned to eliminate duplicates Z: 19 21.502 1.950 0.548 0.895 0.944 0.778 CB 1.275 19 residues pruned to eliminate duplicates Z: 39 20.440 1.846 0.543 0.675 0.895 0.474 CB 1.107 34 residues pruned to eliminate duplicates Z: 17 20.000 1.750 0.666 0.910 1.000 0.938 CB 1.216 17 residues pruned to eliminate duplicates Z: 19 15.035 1.614 0.445 0.908 0.944 0.833 CB 1.143 19 residues pruned to eliminate duplicates Z: 16 13.564 1.531 0.812 0.851 0.867 0.733 CB 1.078 12 residues pruned to eliminate duplicates Z: 18 18.514 1.919 0.587 0.873 1.000 0.765 CB 1.074 18 residues pruned to eliminate duplicates Z: 18 25.773 1.878 0.613 0.929 1.000 0.941 CB 1.444 18 residues pruned to eliminate duplicates Z: 17 21.111 1.858 0.809 0.870 0.938 0.812 CB 1.222 17 residues pruned to eliminate duplicates Z: 11 2.622 1.456 0.260 0.284 0.600 0.400 CB 0.961 Z: 17 11.492 1.710 0.379 0.676 0.812 0.812 CB 1.275 17 residues pruned to eliminate duplicates Z: 24 20.132 1.910 0.602 0.887 0.826 0.609 CB 1.197 24 residues pruned to eliminate duplicates Z: 14 8.293 1.410 0.773 0.779 0.846 0.462 CB 0.850 14 residues pruned to eliminate duplicates Z: 19 23.072 1.759 0.875 0.875 0.944 0.444 N 1.270 19 residues pruned to eliminate duplicates Z: 23 13.920 1.729 0.734 0.434 0.864 0.545 CB 1.227 23 residues pruned to eliminate duplicates Z: 10 6.072 1.557 0.790 0.903 1.000 0.889 CB 0.518 Z: 18 14.125 1.772 0.302 0.839 1.000 0.765 CB 1.109 18 residues pruned to eliminate duplicates Z: 14 18.046 1.789 0.682 0.918 0.923 0.692 CB 1.271 14 residues pruned to eliminate duplicates Z: 8 9.017 1.769 0.684 0.882 1.000 1.000 CB 0.828 8 residues pruned to eliminate duplicates Z: 22 19.523 1.814 0.600 0.772 0.952 0.905 CB 1.212 22 residues pruned to eliminate duplicates Z: 8 4.183 1.788 0.466 0.332 1.000 0.571 CB 0.725 Z: 13 15.875 1.853 0.502 0.816 0.917 0.667 CB 1.365 13 residues pruned to eliminate duplicates Z: 22 18.949 1.876 0.537 0.732 0.952 0.667 CB 1.222 23 residues pruned to eliminate duplicates Z: 7 2.127 1.571 -0.043 0.249 0.667 0.667 CB 1.157 Z: 8 3.650 1.437 -0.053 0.596 1.000 0.571 CB 0.925 Z: 18 32.088 1.914 0.905 0.941 1.000 0.941 CB 1.481 18 residues pruned to eliminate duplicates Z: 21 26.586 1.886 0.845 0.927 1.000 0.900 CB 1.197 24 residues pruned to eliminate duplicates Z: 21 17.195 1.853 0.279 0.819 0.950 0.900 CB 1.295 21 residues pruned to eliminate duplicates Z: 18 13.547 1.864 0.544 0.918 1.000 0.824 CB 0.805 18 residues pruned to eliminate duplicates Z: 20 17.355 1.947 0.282 0.887 0.947 0.842 CB 1.214 20 residues pruned to eliminate duplicates Z: 6 2.716 1.624 0.753 0.691 0.600 0.400 CB 0.597 6 residues pruned to eliminate duplicates Z: 19 18.847 1.839 0.445 0.846 0.889 0.722 CB 1.397 19 residues pruned to eliminate duplicates Z: 17 15.856 1.743 0.702 0.862 0.938 0.812 CB 1.047 17 residues pruned to eliminate duplicates Z: 18 25.947 1.947 0.767 0.910 1.000 0.941 CB 1.297 18 residues pruned to eliminate duplicates Z: 20 12.651 2.020 0.446 0.675 0.895 0.737 CB 0.945 20 residues pruned to eliminate duplicates Z: 7 5.854 1.742 0.447 0.383 0.833 0.500 CB 1.288 Z: 9 4.494 1.629 -0.031 0.658 1.000 0.875 CB 0.869 6 residues pruned to eliminate duplicates Z: 18 24.601 1.893 0.825 0.911 1.000 0.765 CB 1.224 17 residues pruned to eliminate duplicates Z: 9 4.888 1.647 0.314 0.353 1.000 0.625 CB 0.936 5 residues pruned to eliminate duplicates Z: 17 17.091 1.925 0.283 0.900 1.000 1.000 CB 1.236 17 residues pruned to eliminate duplicates Z: 9 5.533 1.853 0.409 0.408 1.000 0.750 CB 0.826 Z: 6 4.870 1.751 0.488 0.652 1.000 1.000 CB 0.725 Z: 19 24.777 2.027 0.629 0.916 0.944 0.944 CB 1.322 19 residues pruned to eliminate duplicates Z: 16 17.737 1.761 0.609 0.855 0.867 0.867 CB 1.377 16 residues pruned to eliminate duplicates Z: 22 16.160 1.620 0.868 0.857 0.857 0.762 CB 1.003 22 residues pruned to eliminate duplicates Z: 20 18.524 1.819 1.108 0.716 0.842 0.737 CB 1.082 20 residues pruned to eliminate duplicates Z: 21 28.807 1.905 1.062 0.899 0.950 0.650 CB 1.233 21 residues pruned to eliminate duplicates Z: 9 5.607 1.794 0.440 0.433 0.750 0.750 CB 1.097 18 residues pruned to eliminate duplicates 6 0.654 1.363 0.300 0.293 0.800 0.400 CB 0.260 ? Z: 11 10.067 1.640 1.086 0.881 0.900 0.700 CB 0.748 10 residues pruned to eliminate duplicates Z: 8 12.244 1.683 1.339 0.807 0.857 0.714 O 1.049 8 residues pruned to eliminate duplicates Z: 11 3.469 1.677 0.372 0.223 0.600 0.300 CB 1.099 11 residues pruned to eliminate duplicates Z: 6 2.585 1.354 0.419 0.295 0.800 0.600 N 0.947 Z: 24 19.908 1.865 0.485 0.885 1.000 0.870 CB 1.082 24 residues pruned to eliminate duplicates Z: 19 22.491 1.922 0.571 0.823 1.000 0.833 CB 1.327 19 residues pruned to eliminate duplicates Z: 18 18.685 1.680 0.599 0.878 1.000 0.765 CB 1.224 18 residues pruned to eliminate duplicates Z: 20 25.365 1.823 0.855 0.880 1.000 0.632 CB 1.247 20 residues pruned to eliminate duplicates Z: 14 12.607 1.716 0.538 0.833 0.923 0.462 CB 1.077 14 residues pruned to eliminate duplicates Z: 8 3.882 1.393 0.693 0.486 0.857 0.571 CB 0.736 Z: 7 3.468 1.559 0.075 0.300 0.833 0.333 CB 1.266 5 residues pruned to eliminate duplicates Z: 21 15.854 1.815 0.744 0.695 0.800 0.650 CB 1.172 21 residues pruned to eliminate duplicates Z: 24 30.733 1.985 0.970 0.877 0.957 0.783 CB 1.244 24 residues pruned to eliminate duplicates Z: 18 21.097 1.820 0.577 0.892 1.000 0.824 CB 1.280 18 residues pruned to eliminate duplicates Z: 7 7.002 1.862 0.568 0.888 1.000 0.667 CB 0.705 Z: 15 6.216 1.695 0.252 0.427 0.929 0.429 CB 0.910 Z: 6 5.804 1.763 0.480 0.749 0.800 0.800 CB 0.996 6 residues pruned to eliminate duplicates Z: 6 2.503 1.502 0.209 0.359 0.800 0.600 CB 0.897 Z: 13 17.349 1.694 0.648 0.887 1.000 0.833 CB 1.294 13 residues pruned to eliminate duplicates Z: 19 15.101 1.600 0.679 0.873 0.889 0.500 CB 1.085 19 residues pruned to eliminate duplicates Z: 15 14.829 1.672 0.839 0.839 0.929 0.643 CB 1.036 18 residues pruned to eliminate duplicates Z: 15 18.891 1.607 0.959 0.924 1.000 0.857 CB 1.126 16 residues pruned to eliminate duplicates Z: 19 15.567 1.734 0.831 0.893 0.889 0.722 CB 0.933 19 residues pruned to eliminate duplicates Z: 6 4.385 1.671 0.110 0.827 1.000 1.000 CB 0.797 Z: 11 13.308 1.847 0.820 0.770 0.900 0.800 CB 1.096 13 residues pruned to eliminate duplicates Z: 12 10.818 1.815 0.488 0.825 0.909 0.909 CB 1.002 11 residues pruned to eliminate duplicates Z: 18 18.702 1.778 0.584 0.912 0.941 0.882 CB 1.212 18 residues pruned to eliminate duplicates Z: 11 3.875 1.459 0.298 0.480 0.700 0.400 CB 0.943 11 residues pruned to eliminate duplicates 8 1.961 1.597 0.714 0.264 0.429 0.286 CB 0.827 ? Z: 7 3.723 1.595 0.427 0.237 0.667 0.500 N 1.358 Z: 16 21.850 1.892 0.531 0.939 1.000 0.933 CB 1.354 16 residues pruned to eliminate duplicates Z: 17 7.828 1.539 0.439 0.696 0.938 0.625 CB 0.789 17 residues pruned to eliminate duplicates Z: 15 10.995 1.672 0.832 0.645 0.857 0.857 CB 0.977 15 residues pruned to eliminate duplicates Z: 22 23.201 1.915 0.481 0.912 1.000 0.857 CB 1.264 22 residues pruned to eliminate duplicates Z: 22 30.640 1.890 1.250 0.942 1.000 0.762 CB 1.091 24 residues pruned to eliminate duplicates Z: 20 19.460 1.938 1.135 0.905 0.947 0.947 CB 0.811 20 residues pruned to eliminate duplicates Z: 22 16.898 1.768 0.354 0.931 1.000 0.952 CB 1.077 22 residues pruned to eliminate duplicates Z: 8 6.106 1.730 0.533 0.505 1.000 0.571 CB 0.866 Z: 16 17.483 1.576 0.690 0.907 1.000 0.933 CB 1.205 15 residues pruned to eliminate duplicates Z: 16 14.659 1.868 0.461 0.860 0.933 0.733 CB 1.092 16 residues pruned to eliminate duplicates Z: 10 15.762 1.843 0.607 0.775 1.000 0.889 CB 1.391 10 residues pruned to eliminate duplicates Z: 19 14.105 1.617 0.633 0.855 0.889 0.778 CB 1.046 19 residues pruned to eliminate duplicates Z: 12 4.160 1.467 0.362 0.284 0.727 0.636 CB 1.101 11 residues pruned to eliminate duplicates Z: 7 2.405 1.459 0.310 0.438 0.833 0.833 CB 0.657 Z: 17 27.238 1.952 0.734 0.897 0.938 0.938 CB 1.537 17 residues pruned to eliminate duplicates Z: 6 2.680 1.408 0.335 0.300 0.800 0.400 CB 0.996 Z: 17 23.556 2.003 0.892 0.900 0.875 0.562 CB 1.268 17 residues pruned to eliminate duplicates Z: 8 7.444 1.754 0.834 0.915 1.000 1.000 CB 0.618 8 residues pruned to eliminate duplicates Z: 45 25.991 1.892 0.658 0.679 0.841 0.591 CB 1.260 42 residues pruned to eliminate duplicates Z: 10 8.865 1.697 0.469 0.470 0.889 0.556 N 1.376 Z: 11 6.048 1.698 0.876 0.538 0.700 0.500 CB 0.826 Z: 15 14.796 1.769 0.732 0.933 1.000 1.000 CB 0.901 15 residues pruned to eliminate duplicates Z: 18 23.090 1.828 0.622 0.870 0.941 0.882 CB 1.464 18 residues pruned to eliminate duplicates Z: 6 7.622 1.898 0.422 0.802 1.000 1.000 CB 0.970 7 residues pruned to eliminate duplicates Z: 24 26.172 1.944 1.121 0.916 0.913 0.652 CB 1.024 24 residues pruned to eliminate duplicates Z: 8 2.706 1.088 0.737 0.821 0.857 0.714 CB 0.478 6 0.879 1.639 0.267 0.430 1.000 0.800 CB 0.204 ? Z: 16 22.714 1.843 0.576 0.898 1.000 0.867 CB 1.444 16 residues pruned to eliminate duplicates Z: 21 22.747 1.809 0.788 0.868 0.950 0.800 CB 1.211 21 residues pruned to eliminate duplicates Z: 15 2.736 1.496 0.664 0.148 0.571 0.357 CB 0.792 Z: 20 25.125 2.010 0.626 0.932 0.947 0.947 CB 1.300 20 residues pruned to eliminate duplicates Z: 16 24.153 1.904 0.662 0.926 1.000 0.733 CB 1.382 16 residues pruned to eliminate duplicates Z: 20 17.435 1.831 0.357 0.832 0.947 0.842 CB 1.275 20 residues pruned to eliminate duplicates Z: 18 30.159 1.979 0.990 0.918 0.882 0.647 CB 1.484 18 residues pruned to eliminate duplicates Z: 19 21.396 1.835 0.538 0.803 1.000 0.833 CB 1.371 20 residues pruned to eliminate duplicates Z: 19 9.614 1.839 0.319 0.906 0.944 0.833 CB 0.704 19 residues pruned to eliminate duplicates Z: 25 20.407 1.863 0.839 0.705 0.833 0.375 CB 1.210 25 residues pruned to eliminate duplicates Z: 19 24.479 1.917 0.911 0.913 1.000 0.833 CB 1.115 19 residues pruned to eliminate duplicates Z: 10 11.160 1.712 0.884 0.850 1.000 0.667 CB 0.855 10 residues pruned to eliminate duplicates Z: 19 29.946 1.997 0.760 0.907 0.944 0.833 CB 1.512 19 residues pruned to eliminate duplicates Z: 20 28.123 1.878 0.725 0.929 1.000 0.842 CB 1.393 20 residues pruned to eliminate duplicates Z: 18 13.721 1.810 0.597 0.628 0.824 0.706 CB 1.239 18 residues pruned to eliminate duplicates Z: 6 5.676 1.409 0.473 0.779 1.000 1.000 N 0.957 6 residues pruned to eliminate duplicates Z: 7 4.644 1.680 0.500 0.439 0.667 0.500 N 1.203 Z: 15 23.551 2.004 0.748 0.897 0.929 0.857 CB 1.385 15 residues pruned to eliminate duplicates Z: 19 19.039 1.750 0.647 0.848 0.944 0.889 CB 1.223 19 residues pruned to eliminate duplicates Z: 19 29.650 1.924 0.877 0.921 1.000 0.667 CB 1.362 19 residues pruned to eliminate duplicates Z: 17 17.649 1.554 0.945 0.823 0.875 0.625 CB 1.261 16 residues pruned to eliminate duplicates Z: 18 26.810 1.875 0.893 0.899 1.000 0.765 CB 1.310 18 residues pruned to eliminate duplicates Z: 9 3.631 1.829 0.803 0.863 1.000 0.875 CB 0.286 Z: 17 21.736 1.854 0.741 0.876 1.000 0.812 CB 1.223 18 residues pruned to eliminate duplicates Z: 9 3.424 1.688 0.336 0.383 0.625 0.375 CB 0.973 Z: 20 21.826 1.978 0.560 0.840 0.895 0.737 CB 1.353 20 residues pruned to eliminate duplicates 6 1.702 1.783 0.506 0.433 0.600 0.400 CB 0.506 ? Z: 10 9.257 1.909 1.114 0.750 0.889 0.667 CB 0.688 11 residues pruned to eliminate duplicates Z: 6 3.179 1.609 0.420 0.314 0.600 0.600 N 1.274 Z: 14 6.561 1.500 0.297 0.393 0.846 0.462 CB 1.237 14 residues pruned to eliminate duplicates Z: 6 12.238 1.835 0.743 0.762 1.000 0.600 CB 1.356 6 residues pruned to eliminate duplicates Z: 19 12.685 1.857 0.384 0.903 1.000 0.778 CB 0.830 19 residues pruned to eliminate duplicates Z: 9 3.888 1.693 0.421 0.736 1.000 0.750 CB 0.462 9 residues pruned to eliminate duplicates Z: 9 8.614 1.723 0.141 0.840 1.000 0.625 CB 1.156 8 residues pruned to eliminate duplicates Z: 9 6.578 1.685 0.747 0.912 1.000 1.000 CB 0.559 10 residues pruned to eliminate duplicates Z: 14 17.556 1.875 0.489 0.836 1.000 0.692 CB 1.306 14 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 14 7.567 1.737 0.175 0.712 0.923 0.769 CB 0.919 14 residues pruned to eliminate duplicates Z: 11 9.199 1.623 0.523 0.726 0.900 0.700 CB 1.066 11 residues pruned to eliminate duplicates Z: 15 9.116 1.634 0.685 0.619 0.857 0.643 CB 0.922 14 residues pruned to eliminate duplicates Z: 18 12.289 1.826 0.650 0.900 1.000 0.706 CB 0.707 18 residues pruned to eliminate duplicates Z: 16 12.041 1.768 0.645 0.762 1.000 0.600 CB 0.847 16 residues pruned to eliminate duplicates Z: 18 14.653 1.866 0.715 0.796 0.882 0.706 CB 0.971 18 residues pruned to eliminate duplicates Z: 15 11.137 1.870 0.648 0.867 0.929 0.571 CB 0.761 15 residues pruned to eliminate duplicates Z: 24 15.692 1.802 0.745 0.749 0.913 0.783 CB 0.912 23 residues pruned to eliminate duplicates Z: 23 14.304 1.661 0.611 0.899 1.000 0.727 CB 0.814 23 residues pruned to eliminate duplicates Z: 17 15.741 1.891 0.704 0.881 1.000 0.688 CB 0.884 17 residues pruned to eliminate duplicates Z: 21 13.948 1.870 0.704 0.789 1.000 0.650 CB 0.759 21 residues pruned to eliminate duplicates Z: 23 15.093 1.822 0.713 0.786 0.955 0.636 CB 0.840 23 residues pruned to eliminate duplicates Z: 21 13.887 1.804 0.602 0.718 1.000 0.550 CB 0.883 21 residues pruned to eliminate duplicates Z: 21 16.793 1.819 0.757 0.877 0.950 0.800 CB 0.898 21 residues pruned to eliminate duplicates Z: 26 13.653 1.731 0.748 0.695 0.840 0.560 CB 0.899 26 residues pruned to eliminate duplicates Z: 21 18.325 1.845 0.778 0.884 0.950 0.750 CB 0.950 22 residues pruned to eliminate duplicates Z: 20 16.459 1.838 0.758 0.904 0.947 0.684 CB 0.878 20 residues pruned to eliminate duplicates Z: 24 18.497 1.722 0.834 0.791 1.000 0.565 CB 0.946 23 residues pruned to eliminate duplicates Z: 12 17.521 1.889 0.716 0.852 1.000 0.727 CB 1.205 12 residues pruned to eliminate duplicates Z: 11 15.269 1.930 0.672 0.891 1.000 0.900 CB 1.076 11 residues pruned to eliminate duplicates Z: 24 26.508 1.990 0.577 0.908 1.000 0.957 CB 1.251 24 residues pruned to eliminate duplicates Z: 13 13.180 1.896 0.736 0.810 0.917 0.833 CB 0.962 13 residues pruned to eliminate duplicates Z: 25 25.814 2.021 0.735 0.809 0.958 0.750 CB 1.198 25 residues pruned to eliminate duplicates Z: 18 20.677 1.970 0.666 0.923 1.000 0.882 CB 1.074 18 residues pruned to eliminate duplicates Z: 25 18.311 1.891 0.722 0.713 0.917 0.667 CB 1.032 25 residues pruned to eliminate duplicates Z: 12 14.487 1.894 0.768 0.887 0.909 0.818 CB 1.035 12 residues pruned to eliminate duplicates Z: 36 20.519 1.864 0.668 0.611 0.829 0.686 CB 1.212 36 residues pruned to eliminate duplicates Z: 12 26.163 2.103 1.088 0.834 1.000 0.727 CB 1.347 12 residues pruned to eliminate duplicates Z: 16 18.364 2.096 0.763 0.735 0.867 0.667 CB 1.199 16 residues pruned to eliminate duplicates Z: 26 27.553 1.984 0.965 0.803 0.920 0.600 CB 1.179 26 residues pruned to eliminate duplicates Z: 40 35.051 1.977 0.919 0.797 0.949 0.564 CB 1.203 40 residues pruned to eliminate duplicates Z: 31 19.773 1.879 0.797 0.716 0.867 0.667 CB 1.014 31 residues pruned to eliminate duplicates Z: 14 22.106 2.113 0.919 0.819 0.923 0.308 CB 1.242 14 residues pruned to eliminate duplicates Z: 14 21.756 2.100 0.884 0.850 0.923 0.615 CB 1.224 14 residues pruned to eliminate duplicates Z: 25 31.583 1.984 0.924 0.870 0.958 0.792 CB 1.286 25 residues pruned to eliminate duplicates Z: 43 21.465 1.839 0.672 0.688 0.881 0.571 CB 1.029 43 residues pruned to eliminate duplicates Z: 31 27.544 2.029 0.845 0.743 0.933 0.800 CB 1.158 31 residues pruned to eliminate duplicates Z: 26 28.923 2.025 0.866 0.773 0.960 0.760 CB 1.252 26 residues pruned to eliminate duplicates Z: 14 15.155 2.041 1.061 0.817 0.769 0.385 CB 0.986 14 residues pruned to eliminate duplicates Z: 26 27.871 1.888 0.981 0.847 0.960 0.640 CB 1.153 26 residues pruned to eliminate duplicates Z: 11 8.858 1.825 0.615 0.588 0.900 0.700 CB 0.971 8 residues pruned to eliminate duplicates Z: 14 15.368 1.722 0.543 0.864 1.000 0.846 CB 1.176 16 residues pruned to eliminate duplicates Z: 12 12.922 1.828 0.485 0.866 0.909 0.818 CB 1.156 12 residues pruned to eliminate duplicates Z: 17 13.725 1.816 0.341 0.724 0.938 0.812 CB 1.227 17 residues pruned to eliminate duplicates Z: 16 10.752 1.807 0.344 0.642 0.800 0.800 CB 1.251 16 residues pruned to eliminate duplicates Z: 12 10.578 1.841 0.265 0.737 1.000 0.818 CB 1.107 12 residues pruned to eliminate duplicates Z: 18 12.563 1.808 0.296 0.695 0.941 0.647 CB 1.157 18 residues pruned to eliminate duplicates Z: 19 14.328 1.783 0.385 0.688 0.944 0.722 CB 1.219 19 residues pruned to eliminate duplicates Z: 17 17.652 1.739 0.626 0.894 0.938 0.875 CB 1.194 19 residues pruned to eliminate duplicates Z: 15 17.115 1.749 0.539 0.904 1.000 0.929 CB 1.210 16 residues pruned to eliminate duplicates Z: 14 17.035 1.748 0.797 0.892 1.000 0.846 CB 1.080 14 residues pruned to eliminate duplicates Z: 19 15.357 1.728 0.734 0.704 0.944 0.722 CB 1.063 14 residues pruned to eliminate duplicates Z: 17 15.782 1.596 0.662 0.870 1.000 0.938 CB 1.086 17 residues pruned to eliminate duplicates Z: 6 2.880 1.377 0.409 0.465 1.000 0.400 CB 0.688 6 residues pruned to eliminate duplicates Z: 19 7.934 1.652 0.268 0.520 0.889 0.611 CB 0.985 19 residues pruned to eliminate duplicates Z: 15 14.028 1.971 0.539 0.843 1.000 1.000 CB 0.920 15 residues pruned to eliminate duplicates Z: 20 22.672 2.039 0.638 0.917 1.000 0.947 CB 1.099 20 residues pruned to eliminate duplicates Z: 13 10.683 1.924 0.721 0.642 0.833 0.750 CB 0.979 13 residues pruned to eliminate duplicates Z: 20 12.394 1.792 0.886 0.567 0.842 0.684 CB 0.937 20 residues pruned to eliminate duplicates Z: 29 18.357 1.954 0.536 0.684 0.893 0.714 CB 1.093 29 residues pruned to eliminate duplicates Z: 30 17.512 1.839 0.645 0.727 0.897 0.655 CB 0.977 29 residues pruned to eliminate duplicates Z: 19 21.599 1.970 0.644 0.959 1.000 1.000 CB 1.078 19 residues pruned to eliminate duplicates Z: 45 26.241 1.906 0.644 0.778 0.886 0.659 CB 1.115 45 residues pruned to eliminate duplicates Z: 22 30.720 1.985 1.016 0.927 1.000 0.905 CB 1.174 22 residues pruned to eliminate duplicates Z: 27 21.091 1.957 0.786 0.702 0.846 0.615 CB 1.163 27 residues pruned to eliminate duplicates Z: 27 22.579 1.911 1.114 0.729 0.885 0.538 CB 1.008 27 residues pruned to eliminate duplicates Z: 23 26.130 2.033 1.179 0.787 0.909 0.591 CB 1.075 23 residues pruned to eliminate duplicates Z: 24 25.517 2.029 1.105 0.766 0.913 0.478 CB 1.078 24 residues pruned to eliminate duplicates Z: 19 26.274 2.062 1.233 0.806 1.000 0.444 CB 1.030 19 residues pruned to eliminate duplicates Z: 19 19.467 1.954 1.092 0.636 0.778 0.556 CB 1.271 19 residues pruned to eliminate duplicates Z: 21 16.082 1.959 0.908 0.623 0.850 0.550 CB 1.008 21 residues pruned to eliminate duplicates Z: 24 22.464 2.013 1.048 0.757 0.870 0.565 CB 1.039 24 residues pruned to eliminate duplicates Z: 24 24.926 2.056 0.934 0.769 0.957 0.652 CB 1.077 24 residues pruned to eliminate duplicates Z: 23 20.892 2.005 1.005 0.782 0.818 0.636 CB 1.057 23 residues pruned to eliminate duplicates Z: 24 24.777 1.923 1.106 0.838 0.957 0.696 CB 0.996 24 residues pruned to eliminate duplicates Z: 13 22.014 1.785 0.906 0.827 1.000 0.833 CB 1.408 13 residues pruned to eliminate duplicates Z: 13 21.569 1.833 0.682 0.886 1.000 0.917 CB 1.457 13 residues pruned to eliminate duplicates Z: 16 23.726 1.850 0.621 0.920 1.000 1.000 CB 1.439 16 residues pruned to eliminate duplicates Z: 17 20.612 1.768 0.693 0.806 1.000 0.625 CB 1.318 17 residues pruned to eliminate duplicates Z: 14 22.646 1.824 0.731 0.879 1.000 0.846 CB 1.443 15 residues pruned to eliminate duplicates Z: 16 20.891 1.835 0.587 0.850 0.933 0.733 CB 1.471 16 residues pruned to eliminate duplicates Z: 17 19.974 1.814 0.539 0.845 1.000 0.812 CB 1.330 17 residues pruned to eliminate duplicates Z: 23 15.193 1.694 0.707 0.624 0.955 0.500 CB 1.044 23 residues pruned to eliminate duplicates Z: 61 32.027 1.917 0.711 0.740 0.933 0.650 CB 1.089 61 residues pruned to eliminate duplicates Z: 39 26.526 1.883 0.635 0.693 0.921 0.526 CB 1.272 39 residues pruned to eliminate duplicates Z: 68 34.687 1.925 0.708 0.744 0.910 0.716 CB 1.138 68 residues pruned to eliminate duplicates Z: 37 23.005 1.899 0.490 0.717 0.972 0.556 CB 1.145 37 residues pruned to eliminate duplicates Z: 62 30.762 1.903 0.708 0.687 0.902 0.590 CB 1.133 62 residues pruned to eliminate duplicates Z: 66 31.777 1.880 0.562 0.703 0.923 0.646 CB 1.208 69 residues pruned to eliminate duplicates Z: 20 26.527 1.996 0.708 0.918 0.947 0.789 CB 1.329 20 residues pruned to eliminate duplicates Z: 71 37.974 1.912 0.803 0.720 0.929 0.586 CB 1.162 71 residues pruned to eliminate duplicates Z: 85 39.403 1.897 0.559 0.726 0.952 0.571 CB 1.245 79 residues pruned to eliminate duplicates Z: 20 25.125 1.954 0.612 0.905 0.947 0.579 CB 1.375 20 residues pruned to eliminate duplicates Z: 51 22.756 1.833 0.550 0.676 0.880 0.620 CB 1.095 51 residues pruned to eliminate duplicates Z: 63 30.665 1.881 0.831 0.663 0.855 0.468 CB 1.138 63 residues pruned to eliminate duplicates Z: 72 36.830 1.925 0.760 0.718 0.944 0.606 CB 1.123 72 residues pruned to eliminate duplicates Z: 47 26.998 1.863 0.713 0.704 0.870 0.457 CB 1.192 47 residues pruned to eliminate duplicates Z: 75 38.530 1.881 0.834 0.724 0.919 0.541 CB 1.154 75 residues pruned to eliminate duplicates Z: 65 36.842 1.937 0.909 0.743 0.906 0.469 CB 1.106 65 residues pruned to eliminate duplicates Z: 27 26.093 1.879 0.921 0.740 0.923 0.538 CB 1.239 27 residues pruned to eliminate duplicates Z: 26 27.975 1.920 0.880 0.785 0.960 0.720 CB 1.257 26 residues pruned to eliminate duplicates Z: 86 41.221 1.874 0.850 0.748 0.906 0.553 CB 1.140 85 residues pruned to eliminate duplicates Z: 22 18.863 1.892 0.523 0.828 0.905 0.667 CB 1.188 22 residues pruned to eliminate duplicates Z: 11 8.754 1.625 0.488 0.725 0.900 0.800 CB 1.039 9 residues pruned to eliminate duplicates Z: 22 27.864 1.940 0.810 0.858 1.000 0.714 CB 1.276 22 residues pruned to eliminate duplicates Z: 22 23.298 1.862 0.788 0.805 0.905 0.619 CB 1.293 22 residues pruned to eliminate duplicates Z: 41 33.689 1.866 0.808 0.786 0.950 0.625 CB 1.293 42 residues pruned to eliminate duplicates Z: 22 27.653 1.894 0.797 0.870 0.952 0.762 CB 1.359 22 residues pruned to eliminate duplicates Z: 20 13.157 1.915 0.713 0.591 0.895 0.579 CB 0.943 20 residues pruned to eliminate duplicates Z: 16 10.742 1.758 0.705 0.624 0.800 0.333 CB 1.029 16 residues pruned to eliminate duplicates Z: 23 20.290 1.930 0.646 0.836 0.955 0.682 CB 1.068 23 residues pruned to eliminate duplicates Z: 23 23.317 1.934 0.757 0.852 0.955 0.727 CB 1.134 23 residues pruned to eliminate duplicates Z: 24 14.918 1.828 0.633 0.584 0.913 0.652 CB 1.053 24 residues pruned to eliminate duplicates Z: 22 26.267 2.005 0.830 0.874 0.952 0.810 CB 1.193 22 residues pruned to eliminate duplicates Z: 20 26.298 2.012 0.807 0.813 0.947 0.842 CB 1.335 20 residues pruned to eliminate duplicates Z: 22 19.761 1.913 0.820 0.860 0.905 0.524 CB 1.007 22 residues pruned to eliminate duplicates Z: 18 22.981 2.056 0.930 0.848 0.941 0.706 CB 1.107 18 residues pruned to eliminate duplicates Z: 14 15.334 1.984 0.696 0.745 0.923 0.692 CB 1.100 14 residues pruned to eliminate duplicates Z: 24 24.702 1.953 0.821 0.809 0.913 0.478 CB 1.212 24 residues pruned to eliminate duplicates Z: 20 20.913 2.001 0.814 0.819 0.895 0.421 CB 1.121 20 residues pruned to eliminate duplicates Z: 28 20.364 1.980 0.689 0.734 0.889 0.667 CB 1.068 28 residues pruned to eliminate duplicates Z: 20 25.010 2.023 1.106 0.800 0.895 0.632 CB 1.158 20 residues pruned to eliminate duplicates Z: 23 26.443 1.893 0.972 0.843 0.909 0.636 CB 1.236 23 residues pruned to eliminate duplicates Z: 15 24.715 1.969 0.859 0.817 1.000 0.714 CB 1.370 15 residues pruned to eliminate duplicates Z: 12 12.387 1.822 0.575 0.633 0.909 0.818 CB 1.264 12 residues pruned to eliminate duplicates Z: 16 18.494 1.905 0.437 0.834 1.000 0.867 CB 1.307 16 residues pruned to eliminate duplicates Z: 12 8.964 1.883 0.268 0.639 0.909 0.727 CB 1.094 12 residues pruned to eliminate duplicates Z: 27 19.539 1.878 0.553 0.728 0.923 0.769 CB 1.159 27 residues pruned to eliminate duplicates Z: 12 17.280 1.948 0.626 0.900 1.000 0.636 CB 1.175 12 residues pruned to eliminate duplicates Z: 19 19.878 1.852 0.629 0.861 1.000 0.722 CB 1.140 19 residues pruned to eliminate duplicates Z: 12 16.118 1.969 0.595 0.875 1.000 0.818 CB 1.125 12 residues pruned to eliminate duplicates Z: 16 17.188 1.890 0.494 0.908 1.000 0.800 CB 1.116 16 residues pruned to eliminate duplicates Z: 18 18.990 1.881 0.516 0.752 0.941 0.765 CB 1.370 18 residues pruned to eliminate duplicates Z: 35 22.786 1.805 0.603 0.800 0.853 0.794 CB 1.218 35 residues pruned to eliminate duplicates Z: 19 19.685 1.884 0.399 0.851 1.000 0.722 CB 1.304 19 residues pruned to eliminate duplicates Z: 16 22.827 1.928 0.532 0.842 1.000 0.933 CB 1.487 16 residues pruned to eliminate duplicates Z: 17 22.186 1.921 0.527 0.915 1.000 0.875 CB 1.336 17 residues pruned to eliminate duplicates Z: 16 21.531 1.906 0.560 0.913 1.000 0.733 CB 1.324 16 residues pruned to eliminate duplicates Z: 41 27.973 1.799 0.794 0.774 0.950 0.550 CB 1.132 39 residues pruned to eliminate duplicates Z: 18 22.607 1.907 0.485 0.909 1.000 0.824 CB 1.374 18 residues pruned to eliminate duplicates Z: 6 3.462 1.381 0.375 0.572 0.800 0.200 N 0.950 6 residues pruned to eliminate duplicates Z: 22 26.120 1.959 0.637 0.904 1.000 0.905 CB 1.266 22 residues pruned to eliminate duplicates Z: 23 19.612 1.898 0.590 0.685 0.864 0.545 CB 1.354 23 residues pruned to eliminate duplicates Z: 22 26.087 1.976 0.626 0.912 0.952 0.857 CB 1.317 22 residues pruned to eliminate duplicates Z: 41 30.966 1.945 0.569 0.822 0.950 0.700 CB 1.277 41 residues pruned to eliminate duplicates Z: 21 24.648 2.055 0.703 0.862 0.900 0.700 CB 1.285 21 residues pruned to eliminate duplicates Z: 22 22.558 2.033 0.673 0.701 0.905 0.714 CB 1.331 22 residues pruned to eliminate duplicates Z: 42 26.736 1.911 0.624 0.617 0.927 0.707 CB 1.300 42 residues pruned to eliminate duplicates Z: 19 25.284 2.061 0.735 0.871 0.944 0.833 CB 1.287 19 residues pruned to eliminate duplicates Z: 24 20.720 1.923 0.570 0.751 0.913 0.696 CB 1.253 24 residues pruned to eliminate duplicates Z: 22 26.114 2.002 0.830 0.826 0.905 0.762 CB 1.297 22 residues pruned to eliminate duplicates Z: 21 22.394 1.986 0.860 0.834 0.850 0.800 CB 1.196 21 residues pruned to eliminate duplicates Z: 21 22.061 2.030 0.801 0.865 0.850 0.700 CB 1.163 21 residues pruned to eliminate duplicates Z: 24 24.323 1.930 0.967 0.708 0.870 0.696 CB 1.272 24 residues pruned to eliminate duplicates Z: 23 28.437 1.984 0.983 0.777 0.864 0.636 CB 1.398 23 residues pruned to eliminate duplicates Z: 25 24.052 1.888 0.889 0.734 0.917 0.333 CB 1.217 25 residues pruned to eliminate duplicates Z: 21 29.111 2.015 0.924 0.829 0.950 0.750 CB 1.330 21 residues pruned to eliminate duplicates Z: 24 25.890 1.949 1.034 0.778 0.826 0.739 CB 1.290 24 residues pruned to eliminate duplicates Z: 19 27.523 2.041 0.997 0.871 0.889 0.889 CB 1.305 19 residues pruned to eliminate duplicates Z: 21 29.175 2.035 0.870 0.826 1.000 0.750 CB 1.293 21 residues pruned to eliminate duplicates Z: 20 30.966 2.050 0.946 0.910 0.895 0.737 CB 1.411 20 residues pruned to eliminate duplicates Z: 42 30.560 1.948 0.757 0.746 0.902 0.732 CB 1.240 41 residues pruned to eliminate duplicates Z: 15 25.778 2.050 0.666 0.891 1.000 0.929 CB 1.450 15 residues pruned to eliminate duplicates Z: 39 29.698 2.001 0.871 0.762 0.947 0.737 CB 1.076 42 residues pruned to eliminate duplicates Z: 19 34.611 2.043 0.812 0.917 1.000 0.944 CB 1.556 19 residues pruned to eliminate duplicates Z: 41 35.082 2.007 0.959 0.780 0.950 0.750 CB 1.160 41 residues pruned to eliminate duplicates Z: 21 26.865 2.063 0.801 0.716 0.900 0.700 CB 1.477 21 residues pruned to eliminate duplicates Z: 23 27.109 1.985 0.850 0.709 0.909 0.636 CB 1.432 23 residues pruned to eliminate duplicates Z: 33 32.725 2.005 0.953 0.695 0.938 0.469 CB 1.319 33 residues pruned to eliminate duplicates Z: 39 34.992 2.050 1.007 0.806 0.921 0.684 CB 1.147 39 residues pruned to eliminate duplicates Z: 29 39.789 2.080 1.075 0.758 0.893 0.679 CB 1.551 29 residues pruned to eliminate duplicates Z: 21 26.548 2.051 0.817 0.709 0.850 0.400 CB 1.550 21 residues pruned to eliminate duplicates Z: 39 37.533 2.013 0.960 0.770 0.921 0.553 CB 1.320 39 residues pruned to eliminate duplicates Z: 40 35.842 2.042 0.913 0.834 0.949 0.692 CB 1.162 40 residues pruned to eliminate duplicates Z: 39 36.947 2.061 0.952 0.828 0.947 0.658 CB 1.184 39 residues pruned to eliminate duplicates Z: 21 29.950 2.019 0.841 0.806 0.950 0.500 CB 1.452 21 residues pruned to eliminate duplicates Z: 6 5.178 1.680 0.388 0.606 0.800 0.400 CB 1.121 6 residues pruned to eliminate duplicates Z: 36 24.571 1.951 0.878 0.754 0.886 0.657 CB 1.021 36 residues pruned to eliminate duplicates Z: 11 6.723 1.573 0.226 0.772 0.900 0.800 CB 0.963 9 residues pruned to eliminate duplicates Z: 16 9.926 1.650 0.425 0.859 0.933 0.733 CB 0.859 16 residues pruned to eliminate duplicates Z: 8 9.203 1.879 0.662 0.796 0.857 0.714 CB 1.003 8 residues pruned to eliminate duplicates Z: 26 15.683 1.765 0.520 0.624 0.840 0.560 CB 1.237 26 residues pruned to eliminate duplicates Z: 24 18.993 1.854 0.681 0.831 0.957 0.696 CB 0.998 25 residues pruned to eliminate duplicates Z: 24 21.139 1.903 0.624 0.882 0.957 0.957 CB 1.079 24 residues pruned to eliminate duplicates Z: 34 18.449 1.792 0.563 0.620 0.879 0.667 CB 1.165 34 residues pruned to eliminate duplicates Z: 29 23.535 1.904 0.660 0.789 0.964 0.893 CB 1.133 29 residues pruned to eliminate duplicates Z: 21 20.988 1.954 0.591 0.925 1.000 0.850 CB 1.060 21 residues pruned to eliminate duplicates Z: 22 26.130 1.950 0.748 0.847 1.000 0.857 CB 1.242 24 residues pruned to eliminate duplicates Z: 17 17.165 1.883 0.720 0.854 1.000 0.750 CB 0.978 17 residues pruned to eliminate duplicates Z: 21 24.139 1.977 0.712 0.922 0.950 0.900 CB 1.181 21 residues pruned to eliminate duplicates Z: 24 20.612 1.838 0.524 0.843 1.000 0.783 CB 1.143 24 residues pruned to eliminate duplicates Z: 26 21.641 1.897 0.645 0.761 0.880 0.680 CB 1.250 26 residues pruned to eliminate duplicates Z: 13 12.433 1.916 0.422 0.711 0.833 0.750 CB 1.305 13 residues pruned to eliminate duplicates Z: 22 18.629 1.948 0.669 0.860 0.952 0.762 CB 0.966 22 residues pruned to eliminate duplicates Z: 21 21.226 1.948 0.750 0.817 0.900 0.850 CB 1.174 21 residues pruned to eliminate duplicates Z: 24 20.489 1.854 0.653 0.823 0.957 0.739 CB 1.102 24 residues pruned to eliminate duplicates Z: 19 23.025 1.985 0.986 0.865 0.889 0.778 CB 1.134 19 residues pruned to eliminate duplicates Z: 19 16.475 2.014 0.773 0.839 0.833 0.667 CB 0.974 19 residues pruned to eliminate duplicates Z: 19 22.426 1.907 0.736 0.878 0.944 0.889 CB 1.226 19 residues pruned to eliminate duplicates Z: 16 11.674 1.873 0.532 0.654 0.800 0.733 CB 1.137 13 residues pruned to eliminate duplicates Z: 20 21.174 1.895 0.734 0.891 0.947 0.789 CB 1.122 22 residues pruned to eliminate duplicates Z: 19 19.248 1.911 0.646 0.926 0.944 0.833 CB 1.071 19 residues pruned to eliminate duplicates Z: 23 17.398 1.843 0.577 0.704 0.864 0.636 CB 1.228 21 residues pruned to eliminate duplicates Z: 19 24.297 1.913 0.765 0.921 1.000 0.778 CB 1.193 22 residues pruned to eliminate duplicates Z: 19 25.882 1.905 0.775 0.892 1.000 0.889 CB 1.296 19 residues pruned to eliminate duplicates Z: 16 20.070 1.901 0.681 0.886 0.933 0.733 CB 1.254 16 residues pruned to eliminate duplicates Z: 22 21.076 1.851 0.895 0.769 0.857 0.524 CB 1.206 22 residues pruned to eliminate duplicates Z: 20 24.674 1.813 0.925 0.772 0.947 0.789 CB 1.346 20 residues pruned to eliminate duplicates Z: 35 21.274 1.756 0.668 0.649 0.912 0.559 CB 1.189 36 residues pruned to eliminate duplicates Z: 19 23.352 1.855 1.012 0.918 0.944 0.722 CB 1.101 19 residues pruned to eliminate duplicates Z: 24 11.371 1.791 0.614 0.575 0.739 0.435 CB 1.033 24 residues pruned to eliminate duplicates Z: 20 20.866 1.898 0.806 0.809 0.947 0.632 CB 1.127 20 residues pruned to eliminate duplicates Z: 27 20.371 1.823 0.761 0.667 0.923 0.654 CB 1.155 28 residues pruned to eliminate duplicates Z: 19 26.614 1.916 1.114 0.936 1.000 0.889 CB 1.079 19 residues pruned to eliminate duplicates Z: 16 28.892 1.936 0.808 0.757 1.000 0.800 CB 1.696 14 residues pruned to eliminate duplicates Z: 15 22.425 1.958 0.664 0.810 0.929 0.857 CB 1.513 15 residues pruned to eliminate duplicates Z: 19 29.922 2.018 0.691 0.794 1.000 0.722 CB 1.597 18 residues pruned to eliminate duplicates Z: 16 29.679 2.042 0.685 0.896 1.000 0.933 CB 1.595 16 residues pruned to eliminate duplicates Z: 20 20.698 1.916 0.824 0.700 0.842 0.684 CB 1.344 17 residues pruned to eliminate duplicates Z: 17 28.023 1.933 0.844 0.827 0.938 0.750 CB 1.579 17 residues pruned to eliminate duplicates Z: 17 26.481 1.960 0.857 0.708 0.938 0.625 CB 1.606 17 residues pruned to eliminate duplicates Z: 16 24.153 2.026 0.945 0.737 0.867 0.800 CB 1.476 16 residues pruned to eliminate duplicates Z: 15 33.460 2.064 0.828 0.918 1.000 0.714 CB 1.671 21 residues pruned to eliminate duplicates Z: 15 29.789 2.041 0.714 0.882 0.929 0.786 O 1.774 15 residues pruned to eliminate duplicates Z: 35 28.222 1.903 0.670 0.700 0.941 0.618 CB 1.348 35 residues pruned to eliminate duplicates Z: 17 29.843 1.946 0.661 0.898 1.000 0.875 O 1.651 17 residues pruned to eliminate duplicates Z: 40 29.528 1.889 0.492 0.751 0.923 0.744 CB 1.453 38 residues pruned to eliminate duplicates Z: 16 33.133 2.068 0.688 0.910 1.000 0.867 CB 1.738 16 residues pruned to eliminate duplicates Z: 36 31.339 1.985 0.597 0.780 0.914 0.886 CB 1.428 36 residues pruned to eliminate duplicates Z: 27 13.073 1.855 0.436 0.702 0.923 0.731 CB 0.868 25 residues pruned to eliminate duplicates Z: 8 8.634 1.827 0.741 0.867 1.000 0.857 CB 0.751 9 residues pruned to eliminate duplicates Z: 19 16.088 2.018 0.597 0.904 0.944 0.889 CB 0.887 19 residues pruned to eliminate duplicates Z: 12 8.526 1.883 0.732 0.508 0.909 0.364 CB 0.860 12 residues pruned to eliminate duplicates Z: 20 15.552 1.969 0.557 0.848 0.947 0.684 CB 0.911 20 residues pruned to eliminate duplicates Z: 31 15.987 1.806 0.683 0.602 0.900 0.533 CB 0.968 31 residues pruned to eliminate duplicates Z: 23 16.632 1.974 0.690 0.754 0.909 0.818 CB 0.932 23 residues pruned to eliminate duplicates Z: 25 16.225 1.835 0.877 0.718 0.917 0.792 CB 0.861 25 residues pruned to eliminate duplicates Z: 23 20.092 1.971 1.069 0.789 1.000 0.591 CB 0.815 23 residues pruned to eliminate duplicates Z: 17 14.340 1.989 0.804 0.727 0.938 0.750 CB 0.869 17 residues pruned to eliminate duplicates Z: 25 18.289 1.850 0.855 0.755 0.958 0.542 CB 0.905 25 residues pruned to eliminate duplicates Z: 22 22.168 2.025 1.138 0.833 1.000 0.762 CB 0.838 22 residues pruned to eliminate duplicates Z: 39 31.294 2.015 0.927 0.798 0.947 0.632 CB 1.063 39 residues pruned to eliminate duplicates Z: 12 13.940 2.069 0.730 0.797 1.000 0.727 CB 0.905 12 residues pruned to eliminate duplicates Z: 36 29.143 1.978 0.947 0.747 0.857 0.486 CB 1.197 36 residues pruned to eliminate duplicates Z: 23 21.421 1.971 1.107 0.798 0.909 0.636 CB 0.932 23 residues pruned to eliminate duplicates Z: 42 33.836 1.960 0.841 0.771 0.951 0.683 CB 1.211 42 residues pruned to eliminate duplicates Z: 22 24.227 2.058 1.048 0.804 0.952 0.667 CB 1.010 22 residues pruned to eliminate duplicates Z: 17 19.262 1.914 1.148 0.863 1.000 0.688 CB 0.859 17 residues pruned to eliminate duplicates Z: 13 14.609 1.898 0.379 0.867 0.917 0.750 CB 1.286 13 residues pruned to eliminate duplicates Z: 14 14.848 1.824 0.687 0.683 1.000 0.615 CB 1.132 14 residues pruned to eliminate duplicates Z: 35 33.163 1.985 0.730 0.822 0.941 0.824 CB 1.331 35 residues pruned to eliminate duplicates Z: 43 31.765 1.944 0.612 0.826 0.905 0.810 CB 1.303 43 residues pruned to eliminate duplicates Z: 44 36.553 1.951 0.717 0.830 0.930 0.767 CB 1.345 44 residues pruned to eliminate duplicates Z: 21 19.620 1.846 0.395 0.919 0.950 0.900 CB 1.264 21 residues pruned to eliminate duplicates Z: 39 31.964 1.978 0.751 0.834 0.921 0.658 CB 1.218 39 residues pruned to eliminate duplicates Z: 46 35.902 1.914 0.719 0.800 0.956 0.711 CB 1.309 46 residues pruned to eliminate duplicates Z: 41 34.679 1.986 0.712 0.828 0.875 0.675 CB 1.388 41 residues pruned to eliminate duplicates Z: 40 37.412 2.016 0.675 0.831 0.974 0.821 CB 1.367 40 residues pruned to eliminate duplicates Z: 40 36.407 1.969 0.743 0.809 0.949 0.744 CB 1.368 40 residues pruned to eliminate duplicates Z: 41 39.967 1.969 0.837 0.850 0.925 0.875 CB 1.399 41 residues pruned to eliminate duplicates Z: 22 20.852 1.895 0.621 0.789 0.905 0.667 CB 1.270 22 residues pruned to eliminate duplicates Z: 39 38.676 1.992 0.784 0.836 0.947 0.842 CB 1.395 39 residues pruned to eliminate duplicates Z: 21 24.798 1.941 0.592 0.836 1.000 0.900 CB 1.343 21 residues pruned to eliminate duplicates Z: 42 33.358 1.973 0.819 0.810 0.878 0.585 CB 1.261 42 residues pruned to eliminate duplicates Z: 42 37.721 1.945 0.818 0.849 0.951 0.683 CB 1.298 42 residues pruned to eliminate duplicates Z: 10 13.863 1.747 0.735 0.799 1.000 0.556 CB 1.173 10 residues pruned to eliminate duplicates Z: 41 38.589 1.971 0.808 0.859 0.925 0.825 CB 1.362 41 residues pruned to eliminate duplicates Z: 17 17.604 1.870 0.486 0.770 0.938 0.688 CB 1.330 17 residues pruned to eliminate duplicates Z: 27 18.257 1.938 0.907 0.734 0.885 0.500 CB 0.888 27 residues pruned to eliminate duplicates Z: 24 19.311 1.916 0.855 0.701 0.783 0.391 CB 1.205 24 residues pruned to eliminate duplicates Z: 35 27.343 1.874 0.751 0.758 0.912 0.647 CB 1.247 35 residues pruned to eliminate duplicates Z: 20 19.972 1.833 0.579 0.806 0.947 0.737 CB 1.280 20 residues pruned to eliminate duplicates Z: 44 27.951 1.882 0.857 0.751 0.930 0.535 CB 1.048 44 residues pruned to eliminate duplicates Z: 40 25.911 1.898 0.847 0.710 0.872 0.641 CB 1.123 40 residues pruned to eliminate duplicates Z: 27 22.102 1.935 0.709 0.752 0.885 0.500 CB 1.184 27 residues pruned to eliminate duplicates Z: 41 28.416 1.886 0.797 0.738 0.950 0.500 CB 1.127 41 residues pruned to eliminate duplicates Z: 17 25.143 1.906 0.679 0.913 1.000 0.750 CB 1.389 17 residues pruned to eliminate duplicates Z: 43 35.959 1.931 0.935 0.780 0.952 0.690 CB 1.219 43 residues pruned to eliminate duplicates Z: 24 21.222 1.809 0.641 0.773 1.000 0.652 CB 1.171 24 residues pruned to eliminate duplicates Z: 43 29.659 1.868 0.926 0.729 0.905 0.619 CB 1.144 43 residues pruned to eliminate duplicates Z: 40 33.563 1.945 0.942 0.782 0.923 0.667 CB 1.202 40 residues pruned to eliminate duplicates Z: 18 26.494 1.923 0.728 0.907 1.000 0.765 CB 1.374 18 residues pruned to eliminate duplicates Z: 40 26.040 1.866 0.840 0.679 0.821 0.590 CB 1.255 40 residues pruned to eliminate duplicates Z: 23 19.969 1.755 0.595 0.786 0.909 0.682 CB 1.301 23 residues pruned to eliminate duplicates Z: 17 17.919 1.700 0.540 0.795 0.938 0.688 CB 1.409 16 residues pruned to eliminate duplicates Z: 14 20.607 1.866 0.785 0.865 1.000 0.462 CB 1.257 14 residues pruned to eliminate duplicates Z: 35 20.976 1.879 0.459 0.645 0.853 0.647 CB 1.344 32 residues pruned to eliminate duplicates Z: 13 15.802 1.837 0.491 0.827 0.917 0.833 CB 1.370 13 residues pruned to eliminate duplicates Z: 18 13.860 1.830 0.478 0.647 0.824 0.588 CB 1.316 18 residues pruned to eliminate duplicates Z: 36 25.944 1.888 0.552 0.738 0.857 0.514 CB 1.411 36 residues pruned to eliminate duplicates Z: 17 16.586 1.784 0.553 0.722 0.938 0.625 CB 1.307 17 residues pruned to eliminate duplicates Z: 36 25.414 1.894 0.666 0.722 0.886 0.600 CB 1.258 34 residues pruned to eliminate duplicates Z: 14 21.283 1.909 0.647 0.832 0.923 0.846 CB 1.526 14 residues pruned to eliminate duplicates Z: 13 20.166 1.998 0.435 0.889 0.917 0.917 CB 1.595 13 residues pruned to eliminate duplicates Z: 12 16.066 1.897 0.370 0.837 0.909 0.818 CB 1.534 12 residues pruned to eliminate duplicates Z: 17 15.617 1.797 0.626 0.769 0.875 0.750 CB 1.203 17 residues pruned to eliminate duplicates Z: 33 26.937 1.904 0.534 0.770 0.875 0.594 CB 1.467 33 residues pruned to eliminate duplicates Z: 14 22.103 1.899 0.635 0.909 1.000 0.846 CB 1.401 14 residues pruned to eliminate duplicates Z: 35 19.284 1.807 0.385 0.620 0.882 0.676 CB 1.337 34 residues pruned to eliminate duplicates Z: 15 23.965 2.007 0.664 0.874 0.929 0.857 CB 1.503 15 residues pruned to eliminate duplicates Z: 39 25.989 1.938 0.457 0.742 0.947 0.763 CB 1.268 39 residues pruned to eliminate duplicates Z: 21 21.159 1.960 0.585 0.724 1.000 0.850 CB 1.245 21 residues pruned to eliminate duplicates Z: 15 29.147 2.105 0.747 0.924 1.000 0.929 CB 1.488 15 residues pruned to eliminate duplicates Z: 15 24.026 2.007 0.809 0.711 0.929 0.714 CB 1.572 15 residues pruned to eliminate duplicates Z: 39 29.841 1.971 0.644 0.776 0.974 0.816 CB 1.202 39 residues pruned to eliminate duplicates Z: 15 28.254 2.029 0.916 0.868 1.000 0.929 CB 1.420 15 residues pruned to eliminate duplicates Z: 17 16.015 1.859 0.747 0.714 0.875 0.750 CB 1.161 17 residues pruned to eliminate duplicates Z: 36 22.289 1.932 0.498 0.684 0.857 0.714 CB 1.283 20 residues pruned to eliminate duplicates Z: 18 28.189 1.924 0.795 0.916 1.000 0.647 CB 1.397 18 residues pruned to eliminate duplicates Z: 60 38.658 1.951 0.710 0.762 0.932 0.695 CB 1.282 60 residues pruned to eliminate duplicates Z: 17 21.697 2.025 0.637 0.756 0.938 0.812 CB 1.389 17 residues pruned to eliminate duplicates Z: 17 25.648 2.081 0.900 0.880 0.875 0.812 CB 1.343 17 residues pruned to eliminate duplicates Z: 19 21.285 1.936 0.825 0.800 0.889 0.778 CB 1.228 19 residues pruned to eliminate duplicates Z: 45 27.244 1.896 0.500 0.700 0.932 0.773 CB 1.291 45 residues pruned to eliminate duplicates Z: 16 30.666 2.086 0.824 0.924 1.000 0.867 CB 1.462 16 residues pruned to eliminate duplicates Z: 19 18.915 1.890 0.486 0.755 1.000 0.778 CB 1.265 19 residues pruned to eliminate duplicates Z: 16 18.459 1.938 0.484 0.838 1.000 0.800 CB 1.239 16 residues pruned to eliminate duplicates Z: 18 18.523 1.929 0.507 0.804 1.000 0.824 CB 1.184 18 residues pruned to eliminate duplicates Z: 17 20.365 1.958 0.514 0.911 1.000 0.938 CB 1.217 17 residues pruned to eliminate duplicates Z: 16 18.704 1.989 0.499 0.875 1.000 0.733 CB 1.177 16 residues pruned to eliminate duplicates Z: 18 22.121 1.938 0.615 0.840 1.000 0.824 CB 1.279 18 residues pruned to eliminate duplicates Z: 20 13.290 1.753 0.698 0.605 0.789 0.474 CB 1.174 20 residues pruned to eliminate duplicates Z: 20 15.065 1.791 0.632 0.623 0.842 0.526 CB 1.251 20 residues pruned to eliminate duplicates Z: 13 21.016 1.947 0.899 0.816 0.917 0.833 CB 1.360 13 residues pruned to eliminate duplicates Z: 16 17.084 1.861 0.631 0.735 1.000 0.800 CB 1.177 16 residues pruned to eliminate duplicates Z: 13 19.550 1.856 0.779 0.814 1.000 0.750 CB 1.300 13 residues pruned to eliminate duplicates Z: 22 15.587 1.882 0.438 0.701 0.905 0.571 CB 1.156 22 residues pruned to eliminate duplicates Z: 19 19.146 1.918 0.633 0.666 0.889 0.778 CB 1.390 19 residues pruned to eliminate duplicates Z: 21 16.715 1.896 0.592 0.719 0.900 0.700 CB 1.128 21 residues pruned to eliminate duplicates Z: 48 29.268 1.883 0.769 0.688 0.915 0.638 CB 1.179 43 residues pruned to eliminate duplicates Z: 18 22.849 1.912 0.648 0.917 1.000 0.882 CB 1.241 18 residues pruned to eliminate duplicates Z: 21 16.209 1.858 0.312 0.714 0.900 0.800 CB 1.360 20 residues pruned to eliminate duplicates Z: 21 20.678 1.901 0.508 0.892 1.000 0.950 CB 1.159 21 residues pruned to eliminate duplicates Z: 7 8.154 1.674 0.387 0.864 1.000 1.000 CB 1.051 7 residues pruned to eliminate duplicates Z: 9 7.249 1.635 0.473 0.839 1.000 0.625 CB 0.795 9 residues pruned to eliminate duplicates Z: 8 6.930 1.665 0.441 0.842 1.000 1.000 CB 0.813 8 residues pruned to eliminate duplicates Z: 21 14.405 1.771 0.550 0.624 0.950 0.650 CB 1.099 21 residues pruned to eliminate duplicates Z: 31 19.126 1.784 0.523 0.776 0.900 0.767 CB 1.119 31 residues pruned to eliminate duplicates Z: 20 11.831 1.776 0.323 0.817 0.895 0.895 CB 0.981 20 residues pruned to eliminate duplicates Z: 26 23.318 1.851 0.576 0.805 0.960 0.840 CB 1.276 26 residues pruned to eliminate duplicates Z: 23 15.189 1.847 0.339 0.858 0.909 0.727 CB 1.061 23 residues pruned to eliminate duplicates Z: 26 20.103 1.852 0.507 0.750 0.880 0.800 CB 1.310 26 residues pruned to eliminate duplicates Z: 20 19.635 1.819 0.659 0.842 0.947 0.789 CB 1.174 20 residues pruned to eliminate duplicates Z: 28 18.968 1.791 0.626 0.739 0.926 0.704 CB 1.092 28 residues pruned to eliminate duplicates Z: 20 15.289 1.835 0.554 0.730 0.895 0.579 CB 1.118 20 residues pruned to eliminate duplicates Z: 20 12.739 1.812 0.749 0.623 0.789 0.316 CB 1.040 20 residues pruned to eliminate duplicates Z: 20 15.813 1.872 0.776 0.709 0.947 0.684 CB 0.952 20 residues pruned to eliminate duplicates Z: 25 19.082 1.854 0.727 0.795 0.958 0.750 CB 0.981 25 residues pruned to eliminate duplicates Z: 35 20.675 1.782 0.795 0.751 0.912 0.735 CB 0.972 36 residues pruned to eliminate duplicates Z: 21 23.353 1.889 0.710 0.926 1.000 0.800 CB 1.133 21 residues pruned to eliminate duplicates Z: 32 29.946 1.889 0.772 0.803 0.968 0.806 CB 1.274 71 residues pruned to eliminate duplicates Z: 23 26.154 1.841 0.710 0.916 1.000 0.864 CB 1.251 24 residues pruned to eliminate duplicates Z: 24 26.094 1.825 0.863 0.884 1.000 0.783 CB 1.156 24 residues pruned to eliminate duplicates Z: 17 10.189 1.642 0.490 0.536 0.875 0.438 CB 1.148 17 residues pruned to eliminate duplicates Z: 10 10.503 1.774 0.556 0.609 0.889 0.444 CB 1.287 10 residues pruned to eliminate duplicates Z: 14 10.877 1.775 0.309 0.665 0.923 0.385 CB 1.207 14 residues pruned to eliminate duplicates Z: 8 8.838 1.762 0.368 0.741 0.857 0.714 CB 1.303 8 residues pruned to eliminate duplicates Z: 10 9.990 1.842 0.341 0.780 0.778 0.556 CB 1.354 10 residues pruned to eliminate duplicates Z: 14 11.640 1.779 0.364 0.704 0.846 0.538 CB 1.307 14 residues pruned to eliminate duplicates Z: 13 17.162 1.780 0.787 0.724 0.917 0.500 CB 1.388 13 residues pruned to eliminate duplicates Z: 16 16.790 1.719 0.680 0.812 0.933 0.667 CB 1.226 16 residues pruned to eliminate duplicates Z: 15 18.260 1.815 0.596 0.836 0.929 0.643 CB 1.358 15 residues pruned to eliminate duplicates Z: 37 24.114 1.795 0.660 0.805 0.861 0.556 CB 1.201 36 residues pruned to eliminate duplicates Z: 16 21.117 1.809 0.591 0.923 1.000 0.800 CB 1.331 16 residues pruned to eliminate duplicates Z: 15 18.749 1.811 0.680 0.819 0.929 0.714 CB 1.345 15 residues pruned to eliminate duplicates Z: 15 17.260 1.801 0.633 0.786 0.929 0.786 CB 1.314 15 residues pruned to eliminate duplicates Z: 18 16.218 1.753 0.718 0.859 0.882 0.765 CB 1.090 18 residues pruned to eliminate duplicates Z: 20 13.414 1.669 0.395 0.800 0.895 0.737 CB 1.137 20 residues pruned to eliminate duplicates Z: 16 15.239 1.702 0.305 0.896 1.000 0.867 CB 1.268 16 residues pruned to eliminate duplicates Z: 18 16.439 1.725 0.450 0.918 1.000 0.882 CB 1.124 18 residues pruned to eliminate duplicates Z: 17 17.571 1.756 0.403 0.883 1.000 0.750 CB 1.289 17 residues pruned to eliminate duplicates Z: 13 18.169 1.755 0.603 0.893 1.000 0.917 CB 1.337 13 residues pruned to eliminate duplicates Z: 16 14.005 1.750 0.349 0.870 0.867 0.733 CB 1.290 16 residues pruned to eliminate duplicates Z: 15 11.532 1.699 0.172 0.834 0.929 0.714 CB 1.249 15 residues pruned to eliminate duplicates Z: 20 14.498 1.686 0.361 0.840 0.947 0.789 CB 1.142 20 residues pruned to eliminate duplicates Z: 15 15.184 1.762 0.435 0.829 0.929 0.786 CB 1.300 15 residues pruned to eliminate duplicates Z: 20 15.316 1.678 0.481 0.648 0.947 0.684 CB 1.300 20 residues pruned to eliminate duplicates Z: 39 24.088 1.797 0.743 0.738 0.868 0.658 CB 1.161 39 residues pruned to eliminate duplicates Z: 15 14.813 1.735 0.524 0.830 0.857 0.786 CB 1.314 15 residues pruned to eliminate duplicates Z: 15 17.568 1.758 0.506 0.835 1.000 0.714 CB 1.329 15 residues pruned to eliminate duplicates Z: 16 15.280 1.742 0.318 0.790 1.000 0.733 CB 1.332 16 residues pruned to eliminate duplicates Z: 18 16.558 1.668 0.661 0.800 0.941 0.706 CB 1.185 18 residues pruned to eliminate duplicates Z: 37 26.038 1.798 0.760 0.751 0.917 0.611 CB 1.196 37 residues pruned to eliminate duplicates Z: 18 20.175 1.728 0.677 0.917 1.000 0.824 CB 1.191 18 residues pruned to eliminate duplicates Z: 38 21.218 1.763 0.786 0.749 0.946 0.568 CB 0.938 38 residues pruned to eliminate duplicates Z: 8 7.529 1.840 0.492 0.818 1.000 0.429 CB 0.786 8 residues pruned to eliminate duplicates Z: 16 12.041 1.895 0.703 0.642 0.933 0.333 CB 0.904 16 residues pruned to eliminate duplicates Z: 81 27.783 1.731 0.721 0.685 0.900 0.475 CB 0.978 82 residues pruned to eliminate duplicates Z: 13 9.201 1.784 0.646 0.837 0.917 0.583 CB 0.738 13 residues pruned to eliminate duplicates Z: 13 12.022 1.712 0.589 0.728 1.000 0.500 CB 1.039 13 residues pruned to eliminate duplicates Z: 11 9.223 1.747 0.680 0.725 0.900 0.600 CB 0.902 11 residues pruned to eliminate duplicates Z: 13 12.830 1.750 0.624 0.795 1.000 0.667 CB 1.007 13 residues pruned to eliminate duplicates Z: 37 18.919 1.793 0.668 0.784 0.944 0.639 CB 0.869 37 residues pruned to eliminate duplicates Z: 19 9.145 1.700 0.458 0.662 0.889 0.222 CB 0.841 19 residues pruned to eliminate duplicates Z: 21 10.561 1.711 0.515 0.698 0.850 0.650 CB 0.894 21 residues pruned to eliminate duplicates Z: 8 5.343 1.536 0.691 0.783 0.857 0.571 CB 0.707 19 residues pruned to eliminate duplicates Z: 9 10.625 1.606 0.744 0.825 1.000 0.625 CB 1.012 9 residues pruned to eliminate duplicates Z: 19 16.413 1.683 0.776 0.871 0.944 0.667 CB 0.999 18 residues pruned to eliminate duplicates Z: 19 16.244 1.647 0.795 0.881 1.000 0.611 CB 0.938 19 residues pruned to eliminate duplicates Z: 19 19.955 1.914 0.316 0.809 1.000 0.889 CB 1.426 20 residues pruned to eliminate duplicates Z: 16 20.660 1.921 0.357 0.935 1.000 1.000 CB 1.426 16 residues pruned to eliminate duplicates Z: 19 14.884 1.801 0.156 0.896 1.000 0.944 CB 1.206 19 residues pruned to eliminate duplicates Z: 21 17.425 1.863 0.339 0.750 0.950 0.750 CB 1.316 21 residues pruned to eliminate duplicates Z: 20 18.837 1.916 0.427 0.819 0.947 0.895 CB 1.264 20 residues pruned to eliminate duplicates Z: 19 22.528 1.932 0.511 0.830 1.000 0.889 CB 1.368 19 residues pruned to eliminate duplicates Z: 18 21.468 1.941 0.347 0.792 1.000 0.706 CB 1.541 18 residues pruned to eliminate duplicates Z: 20 20.107 1.893 0.456 0.775 0.947 0.684 CB 1.386 20 residues pruned to eliminate duplicates Z: 17 24.424 1.953 0.642 0.851 1.000 0.812 CB 1.410 17 residues pruned to eliminate duplicates Z: 20 20.451 1.913 0.544 0.842 1.000 0.789 CB 1.184 20 residues pruned to eliminate duplicates Z: 20 24.168 1.911 0.581 0.762 1.000 0.684 CB 1.454 20 residues pruned to eliminate duplicates Z: 17 23.955 1.922 0.637 0.902 1.000 0.875 CB 1.357 17 residues pruned to eliminate duplicates Z: 20 18.228 1.800 0.591 0.846 0.895 0.684 CB 1.212 20 residues pruned to eliminate duplicates Z: 20 20.703 1.893 0.536 0.851 1.000 0.895 CB 1.209 20 residues pruned to eliminate duplicates Z: 18 21.661 1.921 0.591 0.812 1.000 0.647 CB 1.311 18 residues pruned to eliminate duplicates Z: 44 32.541 1.923 0.838 0.786 0.907 0.581 CB 1.204 44 residues pruned to eliminate duplicates Z: 11 14.923 1.890 0.529 0.820 1.000 0.700 CB 1.237 11 residues pruned to eliminate duplicates Z: 20 12.997 1.792 0.670 0.498 0.842 0.526 CB 1.186 20 residues pruned to eliminate duplicates Z: 18 12.976 1.764 0.554 0.685 0.882 0.529 CB 1.098 18 residues pruned to eliminate duplicates Z: 13 14.751 1.831 0.786 0.712 0.833 0.500 CB 1.289 13 residues pruned to eliminate duplicates Z: 17 16.657 1.829 0.740 0.723 0.875 0.688 CB 1.223 17 residues pruned to eliminate duplicates Z: 29 27.920 1.899 1.014 0.785 0.929 0.643 CB 1.156 29 residues pruned to eliminate duplicates Z: 17 20.905 1.857 0.740 0.862 0.938 0.750 CB 1.266 17 residues pruned to eliminate duplicates Z: 35 25.143 1.878 0.916 0.725 0.912 0.471 CB 1.073 35 residues pruned to eliminate duplicates Z: 19 18.445 1.785 0.734 0.772 0.944 0.500 CB 1.169 19 residues pruned to eliminate duplicates Z: 34 29.107 1.962 0.849 0.819 0.939 0.818 CB 1.127 35 residues pruned to eliminate duplicates Z: 18 22.493 1.832 0.762 0.837 1.000 0.824 CB 1.264 18 residues pruned to eliminate duplicates Z: 18 23.512 1.888 0.711 0.846 1.000 0.824 CB 1.311 18 residues pruned to eliminate duplicates Z: 20 21.468 1.872 0.529 0.826 1.000 0.895 CB 1.297 20 residues pruned to eliminate duplicates Z: 41 29.061 1.904 0.764 0.818 0.950 0.800 CB 1.093 41 residues pruned to eliminate duplicates Z: 19 23.757 1.885 0.732 0.860 0.944 0.667 CB 1.335 19 residues pruned to eliminate duplicates Z: 21 22.977 1.800 0.640 0.834 1.000 0.900 CB 1.305 21 residues pruned to eliminate duplicates Z: 20 24.930 1.836 0.748 0.892 1.000 0.842 CB 1.281 20 residues pruned to eliminate duplicates Z: 21 14.962 1.892 0.132 0.749 0.950 0.950 CB 1.317 21 residues pruned to eliminate duplicates Z: 23 16.308 1.860 0.220 0.731 1.000 0.909 CB 1.245 23 residues pruned to eliminate duplicates Z: 23 16.735 1.867 0.237 0.731 1.000 0.864 CB 1.255 23 residues pruned to eliminate duplicates Z: 39 24.907 1.907 0.462 0.728 0.921 0.632 CB 1.281 39 residues pruned to eliminate duplicates Z: 22 17.476 1.880 0.392 0.707 0.952 0.619 CB 1.267 22 residues pruned to eliminate duplicates Z: 17 17.995 1.973 0.231 0.877 1.000 0.938 CB 1.346 17 residues pruned to eliminate duplicates Z: 22 15.683 1.884 0.277 0.704 0.952 0.857 CB 1.240 22 residues pruned to eliminate duplicates Z: 23 18.048 1.888 0.374 0.699 1.000 0.727 CB 1.237 23 residues pruned to eliminate duplicates Z: 84 36.786 1.868 0.739 0.703 0.928 0.602 CB 1.114 84 residues pruned to eliminate duplicates Z: 22 18.761 1.875 0.459 0.700 1.000 0.667 CB 1.248 22 residues pruned to eliminate duplicates Z: 19 19.259 1.869 0.439 0.837 0.944 0.722 CB 1.336 21 residues pruned to eliminate duplicates Z: 19 20.169 1.905 0.463 0.875 0.944 0.778 CB 1.313 19 residues pruned to eliminate duplicates Z: 19 19.969 1.875 0.481 0.866 1.000 0.778 CB 1.241 19 residues pruned to eliminate duplicates Z: 21 18.492 1.883 0.553 0.704 0.950 0.700 CB 1.236 21 residues pruned to eliminate duplicates Z: 23 18.066 1.884 0.364 0.742 1.000 0.773 CB 1.206 23 residues pruned to eliminate duplicates Z: 40 27.032 1.952 0.548 0.755 0.949 0.846 CB 1.203 40 residues pruned to eliminate duplicates Z: 20 19.232 1.833 0.451 0.798 0.947 0.842 CB 1.349 20 residues pruned to eliminate duplicates Z: 13 7.360 1.550 0.656 0.428 0.917 0.667 CB 0.973 13 residues pruned to eliminate duplicates Z: 10 5.802 1.696 0.752 0.690 0.778 0.667 CB 0.703 10 residues pruned to eliminate duplicates Z: 11 9.639 1.627 1.136 0.685 0.900 0.700 CB 0.822 11 residues pruned to eliminate duplicates Z: 20 19.190 1.812 0.692 0.840 1.000 0.895 CB 1.072 20 residues pruned to eliminate duplicates Z: 22 19.917 1.824 0.862 0.827 1.000 0.810 CB 0.964 22 residues pruned to eliminate duplicates Z: 14 10.796 1.670 0.835 0.689 0.769 0.462 CB 1.068 15 residues pruned to eliminate duplicates Z: 19 18.173 1.868 0.814 0.931 1.000 1.000 CB 0.883 19 residues pruned to eliminate duplicates Z: 21 15.619 1.788 0.693 0.820 0.950 0.850 CB 0.920 21 residues pruned to eliminate duplicates Z: 26 14.769 1.748 0.775 0.721 0.920 0.680 CB 0.848 26 residues pruned to eliminate duplicates Z: 22 19.006 1.730 0.848 0.772 0.905 0.667 CB 1.127 22 residues pruned to eliminate duplicates Z: 18 20.451 1.858 1.096 0.946 1.000 0.882 CB 0.881 18 residues pruned to eliminate duplicates Z: 8 16.768 2.033 0.857 0.904 1.000 0.857 CB 1.196 8 residues pruned to eliminate duplicates Z: 20 23.156 1.810 1.065 0.859 1.000 0.947 CB 1.046 20 residues pruned to eliminate duplicates Z: 10 12.586 1.912 0.961 0.801 0.889 0.778 CB 0.967 10 residues pruned to eliminate duplicates Z: 13 14.607 1.847 0.883 0.907 1.000 0.833 CB 0.862 13 residues pruned to eliminate duplicates Z: 24 17.208 1.831 1.017 0.791 0.913 0.783 CB 0.825 24 residues pruned to eliminate duplicates Z: 19 11.686 1.751 0.886 0.757 0.889 0.833 CB 0.747 19 residues pruned to eliminate duplicates Z: 23 19.149 1.780 0.902 0.799 1.000 0.727 CB 0.928 23 residues pruned to eliminate duplicates Z: 22 25.777 1.923 0.790 0.855 0.905 0.810 CB 1.333 22 residues pruned to eliminate duplicates Z: 17 14.764 1.948 0.661 0.627 0.875 0.625 CB 1.156 17 residues pruned to eliminate duplicates Z: 23 11.012 1.761 0.440 0.582 0.909 0.591 CB 0.941 23 residues pruned to eliminate duplicates Z: 29 24.370 1.911 0.633 0.770 0.929 0.714 CB 1.252 29 residues pruned to eliminate duplicates Z: 25 24.239 1.976 0.781 0.824 0.917 0.792 CB 1.159 25 residues pruned to eliminate duplicates Z: 18 20.248 1.955 0.620 0.753 1.000 0.706 CB 1.238 18 residues pruned to eliminate duplicates Z: 19 21.188 1.907 0.859 0.712 0.889 0.556 CB 1.308 19 residues pruned to eliminate duplicates Z: 25 24.488 1.962 0.745 0.778 0.958 0.708 CB 1.192 25 residues pruned to eliminate duplicates Z: 24 24.132 1.958 1.038 0.803 0.913 0.348 CB 1.060 24 residues pruned to eliminate duplicates Z: 17 19.398 1.995 0.759 0.621 1.000 0.562 CB 1.233 17 residues pruned to eliminate duplicates Z: 21 31.389 2.052 0.969 0.857 1.000 0.550 CB 1.280 21 residues pruned to eliminate duplicates Z: 17 24.033 1.927 1.093 0.819 0.938 0.438 CB 1.205 17 residues pruned to eliminate duplicates Z: 21 30.466 2.054 0.908 0.848 1.000 0.550 CB 1.290 21 residues pruned to eliminate duplicates Z: 24 27.175 1.997 0.898 0.841 0.957 0.478 CB 1.165 24 residues pruned to eliminate duplicates Z: 24 30.195 1.988 0.969 0.828 1.000 0.478 CB 1.211 24 residues pruned to eliminate duplicates Z: 22 29.826 1.990 1.030 0.819 0.905 0.524 CB 1.350 22 residues pruned to eliminate duplicates Z: 16 13.473 1.867 0.812 0.742 0.867 0.333 CB 0.955 16 residues pruned to eliminate duplicates Z: 24 30.885 2.019 1.026 0.840 1.000 0.739 CB 1.174 24 residues pruned to eliminate duplicates Z: 25 27.332 1.991 0.956 0.807 0.958 0.417 CB 1.144 25 residues pruned to eliminate duplicates Z: 22 28.928 2.041 0.957 0.839 0.952 0.571 CB 1.239 22 residues pruned to eliminate duplicates Z: 25 26.923 1.902 0.928 0.788 1.000 0.750 CB 1.164 25 residues pruned to eliminate duplicates Z: 8 6.240 1.531 0.670 0.625 0.857 0.714 CB 0.957 8 residues pruned to eliminate duplicates Z: 8 4.544 1.500 1.157 0.483 0.571 0.571 CB 0.945 8 residues pruned to eliminate duplicates Z: 7 2.902 1.323 0.865 0.699 0.833 0.667 CB 0.481 7 residues pruned to eliminate duplicates Z: 16 15.219 1.745 0.554 0.930 1.000 0.867 CB 1.013 16 residues pruned to eliminate duplicates Z: 16 13.479 1.769 0.768 0.921 1.000 0.933 CB 0.783 16 residues pruned to eliminate duplicates Z: 10 7.551 1.617 0.972 0.649 0.889 0.667 CB 0.773 10 residues pruned to eliminate duplicates Z: 18 10.496 1.755 0.810 0.794 0.941 0.882 CB 0.658 18 residues pruned to eliminate duplicates Z: 17 14.039 1.848 0.929 0.770 1.000 0.750 CB 0.775 17 residues pruned to eliminate duplicates Z: 18 15.775 1.860 1.017 0.807 1.000 0.824 CB 0.780 18 residues pruned to eliminate duplicates Z: 18 15.027 1.845 0.874 0.796 1.000 0.824 CB 0.813 18 residues pruned to eliminate duplicates Z: 15 16.170 1.740 1.015 0.921 1.000 0.929 CB 0.867 15 residues pruned to eliminate duplicates Z: 18 13.831 1.818 0.807 0.761 0.941 0.824 CB 0.861 18 residues pruned to eliminate duplicates Z: 19 16.065 1.751 1.022 0.812 1.000 0.833 CB 0.815 18 residues pruned to eliminate duplicates Z: 16 16.761 1.796 1.072 0.862 1.000 0.800 CB 0.854 17 residues pruned to eliminate duplicates Z: 18 16.841 1.700 0.964 0.921 0.941 0.941 CB 0.915 18 residues pruned to eliminate duplicates Z: 17 16.403 1.645 1.232 0.908 1.000 0.750 CB 0.793 17 residues pruned to eliminate duplicates Z: 18 11.882 1.804 1.040 0.757 0.882 0.824 CB 0.706 18 residues pruned to eliminate duplicates Z: 21 14.755 1.711 1.134 0.780 0.950 0.650 CB 0.743 21 residues pruned to eliminate duplicates Z: 21 15.312 1.715 1.116 0.729 0.950 0.650 CB 0.808 21 residues pruned to eliminate duplicates Z: 21 13.328 1.700 1.033 0.778 0.900 0.700 CB 0.750 21 residues pruned to eliminate duplicates Z: 20 12.137 1.736 1.079 0.732 0.842 0.526 CB 0.743 20 residues pruned to eliminate duplicates Z: 9 4.993 1.601 0.229 0.528 0.750 0.375 CB 1.164 9 residues pruned to eliminate duplicates Z: 23 10.395 1.759 0.313 0.491 0.909 0.682 CB 1.065 23 residues pruned to eliminate duplicates Z: 26 17.669 1.769 0.889 0.770 0.920 0.720 CB 0.905 25 residues pruned to eliminate duplicates Z: 12 12.832 1.615 0.703 0.880 1.000 0.818 CB 1.019 12 residues pruned to eliminate duplicates Z: 7 7.121 1.775 0.550 0.455 0.833 0.500 CB 1.327 7 residues pruned to eliminate duplicates Z: 14 15.504 1.660 0.843 0.772 0.923 0.692 CB 1.197 14 residues pruned to eliminate duplicates Z: 12 14.167 1.648 0.913 0.710 0.818 0.545 CB 1.369 13 residues pruned to eliminate duplicates Z: 17 16.381 1.531 0.747 0.829 1.000 0.625 CB 1.152 17 residues pruned to eliminate duplicates Z: 17 20.271 1.555 0.895 0.903 1.000 0.750 CB 1.226 17 residues pruned to eliminate duplicates Z: 17 19.612 1.535 0.989 0.896 1.000 0.500 CB 1.150 16 residues pruned to eliminate duplicates Z: 16 21.399 1.593 1.119 0.899 1.000 0.667 CB 1.170 16 residues pruned to eliminate duplicates Z: 18 6.141 1.564 0.456 0.455 0.765 0.412 CB 0.896 13 residues pruned to eliminate duplicates Z: 6 4.492 1.514 0.486 0.388 1.000 0.800 O 1.005 6 residues pruned to eliminate duplicates Z: 21 20.489 1.818 0.553 0.888 1.000 0.800 CB 1.169 21 residues pruned to eliminate duplicates Z: 8 10.298 1.693 0.597 0.608 1.000 0.714 CB 1.300 8 residues pruned to eliminate duplicates Z: 28 15.737 1.752 0.481 0.631 0.926 0.519 CB 1.115 32 residues pruned to eliminate duplicates Z: 10 11.578 1.719 0.435 0.856 0.889 0.778 O 1.298 10 residues pruned to eliminate duplicates Z: 21 15.864 1.803 0.428 0.768 0.800 0.700 CB 1.358 21 residues pruned to eliminate duplicates Z: 22 11.493 1.678 0.443 0.600 0.905 0.524 CB 1.040 22 residues pruned to eliminate duplicates Z: 22 11.229 1.646 0.365 0.562 0.952 0.524 CB 1.079 22 residues pruned to eliminate duplicates Z: 24 21.776 1.852 0.599 0.800 1.000 0.739 CB 1.179 24 residues pruned to eliminate duplicates Z: 35 16.612 1.723 0.542 0.597 0.853 0.588 CB 1.146 35 residues pruned to eliminate duplicates Z: 26 20.389 1.821 0.597 0.688 0.960 0.600 CB 1.229 26 residues pruned to eliminate duplicates Z: 27 20.050 1.782 0.611 0.707 0.923 0.615 CB 1.229 27 residues pruned to eliminate duplicates Z: 15 18.069 1.873 0.662 0.911 0.786 0.571 CB 1.399 15 residues pruned to eliminate duplicates Z: 19 22.963 1.854 0.838 0.874 1.000 0.556 CB 1.156 19 residues pruned to eliminate duplicates Z: 43 20.825 1.797 0.585 0.680 0.857 0.429 CB 1.116 43 residues pruned to eliminate duplicates Z: 31 17.159 1.755 0.530 0.666 0.900 0.600 CB 1.112 31 residues pruned to eliminate duplicates Z: 30 16.575 1.766 0.557 0.572 0.897 0.517 CB 1.165 30 residues pruned to eliminate duplicates Z: 26 19.174 1.799 0.561 0.756 0.920 0.600 CB 1.182 26 residues pruned to eliminate duplicates Z: 15 18.363 1.910 0.765 0.884 0.786 0.571 CB 1.339 15 residues pruned to eliminate duplicates Z: 14 17.906 1.907 0.580 0.913 0.923 0.615 CB 1.264 14 residues pruned to eliminate duplicates Z: 14 9.766 1.791 0.290 0.749 0.846 0.846 CB 1.110 Z: 21 19.587 1.650 0.707 0.830 1.000 0.800 CB 1.169 14 residues pruned to eliminate duplicates Z: 18 19.092 1.782 0.693 0.852 0.941 0.706 CB 1.206 18 residues pruned to eliminate duplicates Z: 38 25.323 1.816 0.642 0.807 0.946 0.649 CB 1.130 38 residues pruned to eliminate duplicates Z: 39 25.039 1.847 0.737 0.805 0.868 0.658 CB 1.117 39 residues pruned to eliminate duplicates Z: 39 26.293 1.821 0.771 0.850 0.921 0.684 CB 1.064 38 residues pruned to eliminate duplicates Z: 17 19.730 1.743 0.693 0.927 1.000 0.875 CB 1.171 17 residues pruned to eliminate duplicates Z: 18 19.381 1.781 0.765 0.881 1.000 0.647 CB 1.083 18 residues pruned to eliminate duplicates Z: 38 28.550 1.841 0.815 0.822 0.946 0.784 CB 1.123 59 residues pruned to eliminate duplicates Z: 42 25.993 1.837 0.692 0.827 0.927 0.805 CB 1.062 42 residues pruned to eliminate duplicates Z: 20 18.806 1.765 0.594 0.799 0.947 0.684 CB 1.246 Z: 18 21.111 1.779 0.701 0.894 1.000 0.824 CB 1.214 20 residues pruned to eliminate duplicates Z: 19 22.621 1.777 0.778 0.894 1.000 0.889 CB 1.211 18 residues pruned to eliminate duplicates Z: 18 24.193 1.795 0.882 0.926 1.000 0.765 CB 1.218 19 residues pruned to eliminate duplicates Z: 17 20.321 1.747 0.810 0.887 0.938 0.938 CB 1.236 17 residues pruned to eliminate duplicates Z: 19 12.638 1.589 0.631 0.621 0.833 0.556 CB 1.230 18 residues pruned to eliminate duplicates Z: 18 24.535 1.787 0.860 0.910 1.000 0.882 CB 1.270 18 residues pruned to eliminate duplicates Z: 7 3.710 1.815 0.146 0.250 0.833 0.333 CB 1.166 7 residues pruned to eliminate duplicates Z: 8 3.293 1.571 0.130 0.342 1.000 0.286 CB 0.833 8 residues pruned to eliminate duplicates Z: 20 14.727 1.925 0.481 0.675 0.895 0.789 CB 1.127 20 residues pruned to eliminate duplicates Z: 18 16.104 1.831 0.523 0.629 0.941 0.765 CB 1.318 19 residues pruned to eliminate duplicates Z: 21 25.604 1.972 0.573 0.928 0.950 0.850 CB 1.360 21 residues pruned to eliminate duplicates Z: 18 12.946 1.844 0.506 0.610 0.882 0.647 CB 1.154 18 residues pruned to eliminate duplicates Z: 21 30.759 1.982 0.936 0.879 0.950 0.700 CB 1.368 21 residues pruned to eliminate duplicates Z: 24 24.594 1.990 0.595 0.726 0.913 0.826 CB 1.443 25 residues pruned to eliminate duplicates Z: 21 25.890 1.998 0.742 0.852 0.900 0.850 CB 1.367 21 residues pruned to eliminate duplicates Z: 20 29.412 2.065 0.809 0.910 0.947 0.895 CB 1.353 20 residues pruned to eliminate duplicates Z: 24 28.786 1.990 0.787 0.793 1.000 0.826 CB 1.305 23 residues pruned to eliminate duplicates Z: 21 30.446 1.973 0.843 0.929 1.000 0.800 CB 1.311 21 residues pruned to eliminate duplicates Z: 23 26.867 1.972 0.790 0.793 1.000 0.727 CB 1.255 23 residues pruned to eliminate duplicates Z: 26 27.885 1.926 0.867 0.801 1.000 0.640 CB 1.192 26 residues pruned to eliminate duplicates Z: 26 25.103 1.934 1.019 0.758 0.960 0.520 CB 1.064 26 residues pruned to eliminate duplicates Z: 25 23.312 1.923 0.847 0.717 0.917 0.375 CB 1.201 25 residues pruned to eliminate duplicates Z: 42 22.899 1.857 0.718 0.616 0.854 0.585 CB 1.177 42 residues pruned to eliminate duplicates Z: 66 38.620 1.970 0.703 0.762 0.908 0.600 CB 1.246 65 residues pruned to eliminate duplicates Z: 18 30.477 2.056 1.179 0.906 1.000 0.647 CB 1.173 18 residues pruned to eliminate duplicates Z: 27 24.403 1.890 0.860 0.723 0.923 0.500 CB 1.206 27 residues pruned to eliminate duplicates Z: 65 33.212 1.950 0.918 0.723 0.828 0.531 CB 1.096 65 residues pruned to eliminate duplicates Z: 18 23.196 1.996 1.155 0.871 0.941 0.647 CB 1.013 18 residues pruned to eliminate duplicates Z: 26 28.823 1.937 0.931 0.806 0.920 0.600 CB 1.282 26 residues pruned to eliminate duplicates Z: 22 20.195 1.947 0.437 0.789 0.905 0.762 CB 1.350 22 residues pruned to eliminate duplicates Z: 23 17.386 1.991 0.438 0.807 0.955 0.727 CB 1.038 23 residues pruned to eliminate duplicates Z: 15 9.656 1.821 0.535 0.583 0.929 0.571 CB 0.918 11 residues pruned to eliminate duplicates Z: 18 25.349 2.060 0.582 0.906 1.000 0.824 CB 1.342 24 residues pruned to eliminate duplicates Z: 20 25.935 2.005 0.607 0.891 1.000 0.789 CB 1.328 18 residues pruned to eliminate duplicates Z: 19 20.249 2.049 0.374 0.914 0.944 0.722 CB 1.270 19 residues pruned to eliminate duplicates Z: 22 19.474 1.960 0.721 0.727 0.952 0.619 CB 1.079 22 residues pruned to eliminate duplicates Z: 20 22.538 1.957 0.741 0.737 0.947 0.579 CB 1.295 20 residues pruned to eliminate duplicates Z: 42 32.489 2.020 0.821 0.719 0.854 0.585 CB 1.326 39 residues pruned to eliminate duplicates Z: 20 27.285 1.977 0.767 0.925 1.000 0.737 CB 1.258 20 residues pruned to eliminate duplicates Z: 61 38.902 2.007 0.889 0.698 0.967 0.567 CB 1.144 61 residues pruned to eliminate duplicates Z: 20 21.903 1.907 0.711 0.655 0.947 0.474 N 1.407 20 residues pruned to eliminate duplicates Z: 18 14.518 1.840 0.997 0.628 0.647 0.588 CB 1.312 18 residues pruned to eliminate duplicates Z: 12 18.788 1.908 0.930 0.785 0.909 0.636 CB 1.316 12 residues pruned to eliminate duplicates Z: 29 23.512 1.919 0.732 0.696 0.929 0.500 CB 1.204 18 residues pruned to eliminate duplicates Z: 14 25.631 1.873 1.199 0.833 0.923 0.385 CB 1.402 14 residues pruned to eliminate duplicates Z: 27 23.117 1.972 0.960 0.707 0.923 0.538 CB 1.053 34 residues pruned to eliminate duplicates Z: 23 26.356 1.856 0.886 0.854 0.909 0.500 CB 1.304 23 residues pruned to eliminate duplicates Z: 31 21.379 1.873 0.825 0.548 0.933 0.500 CB 1.167 16 residues pruned to eliminate duplicates Z: 19 25.895 2.017 1.062 0.927 0.833 0.556 CB 1.234 19 residues pruned to eliminate duplicates Z: 13 20.370 2.079 1.323 0.795 0.833 0.500 CB 1.128 13 residues pruned to eliminate duplicates Z: 37 29.946 1.980 0.724 0.732 0.944 0.611 CB 1.257 36 residues pruned to eliminate duplicates Z: 37 30.616 1.913 0.825 0.765 0.889 0.611 CB 1.300 37 residues pruned to eliminate duplicates Z: 38 35.047 1.962 0.710 0.790 0.919 0.730 CB 1.449 39 residues pruned to eliminate duplicates Z: 15 25.096 2.009 0.652 0.870 1.000 0.786 CB 1.475 15 residues pruned to eliminate duplicates Z: 17 16.314 1.950 0.226 0.769 0.938 0.812 CB 1.434 17 residues pruned to eliminate duplicates Z: 19 18.053 1.948 0.325 0.778 0.944 0.833 CB 1.366 19 residues pruned to eliminate duplicates Z: 64 35.009 1.959 0.592 0.699 0.921 0.698 CB 1.281 64 residues pruned to eliminate duplicates Z: 44 32.392 1.971 0.762 0.758 0.907 0.581 CB 1.247 44 residues pruned to eliminate duplicates Z: 23 16.002 1.847 0.499 0.577 0.818 0.636 CB 1.398 16 residues pruned to eliminate duplicates Z: 24 18.030 1.893 0.485 0.579 0.957 0.522 CB 1.296 25 residues pruned to eliminate duplicates Z: 17 22.770 1.972 0.759 0.868 0.938 0.750 CB 1.280 22 residues pruned to eliminate duplicates Z: 17 22.337 1.938 0.693 0.851 1.000 0.625 CB 1.259 17 residues pruned to eliminate duplicates Z: 18 23.475 2.004 0.677 0.788 1.000 0.765 CB 1.316 18 residues pruned to eliminate duplicates Z: 20 25.260 1.926 0.825 0.903 1.000 0.737 CB 1.175 20 residues pruned to eliminate duplicates Z: 17 27.787 1.950 0.936 0.902 1.000 0.875 CB 1.313 17 residues pruned to eliminate duplicates Z: 19 25.386 1.907 0.831 0.913 1.000 0.889 CB 1.213 19 residues pruned to eliminate duplicates Z: 17 25.978 2.043 0.599 0.915 1.000 1.000 CB 1.405 17 residues pruned to eliminate duplicates Z: 20 15.630 1.881 0.618 0.659 0.842 0.737 CB 1.207 20 residues pruned to eliminate duplicates Z: 28 24.021 2.005 0.866 0.688 0.815 0.630 CB 1.276 28 residues pruned to eliminate duplicates Z: 39 31.561 2.024 0.787 0.821 0.947 0.658 CB 1.131 39 residues pruned to eliminate duplicates Z: 44 33.174 1.970 0.817 0.755 0.953 0.651 CB 1.181 44 residues pruned to eliminate duplicates Z: 27 30.290 2.032 0.991 0.774 0.923 0.615 CB 1.249 27 residues pruned to eliminate duplicates Z: 42 33.503 2.018 0.882 0.801 0.878 0.732 CB 1.206 42 residues pruned to eliminate duplicates Z: 32 30.169 2.023 0.888 0.736 0.935 0.677 CB 1.227 32 residues pruned to eliminate duplicates Z: 22 22.453 1.976 0.667 0.768 0.952 0.762 CB 1.231 22 residues pruned to eliminate duplicates Z: 44 38.075 2.000 0.919 0.834 0.953 0.674 CB 1.189 41 residues pruned to eliminate duplicates Z: 19 25.493 1.988 0.797 0.899 0.944 0.722 CB 1.273 20 residues pruned to eliminate duplicates Z: 21 28.952 1.832 0.902 0.911 1.000 0.850 CB 1.317 21 residues pruned to eliminate duplicates Z: 42 34.380 1.974 0.852 0.763 0.902 0.634 CB 1.289 42 residues pruned to eliminate duplicates Z: 33 33.975 2.007 1.043 0.780 0.938 0.656 CB 1.220 33 residues pruned to eliminate duplicates Z: 42 28.228 1.958 0.802 0.724 0.902 0.659 CB 1.131 42 residues pruned to eliminate duplicates Z: 7 9.117 1.820 0.287 0.701 1.000 1.000 CB 1.323 7 residues pruned to eliminate duplicates Z: 20 15.598 1.918 0.548 0.643 0.842 0.632 CB 1.252 20 residues pruned to eliminate duplicates Z: 40 31.593 1.970 0.913 0.754 0.872 0.615 CB 1.228 40 residues pruned to eliminate duplicates Z: 14 6.652 1.556 0.440 0.357 0.769 0.231 CB 1.249 14 residues pruned to eliminate duplicates Z: 22 18.023 1.910 0.414 0.646 0.952 0.714 CB 1.334 22 residues pruned to eliminate duplicates Z: 25 19.735 1.868 0.402 0.834 1.000 0.917 CB 1.153 25 residues pruned to eliminate duplicates Z: 17 13.632 1.820 0.451 0.788 0.938 0.750 CB 1.069 17 residues pruned to eliminate duplicates Z: 25 21.845 1.922 0.480 0.844 1.000 0.833 CB 1.166 25 residues pruned to eliminate duplicates Z: 26 19.225 1.895 0.478 0.809 0.920 0.800 CB 1.140 26 residues pruned to eliminate duplicates Z: 25 23.554 1.934 0.577 0.838 0.958 0.833 CB 1.229 25 residues pruned to eliminate duplicates Z: 22 23.791 1.972 0.538 0.923 1.000 0.857 CB 1.203 22 residues pruned to eliminate duplicates Z: 30 21.061 1.863 0.684 0.733 0.862 0.621 CB 1.173 30 residues pruned to eliminate duplicates Z: 25 19.818 1.939 0.592 0.850 0.875 0.750 CB 1.110 25 residues pruned to eliminate duplicates Z: 25 21.411 1.930 0.691 0.843 0.958 0.708 CB 1.041 25 residues pruned to eliminate duplicates Z: 22 28.231 1.994 0.734 0.933 1.000 0.857 CB 1.243 22 residues pruned to eliminate duplicates Z: 34 25.954 1.956 0.707 0.770 0.879 0.576 CB 1.212 34 residues pruned to eliminate duplicates Z: 27 21.329 1.944 0.711 0.775 0.846 0.538 CB 1.166 27 residues pruned to eliminate duplicates Z: 34 30.932 1.897 0.880 0.777 0.879 0.545 CB 1.345 34 residues pruned to eliminate duplicates Z: 25 28.257 1.886 0.741 0.920 0.958 0.833 CB 1.291 25 residues pruned to eliminate duplicates Z: 25 26.053 1.881 0.757 0.915 0.958 0.750 CB 1.187 25 residues pruned to eliminate duplicates Z: 25 23.813 1.952 0.912 0.844 0.875 0.833 CB 1.108 26 residues pruned to eliminate duplicates Z: 27 21.653 1.818 0.796 0.773 0.885 0.654 CB 1.155 26 residues pruned to eliminate duplicates Z: 22 21.782 1.893 0.720 0.869 0.905 0.810 CB 1.179 22 residues pruned to eliminate duplicates Z: 36 27.636 1.942 0.671 0.805 0.886 0.629 CB 1.246 36 residues pruned to eliminate duplicates Z: 37 27.367 1.983 0.565 0.752 0.889 0.694 CB 1.320 37 residues pruned to eliminate duplicates Z: 35 32.084 2.003 0.693 0.821 0.941 0.559 CB 1.305 35 residues pruned to eliminate duplicates Z: 20 17.942 1.934 0.585 0.659 0.842 0.368 CB 1.376 20 residues pruned to eliminate duplicates Z: 12 19.755 2.103 0.839 0.825 0.909 0.545 CB 1.278 12 residues pruned to eliminate duplicates Z: 11 13.845 2.125 0.756 0.837 0.700 0.200 CB 1.254 11 residues pruned to eliminate duplicates Z: 15 12.201 2.017 0.799 0.665 0.714 0.143 CB 1.080 15 residues pruned to eliminate duplicates Z: 44 32.521 1.946 0.941 0.834 0.884 0.442 CB 1.113 44 residues pruned to eliminate duplicates Z: 15 17.620 2.008 1.002 0.674 0.857 0.214 CB 1.164 15 residues pruned to eliminate duplicates Z: 13 18.352 2.004 0.847 0.760 0.833 0.167 CB 1.363 13 residues pruned to eliminate duplicates Z: 48 28.934 1.901 0.824 0.732 0.872 0.553 CB 1.132 48 residues pruned to eliminate duplicates Z: 22 19.259 1.926 0.770 0.700 0.952 0.429 CB 1.078 22 residues pruned to eliminate duplicates Z: 43 28.123 1.921 0.869 0.790 0.881 0.333 CB 1.064 43 residues pruned to eliminate duplicates Z: 12 16.689 1.881 0.919 0.825 0.909 0.091 N 1.157 12 residues pruned to eliminate duplicates Z: 43 32.188 1.918 0.938 0.792 0.905 0.405 CB 1.143 43 residues pruned to eliminate duplicates Z: 22 25.288 1.952 0.917 0.742 0.952 0.333 CB 1.246 22 residues pruned to eliminate duplicates Z: 43 36.410 1.921 0.880 0.795 0.929 0.476 CB 1.293 43 residues pruned to eliminate duplicates Z: 20 25.477 1.971 1.034 0.794 0.895 0.105 CB 1.259 20 residues pruned to eliminate duplicates Z: 21 21.003 1.948 0.817 0.758 0.900 0.150 CB 1.172 21 residues pruned to eliminate duplicates Z: 28 17.125 1.842 0.686 0.643 0.889 0.370 CB 1.045 28 residues pruned to eliminate duplicates Z: 22 15.318 1.703 0.884 0.592 0.905 0.238 CB 1.054 22 residues pruned to eliminate duplicates Z: 25 18.887 1.899 0.641 0.673 0.875 0.667 CB 1.205 25 residues pruned to eliminate duplicates Z: 13 3.774 1.674 0.256 0.311 0.833 0.333 CB 0.767 10 residues pruned to eliminate duplicates Z: 12 17.448 1.881 0.979 0.678 1.000 0.636 CB 1.199 12 residues pruned to eliminate duplicates Z: 12 14.115 2.015 0.682 0.784 1.000 0.727 CB 0.978 12 residues pruned to eliminate duplicates Z: 15 11.537 1.889 0.670 0.713 1.000 0.786 CB 0.805 15 residues pruned to eliminate duplicates Z: 21 20.054 2.004 0.590 0.879 1.000 0.800 CB 1.021 21 residues pruned to eliminate duplicates Z: 22 18.409 2.005 0.537 0.846 0.952 0.857 CB 1.017 22 residues pruned to eliminate duplicates Z: 22 17.056 1.988 0.504 0.800 0.952 0.762 CB 1.005 22 residues pruned to eliminate duplicates Z: 20 19.611 2.036 0.591 0.803 1.000 0.789 CB 1.066 20 residues pruned to eliminate duplicates Z: 23 19.119 2.071 0.567 0.775 0.909 0.682 CB 1.084 23 residues pruned to eliminate duplicates Z: 17 22.495 2.133 0.791 0.916 0.938 0.875 CB 1.109 17 residues pruned to eliminate duplicates Z: 24 23.886 1.994 0.810 0.817 1.000 0.913 CB 1.048 24 residues pruned to eliminate duplicates Z: 21 26.254 2.033 0.741 0.924 1.000 0.900 CB 1.165 25 residues pruned to eliminate duplicates Z: 19 25.161 2.116 0.740 0.907 1.000 0.833 CB 1.146 19 residues pruned to eliminate duplicates Z: 30 18.918 1.980 0.578 0.667 0.931 0.724 CB 1.035 30 residues pruned to eliminate duplicates Z: 26 21.561 2.023 0.668 0.738 0.960 0.680 CB 1.075 23 residues pruned to eliminate duplicates Z: 19 25.542 2.104 0.849 0.928 1.000 0.944 CB 1.084 22 residues pruned to eliminate duplicates Z: 19 24.167 2.121 0.856 0.943 1.000 0.889 CB 1.003 19 residues pruned to eliminate duplicates Z: 21 25.821 2.156 0.787 0.835 1.000 0.750 CB 1.123 21 residues pruned to eliminate duplicates Z: 32 23.484 1.994 0.731 0.679 0.968 0.710 CB 1.071 32 residues pruned to eliminate duplicates Z: 26 21.040 2.005 0.700 0.699 0.920 0.680 CB 1.119 26 residues pruned to eliminate duplicates Z: 20 20.761 2.090 0.797 0.873 0.947 0.789 CB 0.975 20 residues pruned to eliminate duplicates Z: 43 28.602 1.983 0.767 0.754 0.929 0.786 CB 1.082 38 residues pruned to eliminate duplicates Z: 21 19.249 1.911 0.638 0.803 0.850 0.850 CB 1.241 21 residues pruned to eliminate duplicates Z: 14 11.334 1.977 0.261 0.758 0.846 0.692 CB 1.184 14 residues pruned to eliminate duplicates Z: 15 12.901 1.887 0.391 0.702 0.786 0.643 CB 1.392 15 residues pruned to eliminate duplicates Z: 12 17.663 1.983 0.395 0.810 1.000 1.000 CB 1.470 12 residues pruned to eliminate duplicates Z: 37 23.560 1.983 0.562 0.776 0.889 0.778 CB 1.117 37 residues pruned to eliminate duplicates Z: 12 11.826 1.902 0.282 0.812 0.909 0.818 CB 1.226 12 residues pruned to eliminate duplicates Z: 34 24.382 1.992 0.644 0.758 0.939 0.818 CB 1.097 34 residues pruned to eliminate duplicates Z: 18 21.673 1.944 0.581 0.825 1.000 0.882 CB 1.291 18 residues pruned to eliminate duplicates Z: 19 24.957 1.980 0.712 0.829 1.000 0.722 CB 1.306 19 residues pruned to eliminate duplicates Z: 41 33.573 2.018 0.703 0.816 0.950 0.800 CB 1.235 45 residues pruned to eliminate duplicates Z: 18 29.836 1.996 0.860 0.928 1.000 0.882 CB 1.366 18 residues pruned to eliminate duplicates Z: 19 23.956 1.951 0.758 0.813 0.944 0.778 CB 1.327 19 residues pruned to eliminate duplicates Z: 42 29.131 1.977 0.790 0.751 0.927 0.780 CB 1.109 42 residues pruned to eliminate duplicates Z: 38 29.581 2.022 0.896 0.824 0.973 0.703 CB 0.984 38 residues pruned to eliminate duplicates Z: 37 33.789 2.030 0.912 0.848 0.944 0.639 CB 1.140 37 residues pruned to eliminate duplicates Z: 7 5.355 1.651 0.545 0.604 0.667 0.333 CB 1.165 7 residues pruned to eliminate duplicates Z: 39 31.151 2.024 0.844 0.804 0.921 0.711 CB 1.127 39 residues pruned to eliminate duplicates Z: 21 21.253 1.917 0.705 0.706 0.900 0.400 CB 1.339 21 residues pruned to eliminate duplicates Z: 39 32.136 1.998 0.865 0.839 0.947 0.737 CB 1.103 39 residues pruned to eliminate duplicates Z: 20 10.934 1.722 0.374 0.589 0.947 0.632 CB 1.028 20 residues pruned to eliminate duplicates Z: 27 9.843 1.688 0.449 0.494 0.731 0.423 CB 1.087 24 residues pruned to eliminate duplicates Z: 16 16.885 1.840 0.367 0.928 1.000 1.000 CB 1.214 16 residues pruned to eliminate duplicates Z: 13 16.455 1.899 0.598 0.824 0.917 0.750 CB 1.291 13 residues pruned to eliminate duplicates Z: 29 16.508 1.713 0.541 0.684 0.929 0.786 CB 1.074 29 residues pruned to eliminate duplicates Z: 22 16.953 1.714 0.513 0.752 1.000 0.762 CB 1.140 22 residues pruned to eliminate duplicates Z: 14 16.945 1.862 0.525 0.780 0.923 0.769 CB 1.401 14 residues pruned to eliminate duplicates Z: 15 14.333 1.859 0.476 0.789 0.929 0.786 CB 1.166 15 residues pruned to eliminate duplicates Z: 15 15.098 1.882 0.438 0.760 0.929 0.714 CB 1.275 15 residues pruned to eliminate duplicates Z: 8 7.338 1.519 0.599 0.603 0.857 0.571 CB 1.208 8 residues pruned to eliminate duplicates Z: 20 12.406 1.735 0.326 0.662 0.895 0.579 CB 1.189 20 residues pruned to eliminate duplicates Z: 23 11.602 1.622 0.341 0.726 0.864 0.636 CB 1.074 23 residues pruned to eliminate duplicates Z: 19 16.368 1.734 0.591 0.769 0.944 0.778 CB 1.166 19 residues pruned to eliminate duplicates Z: 12 8.226 1.522 0.524 0.622 0.909 0.545 CB 1.048 12 residues pruned to eliminate duplicates Z: 8 7.788 1.643 0.669 0.663 0.857 0.714 CB 1.077 8 residues pruned to eliminate duplicates Z: 39 31.429 1.923 0.930 0.794 0.895 0.500 CB 1.186 19 residues pruned to eliminate duplicates Z: 15 25.686 1.896 0.726 0.935 1.000 0.929 CB 1.462 15 residues pruned to eliminate duplicates Z: 36 28.972 1.923 0.799 0.731 0.943 0.629 CB 1.220 36 residues pruned to eliminate duplicates Z: 31 29.868 2.000 0.823 0.802 0.900 0.667 CB 1.277 31 residues pruned to eliminate duplicates Z: 39 34.012 1.937 0.876 0.828 0.947 0.684 CB 1.207 39 residues pruned to eliminate duplicates Z: 18 21.944 1.847 0.740 0.768 0.882 0.588 CB 1.481 18 residues pruned to eliminate duplicates Z: 17 19.603 1.840 0.863 0.812 0.812 0.438 CB 1.341 17 residues pruned to eliminate duplicates Z: 40 31.439 1.904 0.858 0.837 0.949 0.538 CB 1.121 39 residues pruned to eliminate duplicates Z: 22 22.512 1.678 0.810 0.874 0.905 0.476 CB 1.301 22 residues pruned to eliminate duplicates Z: 39 33.233 1.915 0.875 0.799 0.895 0.579 CB 1.292 39 residues pruned to eliminate duplicates Z: 40 31.202 1.925 0.836 0.810 0.923 0.564 CB 1.168 40 residues pruned to eliminate duplicates Z: 37 28.476 1.930 0.780 0.805 0.889 0.583 CB 1.191 20 residues pruned to eliminate duplicates Z: 20 25.291 1.772 0.875 0.865 0.947 0.632 CB 1.350 20 residues pruned to eliminate duplicates Z: 39 34.464 1.955 0.891 0.815 0.921 0.632 CB 1.249 38 residues pruned to eliminate duplicates Z: 18 24.857 1.860 0.823 0.861 0.941 0.647 CB 1.388 18 residues pruned to eliminate duplicates Z: 41 37.727 1.931 0.882 0.837 0.975 0.575 CB 1.259 41 residues pruned to eliminate duplicates 855 residues left after pruning, divided into chains as follows: A: 21 B: 16 C: 36 D: 42 E: 105 F: 37 G: 38 H: 19 I: 84 J: 43 K: 42 L: 84 M: 247 N: 41 CC for partial structure against native data = 44.48 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.645, Connect. = 0.725 for dens.mod. cycle 1 = 0.300, Contrast = 0.730, Connect. = 0.751 for dens.mod. cycle 2 = 0.300, Contrast = 0.868, Connect. = 0.774 for dens.mod. cycle 3 = 0.300, Contrast = 0.883, Connect. = 0.773 for dens.mod. cycle 4 = 0.300, Contrast = 0.892, Connect. = 0.773 for dens.mod. cycle 5 = 0.300, Contrast = 0.893, Connect. = 0.774 for dens.mod. cycle 6 = 0.300, Contrast = 0.894, Connect. = 0.774 for dens.mod. cycle 7 = 0.300, Contrast = 0.892, Connect. = 0.775 for dens.mod. cycle 8 = 0.300, Contrast = 0.890, Connect. = 0.775 for dens.mod. cycle 9 = 0.300, Contrast = 0.887, Connect. = 0.775 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2842 peaks > 0.5 sigma used to seed fragment search Space for about 1576 unique residues taking solvent into account 686 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 26.222 1.963 0.464 0.910 1.000 0.857 CB 1.413 B: 20 24.185 1.880 1.027 0.891 1.000 0.842 CB 1.047 C: 20 20.783 2.011 0.986 0.883 0.947 0.789 CB 0.911 D: 19 24.238 1.976 0.812 0.805 1.000 0.444 CB 1.222 E: 19 20.641 1.925 0.407 0.898 0.944 0.944 CB 1.360 19 residues pruned to eliminate duplicates F: 21 22.950 1.963 0.454 0.892 0.950 0.800 CB 1.358 21 residues pruned to eliminate duplicates G: 22 26.901 1.883 0.763 0.898 1.000 0.952 CB 1.265 H: 21 24.551 1.907 0.943 0.879 0.950 0.450 CB 1.130 I: 17 21.925 1.955 0.863 0.927 0.938 0.812 CB 1.125 17 residues pruned to eliminate duplicates J: 20 18.959 1.981 0.834 0.912 1.000 0.789 CB 0.848 20 residues pruned to eliminate duplicates K: 16 18.935 1.881 0.418 0.921 1.000 0.933 CB 1.290 L: 23 24.426 2.005 0.571 0.931 1.000 0.864 CB 1.155 M: 17 25.508 1.950 0.532 0.874 0.938 0.750 CB 1.656 N: 18 24.630 2.033 0.633 0.921 1.000 0.882 CB 1.266 19 residues pruned to eliminate duplicates O: 26 24.982 1.899 0.594 0.890 0.960 0.800 CB 1.237 23 residues pruned to eliminate duplicates P: 14 11.817 1.629 0.635 0.859 1.000 0.769 CB 0.905 Q: 12 23.627 1.945 1.078 0.924 0.909 0.818 CB 1.361 11 residues pruned to eliminate duplicates R: 19 26.688 1.912 0.636 0.919 1.000 0.778 CB 1.417 19 residues pruned to eliminate duplicates S: 18 20.655 1.966 0.561 0.913 1.000 0.706 CB 1.156 T: 19 17.566 1.987 0.690 0.931 1.000 0.889 CB 0.862 19 residues pruned to eliminate duplicates U: 22 29.042 1.972 0.755 0.901 0.952 0.857 CB 1.372 V: 21 25.106 1.972 0.916 0.917 0.950 0.950 CB 1.104 W: 18 23.023 1.934 0.869 0.876 0.941 0.647 CB 1.193 X: 20 22.985 1.821 0.749 0.868 0.895 0.789 CB 1.353 Y: 13 8.002 1.702 0.727 0.517 0.917 0.583 CB 0.843 Z: 19 22.599 1.969 0.761 0.912 0.889 0.500 CB 1.224 Z: 19 18.663 1.930 0.303 0.894 0.944 0.889 CB 1.329 18 residues pruned to eliminate duplicates Z: 21 25.987 1.949 0.706 0.882 0.950 0.800 CB 1.331 19 residues pruned to eliminate duplicates Z: 26 29.199 1.952 0.665 0.901 0.960 0.920 CB 1.336 Z: 16 17.560 1.798 0.631 0.891 1.000 0.867 CB 1.112 Z: 22 24.691 1.948 0.474 0.868 1.000 0.762 CB 1.371 22 residues pruned to eliminate duplicates Z: 20 19.381 1.947 0.469 0.910 0.947 0.684 CB 1.163 19 residues pruned to eliminate duplicates Z: 16 27.915 1.924 0.773 0.896 1.000 0.933 CB 1.513 16 residues pruned to eliminate duplicates Z: 19 15.512 1.752 0.486 0.764 0.833 0.667 CB 1.334 Z: 21 30.734 1.989 0.908 0.883 0.950 0.800 CB 1.379 Z: 22 6.387 1.595 0.423 0.393 0.810 0.524 CB 0.849 Z: 22 26.640 1.955 0.571 0.915 0.952 0.810 CB 1.405 22 residues pruned to eliminate duplicates Z: 18 26.020 1.866 0.703 0.906 1.000 0.882 CB 1.412 17 residues pruned to eliminate duplicates Z: 22 29.890 1.874 0.759 0.928 1.000 0.810 CB 1.386 22 residues pruned to eliminate duplicates Z: 20 25.299 1.992 0.634 0.924 1.000 0.895 CB 1.252 20 residues pruned to eliminate duplicates Z: 20 27.619 2.004 0.933 0.927 0.947 0.684 CB 1.210 20 residues pruned to eliminate duplicates Z: 7 6.039 1.844 0.064 0.887 1.000 0.833 CB 0.906 Z: 19 22.753 2.019 0.613 0.923 1.000 0.889 CB 1.158 19 residues pruned to eliminate duplicates Z: 24 27.655 1.938 0.812 0.938 1.000 0.783 CB 1.142 24 residues pruned to eliminate duplicates Z: 19 24.393 1.929 0.504 0.890 1.000 0.889 CB 1.426 20 residues pruned to eliminate duplicates Z: 22 20.347 1.825 0.737 0.900 0.905 0.762 CB 1.106 22 residues pruned to eliminate duplicates Z: 22 18.388 1.859 0.538 0.863 0.905 0.667 CB 1.138 22 residues pruned to eliminate duplicates Z: 14 22.188 1.992 0.504 0.922 1.000 1.000 CB 1.444 Z: 20 21.282 1.793 0.617 0.828 0.947 0.737 CB 1.338 21 residues pruned to eliminate duplicates Z: 22 21.585 1.893 1.199 0.868 0.952 0.762 CB 0.869 20 residues pruned to eliminate duplicates Z: 20 20.815 1.876 0.496 0.876 1.000 0.842 CB 1.237 19 residues pruned to eliminate duplicates Z: 22 23.908 1.948 0.397 0.879 0.952 0.857 CB 1.459 22 residues pruned to eliminate duplicates Z: 24 22.638 1.987 0.419 0.892 1.000 0.739 CB 1.202 24 residues pruned to eliminate duplicates Z: 24 26.809 1.852 0.828 0.857 0.957 0.783 CB 1.272 24 residues pruned to eliminate duplicates Z: 19 21.628 1.923 0.557 0.890 0.944 0.778 CB 1.297 20 residues pruned to eliminate duplicates Z: 18 24.003 1.956 0.654 0.909 1.000 0.824 CB 1.277 Z: 15 16.494 1.782 0.422 0.838 1.000 0.714 CB 1.301 17 residues pruned to eliminate duplicates Z: 20 19.353 1.819 0.494 0.896 1.000 0.895 CB 1.170 Z: 17 24.344 1.994 0.505 0.913 1.000 0.812 CB 1.436 18 residues pruned to eliminate duplicates Z: 23 22.961 1.849 0.632 0.901 0.955 0.864 CB 1.214 23 residues pruned to eliminate duplicates Z: 17 22.936 1.883 0.392 0.917 1.000 1.000 CB 1.543 Z: 17 29.629 1.925 1.033 0.879 1.000 0.625 CB 1.372 17 residues pruned to eliminate duplicates Z: 19 24.460 1.971 0.573 0.894 1.000 0.833 CB 1.333 19 residues pruned to eliminate duplicates Z: 23 22.645 1.888 0.839 0.843 0.864 0.682 CB 1.199 23 residues pruned to eliminate duplicates Z: 21 29.959 1.964 0.982 0.866 0.950 0.750 CB 1.327 21 residues pruned to eliminate duplicates Z: 14 18.719 1.901 0.740 0.786 0.923 0.615 CB 1.323 Z: 19 15.171 1.861 0.687 0.900 0.944 0.778 CB 0.861 Z: 20 20.349 1.712 0.502 0.807 1.000 0.789 CB 1.389 19 residues pruned to eliminate duplicates Z: 21 18.908 1.888 0.431 0.873 1.000 0.750 CB 1.140 21 residues pruned to eliminate duplicates Z: 24 22.242 1.835 0.698 0.906 0.957 0.870 CB 1.106 24 residues pruned to eliminate duplicates Z: 17 16.918 1.863 0.426 0.906 1.000 0.812 CB 1.132 Z: 12 14.535 1.841 0.622 0.881 1.000 0.909 CB 1.063 Z: 23 26.876 1.906 0.752 0.896 0.955 0.727 CB 1.288 22 residues pruned to eliminate duplicates Z: 13 10.415 1.690 0.619 0.934 0.917 0.667 CB 0.836 7 residues pruned to eliminate duplicates Z: 22 24.888 1.936 0.556 0.883 0.952 0.762 CB 1.369 22 residues pruned to eliminate duplicates Z: 23 25.307 2.026 0.650 0.926 0.955 0.909 CB 1.186 23 residues pruned to eliminate duplicates Z: 15 23.891 1.863 0.908 0.882 1.000 0.786 CB 1.299 15 residues pruned to eliminate duplicates Z: 21 23.118 1.837 0.553 0.941 0.950 0.950 CB 1.324 16 residues pruned to eliminate duplicates Z: 15 18.863 1.833 0.604 0.849 1.000 0.643 CB 1.271 14 residues pruned to eliminate duplicates Z: 18 22.339 1.894 0.520 0.915 1.000 0.765 CB 1.330 14 residues pruned to eliminate duplicates Z: 19 25.050 2.017 1.107 0.951 1.000 0.944 CB 0.958 19 residues pruned to eliminate duplicates Z: 19 24.823 1.980 0.652 0.883 0.944 0.722 CB 1.370 19 residues pruned to eliminate duplicates Z: 17 21.184 1.914 0.506 0.889 1.000 0.750 CB 1.323 18 residues pruned to eliminate duplicates Z: 24 27.923 1.830 0.920 0.874 0.957 0.652 CB 1.261 24 residues pruned to eliminate duplicates Z: 18 21.705 1.974 0.542 0.874 1.000 0.882 CB 1.258 18 residues pruned to eliminate duplicates Z: 19 20.563 1.908 0.604 0.885 0.944 0.833 CB 1.211 21 residues pruned to eliminate duplicates Z: 19 17.910 1.830 0.599 0.916 0.944 0.889 CB 1.079 19 residues pruned to eliminate duplicates Z: 19 27.232 1.949 0.629 0.923 0.944 0.833 CB 1.505 14 residues pruned to eliminate duplicates Z: 18 16.185 1.945 0.340 0.823 0.882 0.824 CB 1.290 Z: 23 31.957 2.079 0.808 0.906 1.000 0.818 CB 1.289 24 residues pruned to eliminate duplicates Z: 18 28.773 2.025 0.905 0.926 1.000 0.765 CB 1.269 19 residues pruned to eliminate duplicates Z: 17 25.089 1.944 0.780 0.922 1.000 0.938 CB 1.275 17 residues pruned to eliminate duplicates Z: 22 24.023 1.900 0.661 0.911 0.905 0.857 CB 1.302 22 residues pruned to eliminate duplicates Z: 24 19.254 1.980 0.249 0.884 0.957 0.870 CB 1.226 24 residues pruned to eliminate duplicates Z: 22 24.010 1.911 0.629 0.901 0.952 0.762 CB 1.262 19 residues pruned to eliminate duplicates Z: 15 16.081 1.752 0.656 0.927 1.000 1.000 CB 1.038 Z: 23 21.734 1.805 0.593 0.895 0.955 0.818 CB 1.210 23 residues pruned to eliminate duplicates Z: 19 21.758 1.927 0.712 0.900 0.944 0.667 CB 1.176 19 residues pruned to eliminate duplicates Z: 20 20.315 1.916 0.816 0.914 1.000 0.737 CB 0.948 Z: 20 22.585 1.985 0.699 0.900 0.947 0.895 CB 1.158 20 residues pruned to eliminate duplicates Z: 23 22.703 2.003 0.515 0.900 0.955 0.864 CB 1.193 23 residues pruned to eliminate duplicates Z: 20 24.320 1.916 0.697 0.929 0.947 0.895 CB 1.267 20 residues pruned to eliminate duplicates Z: 16 13.340 1.779 0.499 0.910 1.000 0.933 CB 0.916 16 residues pruned to eliminate duplicates Z: 18 23.395 2.023 0.438 0.915 1.000 0.882 CB 1.379 18 residues pruned to eliminate duplicates Z: 19 16.419 1.727 0.277 0.919 1.000 0.833 CB 1.237 Z: 18 16.968 1.734 0.669 0.852 0.941 0.765 CB 1.117 12 residues pruned to eliminate duplicates Z: 23 36.808 2.077 0.962 0.941 1.000 0.727 CB 1.336 25 residues pruned to eliminate duplicates Z: 19 27.591 1.958 0.716 0.897 1.000 0.944 CB 1.386 19 residues pruned to eliminate duplicates Z: 18 19.138 1.990 0.719 0.908 0.941 0.882 CB 1.024 20 residues pruned to eliminate duplicates Z: 18 23.115 1.963 0.882 0.882 1.000 0.706 CB 1.098 18 residues pruned to eliminate duplicates Z: 8 9.473 1.762 0.716 0.434 0.857 0.857 CA 1.479 Z: 15 24.380 2.048 0.865 0.910 1.000 0.786 CB 1.210 15 residues pruned to eliminate duplicates Z: 18 24.614 1.964 0.910 0.879 0.941 0.941 CB 1.226 19 residues pruned to eliminate duplicates Z: 16 22.107 1.999 0.503 0.870 0.933 0.800 CB 1.485 16 residues pruned to eliminate duplicates Z: 18 14.558 1.857 0.304 0.896 0.941 0.706 CB 1.109 17 residues pruned to eliminate duplicates Z: 21 23.868 1.965 0.409 0.919 0.950 0.900 CB 1.430 21 residues pruned to eliminate duplicates Z: 16 19.498 1.945 0.351 0.834 1.000 0.600 CB 1.437 16 residues pruned to eliminate duplicates Z: 20 21.641 1.712 0.924 0.893 0.895 0.632 CB 1.210 18 residues pruned to eliminate duplicates Z: 18 26.672 1.989 0.614 0.918 1.000 1.000 CB 1.422 18 residues pruned to eliminate duplicates Z: 23 22.158 2.021 0.800 0.811 0.909 0.818 CB 1.089 22 residues pruned to eliminate duplicates Z: 20 21.636 1.882 0.620 0.873 0.895 0.684 CB 1.325 20 residues pruned to eliminate duplicates Z: 13 26.032 2.032 0.855 0.915 0.917 0.750 CB 1.537 13 residues pruned to eliminate duplicates Z: 24 22.028 1.952 0.424 0.888 1.000 0.913 CB 1.191 23 residues pruned to eliminate duplicates Z: 6 7.895 2.006 0.626 0.765 0.800 0.800 CB 1.070 Z: 19 26.036 1.963 0.871 0.829 0.889 0.722 CB 1.415 19 residues pruned to eliminate duplicates Z: 24 34.594 2.038 0.979 0.921 1.000 0.696 CB 1.258 24 residues pruned to eliminate duplicates Z: 21 24.847 1.919 0.739 0.897 0.950 0.850 CB 1.255 21 residues pruned to eliminate duplicates Z: 12 13.689 1.727 0.701 0.910 1.000 0.818 CB 0.996 Z: 15 15.266 1.821 0.528 0.903 1.000 0.786 CB 1.045 15 residues pruned to eliminate duplicates Z: 18 23.412 1.808 0.692 0.867 0.941 0.882 CB 1.443 18 residues pruned to eliminate duplicates Z: 7 4.817 1.762 0.454 0.840 1.000 0.500 CB 0.573 7 residues pruned to eliminate duplicates Z: 17 27.286 1.932 0.845 0.915 1.000 0.562 CB 1.352 17 residues pruned to eliminate duplicates Z: 22 20.872 1.841 0.695 0.892 0.905 0.714 CB 1.159 22 residues pruned to eliminate duplicates Z: 24 28.952 1.933 0.819 0.942 0.957 0.826 CB 1.245 24 residues pruned to eliminate duplicates Z: 18 16.932 1.900 1.069 0.919 1.000 0.706 CB 0.736 Z: 19 23.330 1.930 0.535 0.859 1.000 0.889 CB 1.366 19 residues pruned to eliminate duplicates Z: 23 25.023 1.842 0.708 0.870 1.000 0.955 CB 1.238 23 residues pruned to eliminate duplicates Z: 18 12.293 1.822 0.549 0.725 0.824 0.412 CB 1.047 18 residues pruned to eliminate duplicates Z: 23 27.425 1.990 0.748 0.942 1.000 0.955 CB 1.166 23 residues pruned to eliminate duplicates Z: 25 28.038 1.929 0.836 0.914 0.958 0.667 CB 1.192 25 residues pruned to eliminate duplicates Z: 17 13.352 1.781 0.278 0.847 0.938 0.812 CB 1.162 17 residues pruned to eliminate duplicates Z: 19 24.743 1.905 0.544 0.926 1.000 1.000 CB 1.390 19 residues pruned to eliminate duplicates Z: 19 18.318 1.884 0.493 0.909 1.000 0.833 CB 1.090 19 residues pruned to eliminate duplicates Z: 18 21.005 1.947 0.413 0.927 1.000 0.882 CB 1.297 18 residues pruned to eliminate duplicates Z: 22 20.818 1.851 0.742 0.898 0.905 0.810 CB 1.114 22 residues pruned to eliminate duplicates Z: 19 16.314 1.858 0.409 0.818 0.944 0.833 CB 1.180 19 residues pruned to eliminate duplicates Z: 22 21.214 1.782 0.877 0.844 0.857 0.524 CB 1.201 22 residues pruned to eliminate duplicates Z: 25 19.011 1.759 0.504 0.893 0.958 0.875 CB 1.098 23 residues pruned to eliminate duplicates Z: 18 27.282 2.023 0.684 0.875 1.000 0.882 CB 1.413 18 residues pruned to eliminate duplicates Z: 13 16.022 1.809 0.402 0.855 1.000 0.833 CB 1.346 13 residues pruned to eliminate duplicates Z: 20 27.485 1.921 0.560 0.917 1.000 0.789 CB 1.485 19 residues pruned to eliminate duplicates Z: 20 22.309 1.970 0.539 0.920 0.895 0.842 CB 1.328 20 residues pruned to eliminate duplicates Z: 18 23.899 1.967 0.669 0.903 0.941 0.706 CB 1.337 18 residues pruned to eliminate duplicates Z: 13 13.945 1.900 0.566 0.796 0.917 0.583 CB 1.139 Z: 21 23.704 1.922 0.477 0.885 1.000 0.850 CB 1.348 21 residues pruned to eliminate duplicates Z: 22 12.619 1.665 0.500 0.774 0.905 0.762 CB 0.956 Z: 39 27.165 2.021 0.773 0.715 0.947 0.711 CB 1.069 41 residues pruned to eliminate duplicates Z: 16 20.922 1.896 0.632 0.867 1.000 0.667 CB 1.277 16 residues pruned to eliminate duplicates Z: 19 20.710 1.793 0.528 0.912 1.000 0.833 CB 1.262 19 residues pruned to eliminate duplicates Z: 20 17.378 1.910 0.939 0.905 0.789 0.474 CB 0.970 20 residues pruned to eliminate duplicates Z: 20 20.515 1.892 0.642 0.842 1.000 0.632 CB 1.129 20 residues pruned to eliminate duplicates Z: 19 17.508 1.870 0.763 0.925 1.000 0.889 CB 0.879 18 residues pruned to eliminate duplicates Z: 19 18.310 1.936 0.896 0.886 1.000 0.444 CB 0.848 19 residues pruned to eliminate duplicates Z: 18 25.078 1.986 0.751 0.890 0.941 0.882 CB 1.338 19 residues pruned to eliminate duplicates Z: 22 23.959 1.938 0.472 0.863 0.952 0.619 CB 1.412 22 residues pruned to eliminate duplicates Z: 17 20.836 1.961 0.247 0.921 1.000 1.000 CB 1.499 17 residues pruned to eliminate duplicates Z: 18 21.146 1.936 0.522 0.876 1.000 0.824 CB 1.265 17 residues pruned to eliminate duplicates Z: 14 16.654 1.796 0.747 0.894 0.923 0.538 CB 1.144 Z: 24 20.435 1.897 0.493 0.910 0.957 0.957 CB 1.115 24 residues pruned to eliminate duplicates 6 1.484 1.410 0.450 0.295 0.400 0.400 CB 1.021 ? Z: 15 13.099 1.778 0.589 0.810 0.857 0.714 CB 1.103 10 residues pruned to eliminate duplicates Z: 19 20.834 1.937 0.517 0.873 0.944 0.556 CB 1.289 19 residues pruned to eliminate duplicates Z: 18 25.066 1.780 0.757 0.908 1.000 0.882 CB 1.381 17 residues pruned to eliminate duplicates Z: 12 3.990 1.757 0.825 0.773 0.909 0.636 CB 0.324 Z: 15 14.689 1.696 0.405 0.847 0.929 0.786 CB 1.317 Z: 18 21.501 1.885 0.458 0.878 0.941 0.941 O 1.463 17 residues pruned to eliminate duplicates Z: 16 21.113 1.962 0.411 0.911 1.000 0.933 CB 1.396 16 residues pruned to eliminate duplicates Z: 20 23.988 1.813 0.518 0.867 1.000 0.789 CB 1.462 20 residues pruned to eliminate duplicates Z: 19 23.011 1.887 0.570 0.892 0.944 0.722 CB 1.392 19 residues pruned to eliminate duplicates Z: 7 11.169 1.897 0.334 0.860 1.000 0.500 CB 1.325 10 residues pruned to eliminate duplicates Z: 17 18.050 1.880 0.564 0.928 1.000 1.000 CB 1.074 18 residues pruned to eliminate duplicates Z: 11 13.295 1.873 0.673 0.872 1.000 0.700 CB 0.979 11 residues pruned to eliminate duplicates Z: 20 17.877 1.883 0.407 0.768 0.947 0.789 CB 1.289 20 residues pruned to eliminate duplicates Z: 21 29.714 1.947 1.198 0.925 1.000 0.800 CB 1.089 20 residues pruned to eliminate duplicates Z: 22 16.561 1.821 0.614 0.868 0.952 0.381 CB 0.944 22 residues pruned to eliminate duplicates Z: 16 14.010 1.804 0.545 0.926 1.000 0.933 CB 0.910 16 residues pruned to eliminate duplicates Z: 19 15.833 1.865 0.936 0.936 1.000 0.944 CB 0.720 19 residues pruned to eliminate duplicates Z: 19 27.448 1.904 0.742 0.919 1.000 0.722 CB 1.375 17 residues pruned to eliminate duplicates Z: 18 23.317 1.970 0.695 0.884 0.941 0.824 CB 1.300 19 residues pruned to eliminate duplicates Z: 26 22.447 1.890 0.376 0.926 0.960 0.880 CB 1.261 26 residues pruned to eliminate duplicates Z: 19 27.400 1.913 0.651 0.926 1.000 0.889 CB 1.434 19 residues pruned to eliminate duplicates Z: 8 7.355 1.785 0.322 0.633 0.857 0.571 CB 1.213 8 residues pruned to eliminate duplicates Z: 16 23.285 1.984 0.377 0.884 1.000 0.867 CB 1.590 16 residues pruned to eliminate duplicates Z: 19 13.722 1.826 0.184 0.862 0.944 0.833 CB 1.163 19 residues pruned to eliminate duplicates Z: 20 25.211 1.903 0.816 0.888 0.947 0.737 CB 1.273 19 residues pruned to eliminate duplicates Z: 16 17.480 1.815 0.645 0.886 1.000 0.800 CB 1.091 16 residues pruned to eliminate duplicates Z: 20 18.182 1.863 0.801 0.883 0.947 0.579 CB 0.949 20 residues pruned to eliminate duplicates Z: 18 19.423 1.855 0.593 0.952 1.000 0.941 CB 1.098 18 residues pruned to eliminate duplicates Z: 20 14.812 1.807 0.583 0.897 0.842 0.737 CB 1.010 20 residues pruned to eliminate duplicates Z: 19 18.052 1.853 0.277 0.929 1.000 0.833 CB 1.259 19 residues pruned to eliminate duplicates Z: 19 27.085 1.906 0.654 0.907 0.944 0.944 CB 1.524 19 residues pruned to eliminate duplicates 6 1.850 1.850 -0.046 0.840 1.000 0.800 CB 0.350 ? Z: 9 4.521 1.890 -0.179 0.841 1.000 0.750 CB 0.768 Z: 10 13.028 1.807 0.632 0.799 0.889 0.667 CB 1.275 10 residues pruned to eliminate duplicates Z: 10 7.138 1.720 0.326 0.841 1.000 0.889 CB 0.778 8 residues pruned to eliminate duplicates Z: 20 27.110 1.953 0.661 0.856 0.947 0.789 CB 1.492 20 residues pruned to eliminate duplicates Z: 19 26.487 1.928 0.810 0.917 0.944 0.889 CB 1.337 19 residues pruned to eliminate duplicates Z: 21 24.275 1.970 0.661 0.913 1.000 0.900 CB 1.174 21 residues pruned to eliminate duplicates Z: 19 22.769 1.994 0.994 0.917 1.000 0.778 CB 0.953 19 residues pruned to eliminate duplicates Z: 16 14.101 1.647 0.225 0.934 1.000 0.933 CB 1.259 15 residues pruned to eliminate duplicates Z: 14 21.461 1.877 0.698 0.883 1.000 0.846 CB 1.350 15 residues pruned to eliminate duplicates Z: 23 20.647 1.890 0.630 0.883 1.000 0.818 CB 1.033 23 residues pruned to eliminate duplicates Z: 24 33.000 2.039 0.817 0.915 1.000 0.870 CB 1.312 24 residues pruned to eliminate duplicates Z: 23 25.614 1.809 0.857 0.873 0.955 0.727 CB 1.241 23 residues pruned to eliminate duplicates Z: 19 26.231 1.962 0.877 0.905 0.944 0.722 CB 1.265 19 residues pruned to eliminate duplicates Z: 13 10.247 1.786 0.416 0.760 0.750 0.667 CB 1.238 13 residues pruned to eliminate duplicates Z: 19 17.764 1.727 0.715 0.852 0.944 0.722 CB 1.107 18 residues pruned to eliminate duplicates Z: 10 20.012 2.096 0.722 0.914 1.000 0.778 CB 1.307 11 residues pruned to eliminate duplicates Z: 7 4.867 1.937 0.215 0.811 1.000 0.833 CB 0.644 5 residues pruned to eliminate duplicates Z: 19 16.790 1.963 0.484 0.831 0.944 0.667 CB 1.081 19 residues pruned to eliminate duplicates Z: 17 23.964 1.939 0.784 0.917 1.000 0.938 CB 1.223 17 residues pruned to eliminate duplicates Z: 15 24.088 1.939 1.001 0.860 0.929 0.643 CB 1.314 15 residues pruned to eliminate duplicates Z: 18 14.179 1.653 0.643 0.812 1.000 0.588 CB 0.965 13 residues pruned to eliminate duplicates Z: 18 15.810 1.997 0.637 0.920 1.000 0.941 CB 0.826 18 residues pruned to eliminate duplicates Z: 12 12.999 1.628 0.352 0.864 1.000 0.818 CB 1.306 11 residues pruned to eliminate duplicates Z: 17 11.159 1.718 0.478 0.799 0.938 0.625 CB 0.902 17 residues pruned to eliminate duplicates Z: 25 23.746 1.936 0.574 0.915 0.958 0.917 CB 1.173 25 residues pruned to eliminate duplicates Z: 20 21.544 1.869 1.051 0.943 1.000 0.579 CB 0.894 17 residues pruned to eliminate duplicates Z: 18 16.885 1.914 0.246 0.864 1.000 0.824 CB 1.259 18 residues pruned to eliminate duplicates Z: 12 10.703 1.678 0.042 0.902 1.000 0.818 CB 1.316 12 residues pruned to eliminate duplicates Z: 20 25.756 1.947 0.681 0.877 0.895 0.737 CB 1.466 20 residues pruned to eliminate duplicates Z: 10 8.008 1.713 0.214 0.654 0.889 0.667 CB 1.252 10 residues pruned to eliminate duplicates Z: 17 28.843 1.965 0.967 0.899 1.000 0.688 CB 1.333 18 residues pruned to eliminate duplicates Z: 13 11.828 1.785 0.624 0.827 1.000 0.667 CB 0.888 13 residues pruned to eliminate duplicates Z: 18 13.268 1.878 0.694 0.887 0.941 0.882 CB 0.775 18 residues pruned to eliminate duplicates Z: 17 15.251 1.857 0.356 0.876 0.938 0.750 CB 1.173 17 residues pruned to eliminate duplicates Z: 20 24.788 1.977 0.621 0.869 1.000 0.947 CB 1.296 20 residues pruned to eliminate duplicates Z: 6 7.062 1.823 0.125 0.718 1.000 0.800 CB 1.264 6 residues pruned to eliminate duplicates Z: 19 27.225 1.971 0.636 0.918 1.000 0.944 CB 1.403 19 residues pruned to eliminate duplicates Z: 16 14.961 1.618 0.306 0.915 1.000 0.933 CB 1.292 16 residues pruned to eliminate duplicates Z: 18 14.166 2.010 0.305 0.935 1.000 0.941 CB 0.913 18 residues pruned to eliminate duplicates Z: 18 16.422 1.949 1.070 0.872 1.000 0.588 CB 0.719 18 residues pruned to eliminate duplicates Z: 19 26.533 1.773 0.742 0.886 1.000 0.778 CB 1.461 Z: 6 4.285 1.563 0.500 0.656 0.800 0.400 CB 0.884 Z: 19 16.890 1.875 0.923 0.924 1.000 0.778 CB 0.775 19 residues pruned to eliminate duplicates Z: 18 29.209 1.837 0.924 0.890 0.941 0.882 CB 1.532 19 residues pruned to eliminate duplicates Z: 21 27.874 1.937 0.850 0.899 0.900 0.750 CB 1.381 21 residues pruned to eliminate duplicates Z: 42 35.472 1.937 0.748 0.829 0.976 0.780 CB 1.262 45 residues pruned to eliminate duplicates Z: 22 27.013 1.937 0.733 0.889 0.952 0.857 CB 1.328 22 residues pruned to eliminate duplicates Z: 12 8.510 1.555 0.407 0.865 0.909 0.818 CB 0.945 Z: 16 15.223 1.641 0.364 0.913 0.933 0.867 CB 1.331 16 residues pruned to eliminate duplicates Z: 17 21.879 2.075 0.668 0.897 0.938 0.688 CB 1.207 17 residues pruned to eliminate duplicates Z: 6 6.952 1.915 0.252 0.815 0.800 0.800 CB 1.233 6 residues pruned to eliminate duplicates Z: 14 17.296 1.780 0.870 0.847 0.846 0.615 CB 1.265 14 residues pruned to eliminate duplicates Z: 17 20.587 1.945 0.551 0.883 1.000 0.625 CB 1.234 17 residues pruned to eliminate duplicates Z: 14 20.734 1.884 0.738 0.830 0.923 0.692 CB 1.431 14 residues pruned to eliminate duplicates Z: 15 25.798 1.948 0.533 0.915 1.000 1.000 CB 1.631 15 residues pruned to eliminate duplicates Z: 15 21.055 1.881 0.747 0.885 1.000 0.786 CB 1.237 15 residues pruned to eliminate duplicates Z: 17 18.658 1.804 0.568 0.900 1.000 0.812 CB 1.178 16 residues pruned to eliminate duplicates Z: 19 25.510 1.882 0.881 0.902 0.944 0.833 CB 1.282 18 residues pruned to eliminate duplicates Z: 22 23.849 1.890 0.693 0.883 1.000 0.857 CB 1.176 22 residues pruned to eliminate duplicates Z: 13 10.943 1.714 0.366 0.869 0.917 0.917 CB 1.075 Z: 18 19.639 1.966 0.496 0.876 0.941 0.765 CB 1.250 18 residues pruned to eliminate duplicates Z: 13 17.389 1.894 0.971 0.712 0.833 0.500 CB 1.331 12 residues pruned to eliminate duplicates Z: 22 26.747 1.911 0.711 0.920 1.000 0.857 CB 1.258 22 residues pruned to eliminate duplicates Z: 20 18.439 1.793 0.562 0.771 0.947 0.526 CB 1.254 20 residues pruned to eliminate duplicates Z: 17 13.770 1.612 0.513 0.902 1.000 0.938 CB 1.007 17 residues pruned to eliminate duplicates Z: 24 25.764 1.930 0.832 0.910 1.000 0.652 CB 1.077 24 residues pruned to eliminate duplicates Z: 19 21.997 1.884 0.540 0.871 1.000 0.833 CB 1.304 18 residues pruned to eliminate duplicates Z: 16 13.597 1.763 0.585 0.896 1.000 1.000 CB 0.900 16 residues pruned to eliminate duplicates 6 1.506 2.008 -0.039 0.782 1.000 0.800 CB 0.272 ? Z: 10 5.956 1.653 0.562 0.812 0.889 0.778 CB 0.659 Z: 10 5.300 1.551 0.842 0.620 0.778 0.556 CB 0.710 Z: 21 27.366 1.896 0.697 0.919 1.000 0.700 CB 1.340 21 residues pruned to eliminate duplicates Z: 9 8.167 1.679 0.832 0.858 1.000 0.625 CB 0.691 Z: 12 5.459 1.542 0.181 0.394 0.909 0.273 N 1.112 Z: 15 17.918 1.785 0.705 0.847 0.929 0.714 CB 1.258 15 residues pruned to eliminate duplicates Z: 15 16.590 1.747 0.619 0.851 1.000 0.643 CB 1.161 15 residues pruned to eliminate duplicates Z: 6 4.873 1.811 0.220 0.795 0.800 0.600 CB 0.952 6 residues pruned to eliminate duplicates Z: 18 14.302 1.908 0.125 0.923 1.000 1.000 CB 1.135 18 residues pruned to eliminate duplicates Z: 23 30.815 2.043 0.898 0.942 0.955 0.909 CB 1.231 23 residues pruned to eliminate duplicates Z: 8 10.096 1.672 0.411 0.573 1.000 0.571 O 1.508 8 residues pruned to eliminate duplicates Z: 21 22.261 1.897 0.938 0.801 0.850 0.700 CB 1.224 22 residues pruned to eliminate duplicates Z: 17 25.905 2.023 0.832 0.890 1.000 0.688 CB 1.257 17 residues pruned to eliminate duplicates Z: 13 13.122 1.896 0.408 0.873 0.833 0.833 CB 1.240 13 residues pruned to eliminate duplicates Z: 23 25.203 1.798 0.907 0.858 1.000 0.909 CB 1.154 23 residues pruned to eliminate duplicates Z: 12 14.033 1.675 0.409 0.886 1.000 0.818 CB 1.294 12 residues pruned to eliminate duplicates Z: 19 12.965 1.815 0.222 0.857 0.889 0.833 CB 1.142 19 residues pruned to eliminate duplicates Z: 12 10.311 1.568 0.523 0.827 0.909 0.727 CB 1.079 12 residues pruned to eliminate duplicates Z: 17 20.568 1.885 0.539 0.916 1.000 0.938 CB 1.252 19 residues pruned to eliminate duplicates Z: 18 14.110 1.490 0.922 0.842 0.882 0.588 CB 1.009 12 residues pruned to eliminate duplicates Z: 16 14.323 1.749 0.618 0.812 0.933 0.867 CB 1.067 16 residues pruned to eliminate duplicates Z: 16 21.416 1.735 0.777 0.896 0.933 0.667 CB 1.376 16 residues pruned to eliminate duplicates Z: 18 27.247 1.851 0.829 0.896 1.000 0.882 CB 1.398 17 residues pruned to eliminate duplicates Z: 18 13.556 1.715 0.517 0.832 0.941 0.765 CB 1.008 18 residues pruned to eliminate duplicates Z: 16 19.026 1.955 0.382 0.881 0.933 0.867 CB 1.411 17 residues pruned to eliminate duplicates Z: 15 17.104 1.851 0.585 0.874 1.000 0.786 CB 1.134 15 residues pruned to eliminate duplicates Z: 16 17.257 1.861 0.784 0.918 1.000 0.933 CB 0.946 16 residues pruned to eliminate duplicates Z: 15 18.391 1.890 1.147 0.939 0.929 0.786 CB 0.907 15 residues pruned to eliminate duplicates Z: 7 5.721 1.426 1.005 0.476 0.833 0.667 CB 1.004 6 residues pruned to eliminate duplicates Z: 17 23.341 1.943 0.574 0.890 1.000 0.750 CB 1.373 17 residues pruned to eliminate duplicates Z: 9 3.312 1.597 0.486 0.505 0.750 0.375 CB 0.655 Z: 16 17.686 1.877 0.369 0.858 1.000 0.800 CB 1.309 14 residues pruned to eliminate duplicates Z: 22 20.772 1.981 0.510 0.816 0.857 0.857 CB 1.344 22 residues pruned to eliminate duplicates Z: 23 19.896 1.815 0.445 0.906 1.000 0.818 CB 1.151 22 residues pruned to eliminate duplicates Z: 8 7.166 1.935 0.462 0.802 1.000 0.714 CB 0.735 9 residues pruned to eliminate duplicates Z: 7 3.386 1.526 0.400 0.618 0.833 0.833 CB 0.694 Z: 7 7.317 1.533 0.146 0.895 1.000 0.833 O 1.219 7 residues pruned to eliminate duplicates Z: 9 12.569 1.873 0.547 0.914 1.000 1.000 CB 1.085 8 residues pruned to eliminate duplicates Z: 16 19.228 1.740 0.839 0.831 1.000 0.867 CB 1.166 24 residues pruned to eliminate duplicates Z: 8 8.174 1.725 0.682 0.861 1.000 0.714 CB 0.782 8 residues pruned to eliminate duplicates Z: 19 24.944 2.028 0.549 0.932 1.000 0.944 CB 1.307 19 residues pruned to eliminate duplicates Z: 19 25.729 1.911 0.581 0.908 1.000 0.722 CB 1.425 19 residues pruned to eliminate duplicates Z: 19 14.684 1.843 0.926 0.897 1.000 0.389 CB 0.698 19 residues pruned to eliminate duplicates Z: 19 26.289 2.001 0.657 0.839 1.000 0.778 CB 1.395 19 residues pruned to eliminate duplicates Z: 23 29.579 2.057 0.752 0.952 1.000 1.000 CB 1.205 23 residues pruned to eliminate duplicates Z: 12 7.422 1.628 0.513 0.836 0.818 0.818 CB 0.831 12 residues pruned to eliminate duplicates Z: 22 17.346 1.777 0.547 0.721 0.905 0.714 CB 1.246 18 residues pruned to eliminate duplicates Z: 18 24.378 1.960 0.516 0.841 1.000 0.824 CB 1.483 18 residues pruned to eliminate duplicates Z: 22 22.850 1.888 0.460 0.928 1.000 0.905 CB 1.267 22 residues pruned to eliminate duplicates Z: 8 6.841 1.731 1.203 0.866 0.857 0.429 CB 0.579 8 residues pruned to eliminate duplicates Z: 19 22.012 1.908 0.635 0.854 0.944 0.611 CB 1.301 18 residues pruned to eliminate duplicates Z: 16 23.909 1.942 0.735 0.909 0.933 0.733 CB 1.394 16 residues pruned to eliminate duplicates Z: 6 3.224 1.906 0.364 0.875 1.000 0.800 CB 0.403 Z: 21 22.399 1.772 0.675 0.884 0.900 0.800 CB 1.354 21 residues pruned to eliminate duplicates Z: 14 11.197 1.752 0.454 0.882 1.000 0.692 CB 0.882 12 residues pruned to eliminate duplicates Z: 29 21.159 1.892 0.559 0.781 0.964 0.607 CB 1.097 29 residues pruned to eliminate duplicates Z: 20 26.762 1.963 0.887 0.919 0.947 0.737 CB 1.233 20 residues pruned to eliminate duplicates Z: 19 16.620 1.819 0.200 0.897 1.000 0.833 CB 1.285 19 residues pruned to eliminate duplicates Z: 16 11.657 1.681 0.552 0.798 0.933 0.533 CB 0.952 16 residues pruned to eliminate duplicates Z: 13 11.642 1.535 0.646 0.904 1.000 0.667 CB 0.947 13 residues pruned to eliminate duplicates Z: 8 6.743 1.700 1.011 0.867 0.857 0.571 CB 0.636 8 residues pruned to eliminate duplicates Z: 22 27.371 1.910 0.760 0.902 1.000 0.857 CB 1.267 22 residues pruned to eliminate duplicates Z: 6 3.152 1.908 0.346 0.355 1.000 0.600 CB 0.642 6 residues pruned to eliminate duplicates Z: 21 26.965 1.916 0.844 0.921 0.900 0.500 CB 1.334 21 residues pruned to eliminate duplicates 6 1.569 1.336 0.353 0.297 0.600 0.400 O 0.811 ? Z: 19 22.993 1.907 0.534 0.882 1.000 0.833 CB 1.341 19 residues pruned to eliminate duplicates Z: 16 22.698 1.894 0.690 0.917 1.000 1.000 CB 1.291 16 residues pruned to eliminate duplicates Z: 15 6.537 1.705 0.294 0.552 0.786 0.643 CB 0.958 15 residues pruned to eliminate duplicates Z: 15 18.294 1.731 0.870 0.898 0.929 0.786 CB 1.163 15 residues pruned to eliminate duplicates Z: 7 4.981 1.426 0.334 0.669 0.833 0.333 O 1.097 7 residues pruned to eliminate duplicates Z: 19 26.529 1.909 0.911 0.894 1.000 0.722 CB 1.230 20 residues pruned to eliminate duplicates Z: 18 20.123 1.824 0.737 0.879 0.941 0.765 CB 1.187 19 residues pruned to eliminate duplicates Z: 18 20.446 1.744 0.459 0.931 1.000 0.941 CB 1.361 18 residues pruned to eliminate duplicates Z: 13 14.867 1.817 0.487 0.877 0.917 0.833 CB 1.258 13 residues pruned to eliminate duplicates Z: 18 15.157 1.885 0.669 0.864 1.000 0.765 CB 0.856 18 residues pruned to eliminate duplicates Z: 19 18.684 1.917 0.720 0.878 1.000 0.500 CB 0.969 19 residues pruned to eliminate duplicates Z: 18 15.178 1.744 0.757 0.739 0.706 0.412 CB 1.373 18 residues pruned to eliminate duplicates Z: 20 15.702 1.668 0.388 0.852 1.000 0.842 CB 1.151 20 residues pruned to eliminate duplicates Z: 19 9.738 1.540 0.852 0.781 0.833 0.444 CB 0.754 15 residues pruned to eliminate duplicates Z: 18 13.396 1.487 0.562 0.877 0.941 0.765 CB 1.079 18 residues pruned to eliminate duplicates Z: 15 20.465 1.832 0.657 0.872 0.929 0.643 CB 1.414 15 residues pruned to eliminate duplicates Z: 19 15.227 1.815 0.914 0.926 0.944 0.889 CB 0.767 19 residues pruned to eliminate duplicates Z: 14 20.968 1.866 0.600 0.878 1.000 1.000 CB 1.413 14 residues pruned to eliminate duplicates Z: 21 28.971 1.967 0.953 0.907 0.900 0.800 CB 1.332 21 residues pruned to eliminate duplicates Z: 6 3.456 1.419 0.306 0.413 1.000 0.600 CB 0.914 Z: 15 15.516 1.776 0.694 0.898 0.929 0.714 CB 1.062 15 residues pruned to eliminate duplicates Z: 19 18.541 1.846 0.648 0.944 0.944 0.944 CB 1.054 18 residues pruned to eliminate duplicates Z: 19 18.051 1.780 0.369 0.896 0.944 0.833 CB 1.325 19 residues pruned to eliminate duplicates Z: 11 10.056 1.895 0.019 0.884 1.000 0.700 CB 1.190 11 residues pruned to eliminate duplicates Z: 16 19.424 1.975 0.280 0.885 1.000 0.933 CB 1.432 20 residues pruned to eliminate duplicates Z: 17 18.123 1.748 0.906 0.902 0.938 0.438 CB 1.035 15 residues pruned to eliminate duplicates Z: 8 11.290 1.801 0.731 0.825 1.000 0.714 CB 1.033 Z: 17 17.967 1.956 0.310 0.714 0.938 0.500 CB 1.541 17 residues pruned to eliminate duplicates 7 1.851 1.286 0.401 0.317 0.833 0.500 N 0.616 ? Z: 6 5.119 1.616 0.142 0.836 1.000 1.000 CB 0.928 6 residues pruned to eliminate duplicates Z: 10 11.620 2.050 0.692 0.803 0.778 0.667 CB 1.102 10 residues pruned to eliminate duplicates Z: 21 20.014 1.966 0.819 0.658 0.900 0.750 CB 1.201 21 residues pruned to eliminate duplicates Z: 18 20.688 1.915 0.353 0.939 1.000 0.941 CB 1.346 18 residues pruned to eliminate duplicates Z: 18 21.368 1.759 0.580 0.921 1.000 0.941 CB 1.312 18 residues pruned to eliminate duplicates Z: 20 24.812 1.827 0.570 0.854 1.000 0.895 CB 1.466 19 residues pruned to eliminate duplicates Z: 9 6.788 1.764 0.417 0.880 0.875 0.625 CB 0.796 9 residues pruned to eliminate duplicates Z: 17 21.465 1.862 0.652 0.866 1.000 0.750 CB 1.277 16 residues pruned to eliminate duplicates Z: 28 23.586 1.868 0.908 0.697 0.889 0.519 CB 1.197 28 residues pruned to eliminate duplicates Z: 6 4.013 1.628 -0.131 0.662 0.800 0.400 N 1.365 Z: 19 16.416 2.014 0.297 0.927 1.000 0.833 CB 1.037 19 residues pruned to eliminate duplicates Z: 25 23.989 1.851 0.774 0.913 0.958 0.500 CB 1.101 25 residues pruned to eliminate duplicates Z: 17 17.245 1.796 0.856 0.875 0.938 0.812 CB 1.003 17 residues pruned to eliminate duplicates Z: 6 3.697 1.596 0.501 0.385 0.800 0.600 N 0.975 6 1.776 1.549 0.301 0.161 0.600 0.400 CB 0.993 ? Z: 21 17.212 1.872 0.405 0.936 1.000 0.900 CB 1.019 21 residues pruned to eliminate duplicates Z: 14 11.662 1.724 0.196 0.869 1.000 0.769 CB 1.146 13 residues pruned to eliminate duplicates Z: 17 24.692 1.952 0.697 0.873 0.938 0.750 CB 1.448 17 residues pruned to eliminate duplicates Z: 18 19.879 1.693 0.838 0.904 1.000 0.765 CB 1.103 18 residues pruned to eliminate duplicates Z: 22 26.737 1.937 0.536 0.902 1.000 0.952 CB 1.399 22 residues pruned to eliminate duplicates Z: 20 19.595 1.833 1.107 0.919 1.000 0.789 CB 0.820 19 residues pruned to eliminate duplicates Z: 19 17.787 1.733 0.754 0.846 0.889 0.333 CB 1.153 19 residues pruned to eliminate duplicates Z: 9 6.818 1.706 0.771 0.878 0.875 0.500 CB 0.661 9 residues pruned to eliminate duplicates Z: 10 10.529 1.795 0.823 0.910 1.000 0.778 CB 0.761 10 residues pruned to eliminate duplicates Z: 10 3.554 1.480 0.616 0.261 0.778 0.222 CB 0.837 Z: 20 17.142 1.907 0.891 0.896 0.842 0.579 CB 0.928 20 residues pruned to eliminate duplicates Z: 15 17.112 1.594 0.677 0.884 0.929 0.786 CB 1.331 17 residues pruned to eliminate duplicates Z: 14 13.430 1.685 0.413 0.838 1.000 0.615 CB 1.169 14 residues pruned to eliminate duplicates Z: 6 2.840 1.431 0.171 0.405 0.800 0.600 N 1.047 Z: 8 3.767 1.479 0.018 0.542 0.857 0.429 N 1.059 Z: 18 27.636 2.025 0.962 0.945 1.000 0.824 CB 1.167 18 residues pruned to eliminate duplicates Z: 15 10.704 1.754 0.521 0.779 0.714 0.357 CB 1.174 15 residues pruned to eliminate duplicates Z: 12 5.328 1.621 0.170 0.429 0.727 0.636 N 1.254 12 residues pruned to eliminate duplicates Z: 20 22.600 1.804 0.710 0.921 0.947 0.737 CB 1.249 20 residues pruned to eliminate duplicates Z: 17 21.414 1.860 1.011 0.838 0.875 0.500 CB 1.223 17 residues pruned to eliminate duplicates Z: 6 5.901 1.521 0.756 0.691 0.800 0.600 CB 1.038 6 residues pruned to eliminate duplicates Z: 16 14.543 1.783 0.548 0.790 0.933 0.667 CB 1.130 16 residues pruned to eliminate duplicates Z: 18 35.933 2.113 0.979 0.912 1.000 0.706 CB 1.477 18 residues pruned to eliminate duplicates 6 0.637 1.481 -0.001 0.280 0.600 0.600 CB 0.411 ? Z: 6 5.364 1.790 0.379 0.451 0.800 0.600 O 1.276 6 residues pruned to eliminate duplicates Z: 8 3.822 1.317 1.053 0.379 0.571 0.143 O 1.063 Z: 18 13.079 1.760 0.418 0.859 1.000 0.824 CB 0.935 18 residues pruned to eliminate duplicates Z: 7 3.322 1.504 -0.013 0.496 1.000 0.833 CB 0.917 Z: 23 19.963 1.947 0.515 0.897 1.000 0.818 CB 1.032 23 residues pruned to eliminate duplicates Z: 28 14.142 1.676 0.529 0.551 0.815 0.704 CB 1.241 29 residues pruned to eliminate duplicates Z: 19 19.142 1.789 0.670 0.872 0.944 0.889 CB 1.165 18 residues pruned to eliminate duplicates Z: 21 12.592 1.819 0.236 0.902 1.000 0.850 CB 0.893 21 residues pruned to eliminate duplicates Z: 6 3.101 1.042 0.640 0.507 1.000 0.400 N 0.806 Z: 21 22.627 1.872 0.734 0.875 0.950 0.600 CB 1.193 21 residues pruned to eliminate duplicates Z: 18 17.084 1.876 0.502 0.906 1.000 0.882 CB 1.046 18 residues pruned to eliminate duplicates Z: 12 4.321 1.637 0.875 0.782 0.818 0.818 CB 0.405 12 residues pruned to eliminate duplicates Z: 6 4.463 1.213 0.532 0.810 1.000 0.600 O 0.820 Z: 19 22.658 1.955 0.609 0.875 0.944 0.944 CB 1.307 19 residues pruned to eliminate duplicates Z: 36 26.275 1.980 0.525 0.665 0.943 0.657 CB 1.339 31 residues pruned to eliminate duplicates Z: 6 2.410 1.525 0.044 0.299 0.800 0.600 CB 1.058 Z: 16 14.968 1.727 0.698 0.869 1.000 0.667 CB 0.962 16 residues pruned to eliminate duplicates Z: 6 4.166 1.525 0.515 0.465 0.800 0.600 C 1.044 Z: 21 16.799 1.803 0.393 0.798 0.900 0.850 CB 1.281 17 residues pruned to eliminate duplicates Z: 9 3.342 1.571 0.434 0.226 0.625 0.375 CB 1.155 Z: 18 21.876 1.841 0.625 0.870 1.000 0.647 CB 1.294 18 residues pruned to eliminate duplicates Z: 20 18.300 1.828 0.572 0.907 0.895 0.684 CB 1.161 20 residues pruned to eliminate duplicates Z: 18 30.912 2.058 0.676 0.921 1.000 0.824 CB 1.530 18 residues pruned to eliminate duplicates Z: 20 27.611 1.855 0.754 0.856 0.947 0.737 CB 1.516 20 residues pruned to eliminate duplicates Z: 17 15.590 1.768 0.495 0.882 0.875 0.312 CB 1.220 17 residues pruned to eliminate duplicates Z: 20 19.012 1.833 0.773 0.890 0.895 0.842 CB 1.079 20 residues pruned to eliminate duplicates Z: 13 11.837 1.872 0.596 0.647 0.917 0.750 CB 1.088 12 residues pruned to eliminate duplicates Z: 21 26.594 1.884 1.096 0.873 0.900 0.650 CB 1.219 21 residues pruned to eliminate duplicates 6 1.889 1.280 0.219 0.398 0.800 0.600 CB 0.754 ? Z: 17 17.515 1.651 0.576 0.833 0.938 0.812 CB 1.347 17 residues pruned to eliminate duplicates Z: 25 15.730 1.859 0.527 0.684 0.958 0.583 CB 0.997 25 residues pruned to eliminate duplicates Z: 6 6.646 1.923 0.875 0.850 1.000 0.600 CB 0.611 6 residues pruned to eliminate duplicates Z: 20 17.596 1.861 0.770 0.943 1.000 0.842 CB 0.849 20 residues pruned to eliminate duplicates Z: 7 3.354 1.694 0.279 0.592 1.000 0.667 CB 0.579 Z: 7 7.119 1.829 0.754 0.886 1.000 1.000 CB 0.653 7 residues pruned to eliminate duplicates Z: 6 3.523 1.453 0.173 0.743 1.000 0.800 N 0.743 Z: 18 27.944 2.006 0.705 0.898 1.000 0.882 CB 1.418 18 residues pruned to eliminate duplicates Z: 16 20.303 1.975 0.570 0.895 1.000 0.933 CB 1.211 16 residues pruned to eliminate duplicates Z: 16 18.286 1.806 0.646 0.913 0.933 0.933 CB 1.204 17 residues pruned to eliminate duplicates Z: 8 3.639 1.754 0.455 0.764 0.857 0.571 CB 0.497 6 1.655 1.647 -0.034 0.295 0.800 0.600 CB 0.732 ? Z: 11 12.241 1.946 0.925 0.911 1.000 0.900 CB 0.732 11 residues pruned to eliminate duplicates Z: 14 8.040 1.642 0.722 0.558 0.769 0.769 CB 0.969 14 residues pruned to eliminate duplicates Z: 19 26.991 1.905 0.873 0.904 0.944 0.944 CB 1.345 19 residues pruned to eliminate duplicates Z: 15 12.829 1.705 0.517 0.829 0.929 0.643 CB 1.075 14 residues pruned to eliminate duplicates Z: 18 11.900 1.775 0.743 0.570 0.765 0.588 CB 1.140 18 residues pruned to eliminate duplicates Z: 24 19.267 1.886 0.548 0.724 0.870 0.652 CB 1.293 24 residues pruned to eliminate duplicates 6 1.967 1.402 0.374 0.822 1.000 0.800 CB 0.345 ? Z: 19 24.411 1.941 0.727 0.886 1.000 0.833 CB 1.238 19 residues pruned to eliminate duplicates Z: 20 18.700 1.921 0.656 0.700 0.789 0.526 CB 1.424 20 residues pruned to eliminate duplicates Z: 8 8.786 1.802 0.557 0.886 1.000 1.000 CB 0.854 8 residues pruned to eliminate duplicates Z: 10 6.022 1.726 0.348 0.875 0.889 0.889 CB 0.705 7 residues pruned to eliminate duplicates Z: 16 18.121 1.921 0.493 0.734 0.867 0.667 CB 1.525 16 residues pruned to eliminate duplicates Z: 24 17.903 1.796 0.709 0.655 0.957 0.435 CB 1.101 24 residues pruned to eliminate duplicates Z: 11 2.683 1.419 0.579 0.260 0.600 0.500 CB 0.830 Z: 23 25.678 1.862 0.794 0.877 0.909 0.818 CB 1.310 23 residues pruned to eliminate duplicates Z: 19 22.276 1.915 0.542 0.854 0.944 0.889 CB 1.390 19 residues pruned to eliminate duplicates Z: 21 28.282 1.966 0.786 0.893 0.950 0.650 CB 1.362 21 residues pruned to eliminate duplicates Z: 8 4.702 1.530 0.205 0.462 0.857 0.429 N 1.168 Z: 10 7.304 1.767 0.177 0.875 1.000 0.889 CB 0.851 10 residues pruned to eliminate duplicates Z: 9 3.551 1.473 0.249 0.379 0.750 0.625 CB 1.035 8 residues pruned to eliminate duplicates Z: 17 24.371 1.891 0.492 0.897 1.000 0.812 CB 1.545 18 residues pruned to eliminate duplicates 6 1.658 1.478 0.229 0.448 0.600 0.400 CB 0.717 ? Z: 14 14.839 1.696 0.729 0.928 1.000 1.000 CB 0.983 13 residues pruned to eliminate duplicates Z: 11 3.028 1.615 0.413 0.200 0.800 0.300 CB 0.749 Z: 9 9.738 1.776 0.547 0.570 1.000 0.500 CB 1.171 Z: 14 18.432 1.884 0.390 0.936 1.000 1.000 CB 1.360 14 residues pruned to eliminate duplicates Z: 17 14.428 1.802 0.414 0.877 1.000 0.812 CB 1.028 17 residues pruned to eliminate duplicates Z: 12 15.749 1.645 0.560 0.917 1.000 0.818 CB 1.306 12 residues pruned to eliminate duplicates Z: 22 21.340 1.880 0.607 0.893 0.905 0.810 CB 1.223 22 residues pruned to eliminate duplicates Z: 20 13.138 1.714 0.547 0.795 0.842 0.632 CB 1.042 19 residues pruned to eliminate duplicates Z: 23 22.460 1.836 0.517 0.918 1.000 0.773 CB 1.212 23 residues pruned to eliminate duplicates Z: 10 2.364 1.428 0.534 0.261 0.667 0.333 CB 0.709 Z: 13 9.000 1.641 0.647 0.754 0.917 0.500 CB 0.836 13 residues pruned to eliminate duplicates Z: 38 29.118 1.911 0.814 0.695 0.892 0.459 CB 1.295 38 residues pruned to eliminate duplicates Z: 20 17.542 1.716 0.799 0.745 0.842 0.474 CB 1.243 15 residues pruned to eliminate duplicates Z: 15 19.506 1.846 0.566 0.889 1.000 0.786 CB 1.299 15 residues pruned to eliminate duplicates Z: 22 28.700 1.916 0.827 0.929 0.952 0.571 CB 1.315 22 residues pruned to eliminate duplicates Z: 13 10.505 1.786 0.568 0.751 0.917 0.750 CB 0.945 13 residues pruned to eliminate duplicates Z: 10 7.469 1.883 0.121 0.738 0.778 0.667 CB 1.224 10 residues pruned to eliminate duplicates Z: 18 20.697 1.839 0.728 0.865 0.941 0.824 CB 1.229 18 residues pruned to eliminate duplicates Z: 7 2.419 1.341 0.295 0.382 0.667 0.500 CB 0.968 Using tripeptides from previous cycle as seeds Z: 16 11.907 1.787 0.374 0.834 0.933 0.733 CB 1.006 15 residues pruned to eliminate duplicates Z: 15 11.327 1.788 0.355 0.778 0.929 0.643 CB 1.053 15 residues pruned to eliminate duplicates Z: 15 11.104 1.852 0.490 0.627 0.857 0.786 CB 1.113 19 residues pruned to eliminate duplicates Z: 17 14.361 1.658 0.337 0.862 0.938 0.812 CB 1.269 21 residues pruned to eliminate duplicates Z: 16 15.186 1.727 0.539 0.899 1.000 0.933 CB 1.054 14 residues pruned to eliminate duplicates Z: 17 14.398 1.768 0.341 0.888 0.938 0.812 CB 1.167 17 residues pruned to eliminate duplicates Z: 15 16.684 1.777 0.523 0.902 1.000 0.857 CB 1.175 16 residues pruned to eliminate duplicates Z: 15 15.629 1.779 0.457 0.921 1.000 1.000 CB 1.134 15 residues pruned to eliminate duplicates Z: 36 16.842 1.747 0.404 0.701 0.829 0.714 CB 1.166 34 residues pruned to eliminate duplicates Z: 13 14.146 1.768 0.385 0.872 1.000 0.833 CB 1.216 13 residues pruned to eliminate duplicates Z: 15 16.298 1.733 0.441 0.899 1.000 0.786 CB 1.247 15 residues pruned to eliminate duplicates Z: 15 17.462 1.790 0.554 0.901 1.000 0.857 CB 1.198 15 residues pruned to eliminate duplicates Z: 16 17.132 1.756 0.512 0.919 1.000 0.800 CB 1.174 15 residues pruned to eliminate duplicates Z: 15 19.191 1.774 0.676 0.906 1.000 0.857 CB 1.227 15 residues pruned to eliminate duplicates Z: 16 16.730 1.777 0.695 0.842 0.933 0.733 CB 1.145 16 residues pruned to eliminate duplicates Z: 15 16.219 1.775 0.405 0.904 1.000 0.929 CB 1.238 15 residues pruned to eliminate duplicates Z: 31 16.912 1.824 0.634 0.617 0.767 0.467 CB 1.210 26 residues pruned to eliminate duplicates Z: 17 24.092 1.857 0.864 0.839 1.000 0.562 CB 1.300 17 residues pruned to eliminate duplicates Z: 12 8.986 1.780 0.627 0.586 0.727 0.455 CB 1.184 12 residues pruned to eliminate duplicates Z: 10 16.637 1.867 0.784 0.762 1.000 0.889 CB 1.319 10 residues pruned to eliminate duplicates Z: 14 19.915 1.858 0.630 0.851 1.000 0.769 CB 1.350 14 residues pruned to eliminate duplicates Z: 13 22.040 1.901 0.637 0.930 1.000 0.917 CB 1.430 13 residues pruned to eliminate duplicates Z: 16 25.193 1.890 0.797 0.864 1.000 0.733 CB 1.405 16 residues pruned to eliminate duplicates Z: 16 24.237 1.904 0.684 0.924 1.000 1.000 CB 1.370 16 residues pruned to eliminate duplicates Z: 13 21.009 1.864 0.706 0.907 1.000 0.917 CB 1.355 13 residues pruned to eliminate duplicates Z: 14 17.121 1.764 0.764 0.688 0.923 0.846 CB 1.392 14 residues pruned to eliminate duplicates Z: 16 23.293 1.859 0.664 0.862 1.000 0.867 CB 1.428 16 residues pruned to eliminate duplicates Z: 33 18.789 1.843 0.516 0.638 0.812 0.594 CB 1.285 33 residues pruned to eliminate duplicates Z: 11 13.614 1.679 0.689 0.846 0.900 0.500 CB 1.253 11 residues pruned to eliminate duplicates Z: 9 12.898 1.826 0.624 0.818 1.000 0.875 CB 1.166 9 residues pruned to eliminate duplicates Z: 16 14.170 1.887 0.651 0.755 0.800 0.800 CB 1.169 16 residues pruned to eliminate duplicates Z: 18 20.790 1.892 0.567 0.849 1.000 0.824 CB 1.260 19 residues pruned to eliminate duplicates Z: 20 20.416 1.792 0.659 0.910 0.947 0.842 CB 1.180 20 residues pruned to eliminate duplicates Z: 16 25.291 1.934 0.711 0.914 1.000 0.933 CB 1.395 17 residues pruned to eliminate duplicates Z: 17 23.937 1.917 0.771 0.918 1.000 0.812 CB 1.243 17 residues pruned to eliminate duplicates Z: 23 20.891 1.797 0.684 0.723 0.955 0.545 CB 1.261 19 residues pruned to eliminate duplicates Z: 18 23.525 1.903 0.615 0.913 1.000 0.824 CB 1.313 22 residues pruned to eliminate duplicates Z: 18 23.124 1.865 0.918 0.897 1.000 0.588 CB 1.122 18 residues pruned to eliminate duplicates Z: 14 17.586 1.948 0.822 0.750 0.846 0.538 CB 1.300 14 residues pruned to eliminate duplicates Z: 22 21.634 1.824 0.896 0.808 0.952 0.571 CB 1.096 22 residues pruned to eliminate duplicates Z: 20 19.367 1.857 0.667 0.799 0.895 0.579 CB 1.234 20 residues pruned to eliminate duplicates Z: 20 21.042 1.843 0.814 0.822 0.947 0.684 CB 1.153 20 residues pruned to eliminate duplicates Z: 11 18.895 1.839 0.892 0.794 1.000 0.500 CB 1.327 11 residues pruned to eliminate duplicates Z: 17 22.027 1.918 0.723 0.877 1.000 0.750 CB 1.210 17 residues pruned to eliminate duplicates Z: 18 20.642 1.863 0.757 0.863 0.941 0.765 CB 1.192 18 residues pruned to eliminate duplicates Z: 18 26.169 1.885 0.809 0.899 1.000 0.882 CB 1.330 18 residues pruned to eliminate duplicates Z: 20 19.766 1.851 0.633 0.871 0.947 0.684 CB 1.155 20 residues pruned to eliminate duplicates Z: 10 6.589 1.525 0.346 0.741 0.889 0.778 CB 0.970 10 residues pruned to eliminate duplicates Z: 9 8.318 1.720 0.225 0.591 1.000 0.875 CB 1.279 9 residues pruned to eliminate duplicates Z: 13 9.389 1.582 0.267 0.877 0.917 0.833 CB 1.072 13 residues pruned to eliminate duplicates Z: 11 9.842 1.671 0.275 0.707 0.900 0.700 N 1.345 11 residues pruned to eliminate duplicates Z: 13 12.461 1.760 0.100 0.908 1.000 0.917 CB 1.320 13 residues pruned to eliminate duplicates Z: 13 12.532 1.713 0.270 0.825 1.000 0.833 CB 1.255 13 residues pruned to eliminate duplicates Z: 14 11.594 1.700 0.100 0.874 1.000 0.846 CB 1.251 14 residues pruned to eliminate duplicates Z: 18 9.243 1.645 0.244 0.550 0.824 0.471 CB 1.267 18 residues pruned to eliminate duplicates Z: 16 11.683 1.650 0.561 0.764 0.867 0.600 CB 1.069 15 residues pruned to eliminate duplicates Z: 16 14.289 1.657 0.477 0.854 1.000 0.733 CB 1.114 16 residues pruned to eliminate duplicates Z: 15 15.922 1.679 0.513 0.870 1.000 0.714 CB 1.223 17 residues pruned to eliminate duplicates Z: 17 15.656 1.631 0.475 0.872 0.938 0.688 CB 1.264 17 residues pruned to eliminate duplicates Z: 15 13.922 1.704 0.537 0.792 1.000 0.714 CB 1.100 15 residues pruned to eliminate duplicates Z: 14 13.656 1.645 0.573 0.757 1.000 0.769 CB 1.165 14 residues pruned to eliminate duplicates Z: 17 15.978 1.637 0.676 0.851 1.000 0.562 CB 1.077 15 residues pruned to eliminate duplicates Z: 23 18.897 1.847 0.439 0.871 0.955 0.864 CB 1.159 23 residues pruned to eliminate duplicates Z: 22 18.387 1.928 0.449 0.745 0.905 0.714 CB 1.275 22 residues pruned to eliminate duplicates Z: 23 23.972 1.857 0.606 0.883 0.955 0.818 CB 1.298 23 residues pruned to eliminate duplicates Z: 23 23.846 1.941 0.682 0.850 0.955 0.727 CB 1.209 23 residues pruned to eliminate duplicates Z: 26 24.325 1.934 0.540 0.742 0.960 0.640 CB 1.371 26 residues pruned to eliminate duplicates Z: 26 20.802 1.970 0.563 0.687 0.880 0.560 CB 1.293 26 residues pruned to eliminate duplicates Z: 29 21.791 1.952 0.469 0.767 0.857 0.679 CB 1.323 29 residues pruned to eliminate duplicates Z: 21 25.720 2.021 0.612 0.858 0.950 0.750 CB 1.368 21 residues pruned to eliminate duplicates Z: 28 20.299 1.933 0.560 0.732 0.889 0.667 CB 1.183 28 residues pruned to eliminate duplicates Z: 23 24.796 1.983 0.711 0.788 0.864 0.682 CB 1.401 23 residues pruned to eliminate duplicates Z: 31 29.012 1.999 0.905 0.756 0.900 0.600 CB 1.230 32 residues pruned to eliminate duplicates Z: 19 31.345 1.955 0.912 0.896 0.944 0.778 CB 1.499 19 residues pruned to eliminate duplicates Z: 26 24.786 1.877 0.822 0.784 0.880 0.520 CB 1.283 26 residues pruned to eliminate duplicates Z: 22 24.759 2.033 0.753 0.830 0.857 0.619 CB 1.329 22 residues pruned to eliminate duplicates Z: 26 23.501 1.931 0.760 0.733 0.840 0.560 CB 1.335 26 residues pruned to eliminate duplicates Z: 28 26.693 1.987 0.753 0.786 0.852 0.741 CB 1.347 28 residues pruned to eliminate duplicates Z: 30 20.140 1.894 0.630 0.637 0.793 0.586 CB 1.343 30 residues pruned to eliminate duplicates Z: 40 27.819 1.877 0.625 0.752 0.872 0.667 CB 1.338 40 residues pruned to eliminate duplicates Z: 33 21.054 1.912 0.669 0.646 0.875 0.594 CB 1.163 33 residues pruned to eliminate duplicates Z: 42 32.418 1.936 0.603 0.813 0.951 0.659 CB 1.307 42 residues pruned to eliminate duplicates Z: 38 35.401 1.976 0.787 0.805 0.973 0.730 CB 1.298 38 residues pruned to eliminate duplicates Z: 33 24.569 1.939 0.623 0.693 0.906 0.500 CB 1.277 33 residues pruned to eliminate duplicates Z: 29 26.232 1.967 0.825 0.743 0.857 0.607 CB 1.296 29 residues pruned to eliminate duplicates Z: 15 23.719 2.024 0.612 0.815 1.000 0.643 CB 1.478 15 residues pruned to eliminate duplicates Z: 35 34.343 2.024 0.738 0.841 0.941 0.824 CB 1.327 35 residues pruned to eliminate duplicates Z: 24 18.156 1.865 0.422 0.728 0.913 0.696 CB 1.274 24 residues pruned to eliminate duplicates Z: 42 34.472 1.950 0.668 0.815 0.927 0.732 CB 1.358 42 residues pruned to eliminate duplicates Z: 35 32.942 1.898 1.001 0.798 0.882 0.529 CB 1.299 35 residues pruned to eliminate duplicates Z: 35 31.076 1.995 0.691 0.793 0.941 0.706 CB 1.298 35 residues pruned to eliminate duplicates Z: 44 34.327 1.939 0.652 0.794 0.930 0.698 CB 1.358 44 residues pruned to eliminate duplicates Z: 28 22.436 1.811 0.770 0.684 0.926 0.667 CB 1.228 28 residues pruned to eliminate duplicates Z: 40 34.794 1.932 0.805 0.803 0.872 0.667 CB 1.406 40 residues pruned to eliminate duplicates Z: 42 34.503 1.967 0.752 0.821 0.878 0.756 CB 1.348 42 residues pruned to eliminate duplicates Z: 43 37.062 1.953 0.753 0.832 0.905 0.738 CB 1.386 43 residues pruned to eliminate duplicates Z: 48 33.576 1.950 0.637 0.756 0.936 0.681 CB 1.304 44 residues pruned to eliminate duplicates Z: 19 24.145 1.906 0.717 0.922 0.944 0.722 CB 1.295 19 residues pruned to eliminate duplicates Z: 38 30.239 1.932 0.669 0.765 0.865 0.757 CB 1.410 38 residues pruned to eliminate duplicates Z: 42 38.463 1.950 0.790 0.815 0.951 0.707 CB 1.376 42 residues pruned to eliminate duplicates Z: 42 36.516 1.947 0.774 0.801 0.951 0.756 CB 1.335 42 residues pruned to eliminate duplicates Z: 22 27.788 1.894 0.839 0.765 0.952 0.571 CB 1.445 22 residues pruned to eliminate duplicates Z: 9 7.091 1.653 0.404 0.334 1.000 0.375 CB 1.295 8 residues pruned to eliminate duplicates Z: 7 12.170 1.875 1.118 0.856 1.000 0.833 CB 0.922 7 residues pruned to eliminate duplicates Z: 12 12.626 1.746 0.735 0.626 0.909 0.364 CB 1.228 11 residues pruned to eliminate duplicates Z: 15 19.940 1.914 0.947 0.918 1.000 1.000 CB 1.008 15 residues pruned to eliminate duplicates Z: 11 12.970 1.815 1.221 0.929 0.900 0.700 CB 0.791 11 residues pruned to eliminate duplicates Z: 23 18.565 1.818 0.763 0.738 0.955 0.545 CB 1.045 22 residues pruned to eliminate duplicates Z: 19 17.678 1.861 0.809 0.930 1.000 1.000 CB 0.865 19 residues pruned to eliminate duplicates Z: 26 14.573 1.783 0.771 0.706 0.960 0.680 CB 0.797 26 residues pruned to eliminate duplicates Z: 13 14.730 1.885 0.960 0.823 0.917 0.750 CB 0.949 15 residues pruned to eliminate duplicates Z: 18 21.401 1.880 1.063 0.929 1.000 0.882 CB 0.936 17 residues pruned to eliminate duplicates Z: 18 21.008 1.926 1.086 0.933 1.000 0.882 CB 0.885 18 residues pruned to eliminate duplicates Z: 16 18.088 1.940 1.081 0.902 0.933 0.867 CB 0.884 16 residues pruned to eliminate duplicates Z: 19 13.460 1.865 0.893 0.844 0.889 0.667 CB 0.752 19 residues pruned to eliminate duplicates Z: 21 21.420 1.891 1.024 0.791 1.000 0.750 CB 0.969 22 residues pruned to eliminate duplicates Z: 19 17.589 1.817 1.061 0.910 0.944 0.611 CB 0.831 18 residues pruned to eliminate duplicates Z: 17 18.663 1.824 1.274 0.925 0.938 0.500 CB 0.842 17 residues pruned to eliminate duplicates Z: 25 14.501 1.850 0.762 0.665 0.792 0.458 CB 0.984 25 residues pruned to eliminate duplicates Z: 29 18.338 1.824 0.720 0.666 0.893 0.464 CB 1.061 29 residues pruned to eliminate duplicates Z: 54 26.705 1.860 0.585 0.745 0.943 0.698 CB 1.059 62 residues pruned to eliminate duplicates Z: 12 10.905 1.878 0.688 0.817 0.909 0.909 CB 0.866 12 residues pruned to eliminate duplicates Z: 13 13.092 1.906 0.596 0.603 0.917 0.583 CB 1.229 13 residues pruned to eliminate duplicates Z: 13 8.876 1.817 0.445 0.521 0.833 0.500 CB 1.147 13 residues pruned to eliminate duplicates Z: 24 15.422 1.761 0.702 0.568 0.870 0.609 CB 1.155 24 residues pruned to eliminate duplicates Z: 16 12.196 1.706 0.782 0.508 0.800 0.400 CB 1.285 16 residues pruned to eliminate duplicates Z: 11 16.793 1.911 0.962 0.872 1.000 0.800 CB 1.033 11 residues pruned to eliminate duplicates Z: 14 9.613 1.828 0.526 0.579 0.846 0.538 CB 1.047 14 residues pruned to eliminate duplicates Z: 9 5.892 1.761 0.479 0.423 0.750 0.375 CB 1.156 9 residues pruned to eliminate duplicates Z: 14 10.699 1.861 0.508 0.640 0.769 0.538 CB 1.206 14 residues pruned to eliminate duplicates Z: 29 19.996 1.807 0.774 0.758 0.821 0.643 CB 1.141 29 residues pruned to eliminate duplicates Z: 15 12.279 1.782 0.631 0.607 0.929 0.357 CB 1.098 15 residues pruned to eliminate duplicates Z: 15 9.693 1.823 0.300 0.650 0.857 0.429 CB 1.108 15 residues pruned to eliminate duplicates Z: 16 14.483 1.752 0.415 0.766 1.000 0.867 CB 1.192 16 residues pruned to eliminate duplicates Z: 21 11.961 1.645 0.444 0.642 0.850 0.650 CB 1.160 21 residues pruned to eliminate duplicates Z: 21 11.826 1.682 0.525 0.603 0.850 0.400 CB 1.100 21 residues pruned to eliminate duplicates Z: 20 16.058 1.776 0.693 0.795 0.895 0.421 CB 1.057 20 residues pruned to eliminate duplicates Z: 15 5.458 1.709 0.211 0.384 0.857 0.357 CB 0.930 15 residues pruned to eliminate duplicates Z: 33 22.618 1.835 0.733 0.708 0.938 0.531 CB 1.110 33 residues pruned to eliminate duplicates Z: 33 14.231 1.765 0.501 0.547 0.844 0.438 CB 1.075 33 residues pruned to eliminate duplicates Z: 6 2.249 1.801 -0.029 0.209 0.800 0.200 CB 1.014 6 residues pruned to eliminate duplicates Z: 19 14.199 1.924 0.527 0.540 0.889 0.556 CB 1.233 19 residues pruned to eliminate duplicates Z: 40 15.026 1.778 0.721 0.447 0.795 0.385 CB 1.044 40 residues pruned to eliminate duplicates Z: 27 17.110 1.857 0.405 0.695 0.962 0.577 CB 1.119 27 residues pruned to eliminate duplicates Z: 58 25.782 1.842 0.668 0.692 0.895 0.474 CB 1.042 58 residues pruned to eliminate duplicates Z: 22 28.446 1.917 0.700 0.909 1.000 0.810 CB 1.351 22 residues pruned to eliminate duplicates Z: 36 20.919 1.837 0.630 0.615 0.914 0.600 CB 1.159 36 residues pruned to eliminate duplicates Z: 16 16.544 2.020 0.505 0.642 0.933 0.467 CB 1.319 16 residues pruned to eliminate duplicates Z: 35 20.170 1.833 0.553 0.711 0.941 0.676 CB 1.066 35 residues pruned to eliminate duplicates Z: 19 14.593 1.857 0.677 0.694 0.778 0.500 CB 1.190 19 residues pruned to eliminate duplicates Z: 15 11.116 1.764 0.530 0.451 0.857 0.357 CB 1.350 15 residues pruned to eliminate duplicates Z: 25 21.730 1.976 0.698 0.777 0.833 0.583 CB 1.243 25 residues pruned to eliminate duplicates Z: 21 14.267 1.892 0.585 0.513 0.900 0.500 CB 1.167 21 residues pruned to eliminate duplicates Z: 22 12.681 1.874 0.540 0.653 0.714 0.381 CB 1.165 22 residues pruned to eliminate duplicates Z: 30 18.834 1.860 0.734 0.733 0.828 0.379 CB 1.063 30 residues pruned to eliminate duplicates Z: 29 17.400 1.855 0.765 0.682 0.857 0.536 CB 0.992 29 residues pruned to eliminate duplicates Z: 23 25.077 1.975 0.925 0.782 0.909 0.318 CB 1.207 23 residues pruned to eliminate duplicates Z: 16 19.484 1.922 0.899 0.744 0.867 0.600 CB 1.278 16 residues pruned to eliminate duplicates Z: 13 14.524 1.897 0.785 0.580 0.917 0.667 CB 1.250 13 residues pruned to eliminate duplicates Z: 25 23.431 1.942 0.756 0.783 1.000 0.708 CB 1.094 25 residues pruned to eliminate duplicates Z: 30 20.858 1.903 0.685 0.671 0.862 0.690 CB 1.196 30 residues pruned to eliminate duplicates Z: 24 24.703 1.954 0.849 0.762 0.913 0.522 CB 1.238 24 residues pruned to eliminate duplicates Z: 25 17.141 1.971 0.583 0.733 0.792 0.500 CB 1.149 25 residues pruned to eliminate duplicates Z: 74 26.871 1.835 0.522 0.670 0.849 0.548 CB 1.133 76 residues pruned to eliminate duplicates Z: 18 17.747 1.904 0.297 0.864 0.941 0.882 CB 1.357 27 residues pruned to eliminate duplicates Z: 21 18.751 1.940 0.261 0.771 0.950 0.800 CB 1.419 21 residues pruned to eliminate duplicates Z: 39 19.337 1.846 0.274 0.641 0.895 0.711 CB 1.306 34 residues pruned to eliminate duplicates Z: 17 21.781 1.984 0.332 0.885 1.000 0.875 CB 1.488 17 residues pruned to eliminate duplicates Z: 18 22.808 1.991 0.391 0.822 1.000 0.824 CB 1.511 18 residues pruned to eliminate duplicates Z: 8 8.495 1.704 0.307 0.554 1.000 0.571 CB 1.367 Z: 17 20.794 1.963 0.299 0.882 1.000 0.938 CB 1.474 25 residues pruned to eliminate duplicates Z: 20 21.640 1.961 0.556 0.783 0.947 0.789 CB 1.338 20 residues pruned to eliminate duplicates Z: 18 25.111 1.952 0.579 0.803 1.000 0.765 CB 1.516 18 residues pruned to eliminate duplicates Z: 19 21.070 1.940 0.554 0.791 0.944 0.556 CB 1.351 19 residues pruned to eliminate duplicates Z: 18 22.728 1.987 0.460 0.821 1.000 0.588 CB 1.439 18 residues pruned to eliminate duplicates Z: 19 22.783 2.005 0.465 0.754 0.944 0.722 CB 1.544 19 residues pruned to eliminate duplicates Z: 21 18.019 1.859 0.460 0.767 0.900 0.700 CB 1.302 21 residues pruned to eliminate duplicates Z: 19 20.476 1.970 0.409 0.785 0.944 0.833 CB 1.432 19 residues pruned to eliminate duplicates Z: 20 20.259 1.923 0.432 0.772 1.000 0.684 CB 1.327 20 residues pruned to eliminate duplicates Z: 19 21.612 1.954 0.409 0.805 1.000 0.778 CB 1.417 19 residues pruned to eliminate duplicates Z: 23 18.787 1.934 0.320 0.668 0.909 0.682 CB 1.478 23 residues pruned to eliminate duplicates Z: 21 17.862 1.929 0.455 0.719 0.900 0.600 CB 1.297 21 residues pruned to eliminate duplicates Z: 36 25.055 1.917 0.459 0.745 0.857 0.629 CB 1.419 35 residues pruned to eliminate duplicates Z: 14 18.233 1.938 0.496 0.793 0.923 0.692 CB 1.461 14 residues pruned to eliminate duplicates Z: 48 24.427 1.827 0.668 0.568 0.787 0.511 CB 1.390 48 residues pruned to eliminate duplicates Z: 36 24.229 1.908 0.479 0.726 0.914 0.600 CB 1.294 36 residues pruned to eliminate duplicates Z: 13 18.210 1.886 0.501 0.743 1.000 0.750 CB 1.494 13 residues pruned to eliminate duplicates Z: 37 24.605 1.917 0.376 0.741 0.917 0.667 CB 1.367 37 residues pruned to eliminate duplicates Z: 33 21.618 1.893 0.605 0.634 0.844 0.656 CB 1.314 33 residues pruned to eliminate duplicates Z: 16 20.261 1.865 0.515 0.819 1.000 0.667 CB 1.403 16 residues pruned to eliminate duplicates Z: 21 13.364 1.871 0.303 0.648 0.800 0.550 CB 1.335 21 residues pruned to eliminate duplicates Z: 37 27.337 1.943 0.483 0.743 0.861 0.667 CB 1.477 37 residues pruned to eliminate duplicates Z: 13 20.731 1.930 0.540 0.877 0.917 0.667 CB 1.596 13 residues pruned to eliminate duplicates Z: 21 16.920 1.839 0.459 0.681 0.850 0.650 CB 1.405 21 residues pruned to eliminate duplicates Z: 38 25.326 1.914 0.312 0.736 0.919 0.649 CB 1.460 38 residues pruned to eliminate duplicates Z: 36 27.504 1.915 0.505 0.761 0.886 0.686 CB 1.445 36 residues pruned to eliminate duplicates Z: 15 19.807 1.839 0.458 0.858 1.000 0.786 CB 1.454 15 residues pruned to eliminate duplicates Z: 36 25.011 1.902 0.559 0.735 0.886 0.400 CB 1.303 36 residues pruned to eliminate duplicates Z: 36 27.082 1.900 0.481 0.735 0.943 0.600 CB 1.397 36 residues pruned to eliminate duplicates Z: 14 5.909 1.413 0.577 0.589 0.769 0.538 CB 0.878 13 residues pruned to eliminate duplicates Z: 16 13.731 1.751 0.356 0.915 1.000 0.867 CB 1.056 16 residues pruned to eliminate duplicates Z: 17 15.130 1.725 0.639 0.925 1.000 0.938 CB 0.939 15 residues pruned to eliminate duplicates Z: 15 16.407 1.762 0.614 0.926 1.000 0.929 CB 1.081 15 residues pruned to eliminate duplicates Z: 6 9.134 1.775 0.710 0.866 1.000 0.800 CB 0.985 6 residues pruned to eliminate duplicates Z: 14 16.309 1.892 0.649 0.822 1.000 0.846 CB 1.097 16 residues pruned to eliminate duplicates Z: 16 13.846 1.709 0.654 0.900 0.933 0.800 CB 0.968 16 residues pruned to eliminate duplicates Z: 15 16.452 1.885 0.981 0.910 1.000 0.929 CB 0.835 13 residues pruned to eliminate duplicates Z: 8 13.436 1.953 1.231 0.897 1.000 1.000 CB 0.834 8 residues pruned to eliminate duplicates Z: 14 13.805 1.816 1.196 0.848 0.923 0.769 CB 0.771 14 residues pruned to eliminate duplicates Z: 18 15.507 1.714 1.177 0.770 0.941 0.647 CB 0.843 18 residues pruned to eliminate duplicates Z: 15 8.449 1.748 0.819 0.544 0.786 0.214 CB 0.866 15 residues pruned to eliminate duplicates Z: 10 11.119 1.860 1.057 0.797 0.889 0.333 CB 0.841 10 residues pruned to eliminate duplicates Z: 9 9.359 1.934 0.971 0.761 0.875 0.125 CB 0.787 9 residues pruned to eliminate duplicates Z: 10 10.759 1.901 0.915 0.733 1.000 0.222 CB 0.799 10 residues pruned to eliminate duplicates Z: 20 12.475 1.752 0.968 0.701 0.842 0.526 CB 0.821 20 residues pruned to eliminate duplicates Z: 14 8.215 1.663 0.325 0.639 0.769 0.615 CB 1.180 14 residues pruned to eliminate duplicates Z: 12 12.609 1.702 0.518 0.713 1.000 0.727 CB 1.213 12 residues pruned to eliminate duplicates Z: 20 14.296 1.732 0.570 0.650 0.842 0.632 CB 1.245 22 residues pruned to eliminate duplicates Z: 18 19.232 1.524 0.843 0.849 1.000 0.882 CB 1.231 15 residues pruned to eliminate duplicates Z: 17 13.622 1.486 0.699 0.851 0.938 0.688 CB 1.065 17 residues pruned to eliminate duplicates Z: 11 13.891 1.717 0.863 0.707 0.900 0.800 CB 1.265 11 residues pruned to eliminate duplicates Z: 9 14.596 1.779 0.944 0.791 0.875 0.875 CB 1.321 9 residues pruned to eliminate duplicates Z: 11 11.333 1.671 0.764 0.639 0.800 0.600 CB 1.335 11 residues pruned to eliminate duplicates Z: 10 13.076 1.738 1.090 0.707 0.889 0.667 CB 1.119 10 residues pruned to eliminate duplicates Z: 10 16.305 1.782 0.821 0.820 1.000 0.778 CB 1.269 10 residues pruned to eliminate duplicates Z: 12 12.918 1.688 0.930 0.754 0.818 0.818 CB 1.165 12 residues pruned to eliminate duplicates Z: 14 21.771 1.695 0.988 0.918 1.000 0.846 CB 1.263 14 residues pruned to eliminate duplicates Z: 14 10.744 1.622 0.754 0.593 0.769 0.308 CB 1.245 14 residues pruned to eliminate duplicates Z: 14 18.457 1.657 0.868 0.847 0.923 0.769 CB 1.331 14 residues pruned to eliminate duplicates Z: 16 16.372 1.569 0.965 0.818 0.867 0.667 CB 1.200 16 residues pruned to eliminate duplicates Z: 14 7.047 1.565 0.667 0.507 0.692 0.385 N 1.074 14 residues pruned to eliminate duplicates Z: 6 5.981 1.360 0.997 0.597 1.000 0.400 N 0.898 6 residues pruned to eliminate duplicates Z: 17 12.054 1.762 0.433 0.562 0.875 0.562 CB 1.284 17 residues pruned to eliminate duplicates Z: 16 10.196 1.728 0.473 0.591 0.933 0.800 CB 1.016 16 residues pruned to eliminate duplicates Z: 7 5.947 1.633 0.530 0.538 0.667 0.500 O 1.405 7 residues pruned to eliminate duplicates Z: 10 7.767 1.735 0.558 0.409 0.889 0.556 CB 1.185 10 residues pruned to eliminate duplicates Z: 7 8.095 1.602 0.877 0.844 1.000 0.833 CB 0.818 7 residues pruned to eliminate duplicates Z: 22 23.008 1.902 0.657 0.820 0.905 0.762 CB 1.334 22 residues pruned to eliminate duplicates Z: 15 14.765 1.692 0.786 0.854 0.929 0.857 CB 1.039 15 residues pruned to eliminate duplicates Z: 20 20.373 1.895 0.586 0.862 1.000 0.842 CB 1.141 20 residues pruned to eliminate duplicates Z: 12 9.626 1.757 0.719 0.735 0.818 0.727 CB 0.951 12 residues pruned to eliminate duplicates Z: 23 24.227 1.926 0.675 0.852 1.000 0.864 CB 1.184 23 residues pruned to eliminate duplicates Z: 17 15.926 1.966 0.423 0.718 0.938 0.625 CB 1.246 17 residues pruned to eliminate duplicates Z: 17 18.034 1.847 0.593 0.703 0.875 0.688 CB 1.455 17 residues pruned to eliminate duplicates Z: 22 20.244 1.933 0.716 0.821 0.905 0.762 CB 1.115 22 residues pruned to eliminate duplicates Z: 22 24.708 1.912 0.634 0.867 0.952 0.810 CB 1.326 22 residues pruned to eliminate duplicates Z: 21 23.832 1.910 0.785 0.833 0.900 0.800 CB 1.303 22 residues pruned to eliminate duplicates Z: 23 24.635 1.903 0.668 0.919 0.955 0.909 CB 1.221 23 residues pruned to eliminate duplicates Z: 23 21.185 1.934 0.741 0.828 0.909 0.773 CB 1.112 23 residues pruned to eliminate duplicates Z: 17 17.422 2.008 0.734 0.721 0.875 0.625 CB 1.171 17 residues pruned to eliminate duplicates Z: 22 22.779 1.949 0.641 0.820 1.000 0.619 CB 1.177 22 residues pruned to eliminate duplicates Z: 20 21.052 1.818 0.857 0.751 0.842 0.737 CB 1.358 19 residues pruned to eliminate duplicates Z: 23 26.613 1.844 0.821 0.893 1.000 0.773 CB 1.213 22 residues pruned to eliminate duplicates Z: 25 24.929 1.815 0.819 0.852 0.917 0.750 CB 1.244 25 residues pruned to eliminate duplicates Z: 32 32.421 1.961 0.748 0.788 0.968 0.839 CB 1.363 37 residues pruned to eliminate duplicates Z: 36 36.890 1.948 0.781 0.852 0.971 0.829 CB 1.368 36 residues pruned to eliminate duplicates Z: 14 13.574 2.008 0.530 0.544 0.846 0.769 CB 1.388 14 residues pruned to eliminate duplicates Z: 23 13.329 1.806 0.545 0.524 0.773 0.500 CB 1.287 23 residues pruned to eliminate duplicates Z: 38 32.637 1.979 0.690 0.735 0.946 0.757 CB 1.372 56 residues pruned to eliminate duplicates Z: 13 23.331 2.120 0.602 0.777 1.000 0.833 CB 1.553 13 residues pruned to eliminate duplicates Z: 14 23.661 2.085 0.692 0.749 0.923 0.538 CB 1.613 14 residues pruned to eliminate duplicates Z: 16 22.339 1.953 0.746 0.757 0.867 0.600 CB 1.553 16 residues pruned to eliminate duplicates Z: 34 31.829 1.979 0.784 0.751 0.939 0.697 CB 1.336 34 residues pruned to eliminate duplicates Z: 19 19.801 1.944 0.661 0.702 0.778 0.667 CB 1.546 19 residues pruned to eliminate duplicates Z: 18 22.553 1.991 0.673 0.745 0.882 0.882 CB 1.495 18 residues pruned to eliminate duplicates Z: 17 25.857 2.011 0.974 0.807 0.938 0.875 CB 1.329 17 residues pruned to eliminate duplicates Z: 22 18.217 1.868 0.643 0.648 0.857 0.667 CB 1.317 22 residues pruned to eliminate duplicates Z: 17 30.900 2.031 0.784 0.863 1.000 0.875 CB 1.565 17 residues pruned to eliminate duplicates Z: 18 18.737 1.773 0.742 0.845 0.941 0.647 CB 1.162 18 residues pruned to eliminate duplicates Z: 29 20.601 1.754 0.895 0.672 0.857 0.464 CB 1.166 29 residues pruned to eliminate duplicates Z: 26 20.747 1.947 0.689 0.748 0.880 0.600 CB 1.149 26 residues pruned to eliminate duplicates Z: 32 22.510 1.856 0.779 0.704 0.871 0.355 CB 1.167 51 residues pruned to eliminate duplicates Z: 13 9.450 1.711 0.525 0.612 0.833 0.667 CB 1.128 Z: 21 13.440 1.635 0.693 0.828 0.900 0.800 CB 0.908 13 residues pruned to eliminate duplicates Z: 12 18.686 1.891 0.746 0.931 1.000 1.000 CB 1.193 15 residues pruned to eliminate duplicates Z: 12 15.218 1.847 0.690 0.912 1.000 0.909 CB 1.041 12 residues pruned to eliminate duplicates Z: 35 27.451 1.808 0.856 0.802 0.912 0.588 CB 1.183 53 residues pruned to eliminate duplicates Z: 12 11.010 1.795 0.535 0.812 0.818 0.636 CB 1.122 Z: 18 20.942 1.800 0.698 0.920 1.000 0.882 CB 1.170 12 residues pruned to eliminate duplicates Z: 20 18.480 1.707 0.862 0.783 0.947 0.737 CB 1.097 20 residues pruned to eliminate duplicates Z: 15 21.647 1.805 0.871 0.908 1.000 0.786 CB 1.217 15 residues pruned to eliminate duplicates Z: 16 18.612 1.773 0.649 0.881 1.000 0.800 CB 1.190 16 residues pruned to eliminate duplicates Z: 8 4.030 1.415 0.545 0.535 0.714 0.571 CB 0.942 8 residues pruned to eliminate duplicates Z: 9 6.630 1.472 0.815 0.749 0.625 0.500 CB 1.124 9 residues pruned to eliminate duplicates Z: 10 7.446 1.533 1.015 0.777 0.889 0.667 CB 0.708 10 residues pruned to eliminate duplicates Z: 9 4.626 1.717 0.364 0.761 1.000 0.875 CB 0.554 9 residues pruned to eliminate duplicates Z: 11 6.071 1.676 0.675 0.523 0.900 0.500 CB 0.742 11 residues pruned to eliminate duplicates Z: 9 4.785 1.799 0.708 0.797 1.000 0.875 CB 0.424 9 residues pruned to eliminate duplicates Z: 20 12.981 1.875 0.566 0.853 1.000 0.842 CB 0.750 20 residues pruned to eliminate duplicates Z: 10 7.455 1.637 0.847 0.706 1.000 0.778 CB 0.682 10 residues pruned to eliminate duplicates Z: 22 19.043 2.030 0.856 0.820 1.000 0.810 CB 0.835 22 residues pruned to eliminate duplicates Z: 18 18.060 1.995 1.021 0.944 1.000 0.941 CB 0.752 18 residues pruned to eliminate duplicates Z: 21 15.837 1.968 0.678 0.818 0.950 0.750 CB 0.857 21 residues pruned to eliminate duplicates Z: 23 16.248 1.957 0.776 0.749 1.000 0.682 CB 0.798 23 residues pruned to eliminate duplicates Z: 21 18.399 2.048 1.008 0.811 0.900 0.600 CB 0.848 21 residues pruned to eliminate duplicates Z: 23 20.208 2.027 0.956 0.804 1.000 0.727 CB 0.833 23 residues pruned to eliminate duplicates Z: 23 14.452 1.946 0.897 0.788 0.864 0.545 CB 0.750 23 residues pruned to eliminate duplicates Z: 23 20.172 1.978 0.850 0.811 1.000 0.864 CB 0.897 24 residues pruned to eliminate duplicates Z: 18 19.778 2.056 1.093 0.906 0.941 0.765 CB 0.842 18 residues pruned to eliminate duplicates Z: 24 17.499 1.971 0.802 0.713 0.913 0.609 CB 0.928 22 residues pruned to eliminate duplicates Z: 22 20.461 1.878 0.950 0.902 1.000 0.762 CB 0.870 22 residues pruned to eliminate duplicates Z: 46 32.517 1.950 0.916 0.713 0.933 0.533 CB 1.146 38 residues pruned to eliminate duplicates Z: 15 13.989 1.991 1.031 0.894 0.857 0.786 CB 0.774 15 residues pruned to eliminate duplicates Z: 46 30.818 1.969 0.650 0.759 0.933 0.733 CB 1.203 48 residues pruned to eliminate duplicates Z: 20 31.319 2.010 0.793 0.790 0.947 0.684 CB 1.631 20 residues pruned to eliminate duplicates Z: 36 27.002 2.010 0.837 0.709 0.886 0.486 CB 1.154 36 residues pruned to eliminate duplicates Z: 42 31.554 1.952 0.899 0.763 0.951 0.610 CB 1.107 42 residues pruned to eliminate duplicates Z: 40 19.681 1.870 0.866 0.677 0.872 0.667 CB 0.880 40 residues pruned to eliminate duplicates Z: 38 33.634 2.066 0.867 0.837 0.946 0.703 CB 1.134 38 residues pruned to eliminate duplicates Z: 41 29.562 2.000 0.778 0.778 0.925 0.775 CB 1.111 41 residues pruned to eliminate duplicates Z: 31 32.338 2.085 0.806 0.809 0.933 0.733 CB 1.284 31 residues pruned to eliminate duplicates Z: 31 36.830 2.055 1.137 0.792 0.900 0.700 CB 1.317 31 residues pruned to eliminate duplicates Z: 40 34.822 2.040 0.919 0.807 0.949 0.641 CB 1.148 42 residues pruned to eliminate duplicates Z: 18 30.517 2.061 0.952 0.891 1.000 0.765 CB 1.322 18 residues pruned to eliminate duplicates Z: 38 34.629 2.010 0.931 0.797 0.919 0.703 CB 1.231 38 residues pruned to eliminate duplicates Z: 30 34.390 2.110 0.891 0.825 0.966 0.655 CB 1.251 30 residues pruned to eliminate duplicates Z: 39 36.580 2.001 0.914 0.777 0.947 0.737 CB 1.281 39 residues pruned to eliminate duplicates Z: 19 23.974 2.093 0.851 0.834 0.778 0.611 CB 1.406 19 residues pruned to eliminate duplicates Z: 41 32.880 2.012 0.866 0.802 0.975 0.650 CB 1.091 41 residues pruned to eliminate duplicates Z: 42 30.147 1.969 0.950 0.787 0.927 0.683 CB 1.028 42 residues pruned to eliminate duplicates Z: 41 23.262 1.970 0.760 0.760 0.825 0.575 CB 1.021 41 residues pruned to eliminate duplicates Z: 48 26.671 1.947 0.900 0.715 0.894 0.617 CB 0.969 48 residues pruned to eliminate duplicates Z: 34 16.654 1.822 0.738 0.488 0.758 0.485 CB 1.223 34 residues pruned to eliminate duplicates Z: 7 2.157 1.551 0.441 0.300 0.667 0.500 CB 0.739 Z: 22 16.146 1.953 0.298 0.800 0.952 0.810 CB 1.123 22 residues pruned to eliminate duplicates Z: 60 35.339 2.009 0.763 0.770 0.932 0.712 CB 1.097 67 residues pruned to eliminate duplicates Z: 23 20.037 1.952 0.513 0.695 0.909 0.682 CB 1.331 23 residues pruned to eliminate duplicates Z: 14 13.084 1.847 0.640 0.579 0.923 0.615 CB 1.202 14 residues pruned to eliminate duplicates Z: 22 19.948 1.989 0.519 0.731 1.000 0.810 CB 1.171 22 residues pruned to eliminate duplicates Z: 26 20.850 1.957 0.594 0.770 1.000 0.760 CB 1.052 26 residues pruned to eliminate duplicates Z: 53 30.213 1.994 0.809 0.732 0.942 0.654 CB 1.000 53 residues pruned to eliminate duplicates Z: 16 13.585 1.877 0.601 0.587 0.867 0.467 CB 1.239 16 residues pruned to eliminate duplicates Z: 15 19.725 1.958 0.596 0.770 1.000 0.571 CB 1.328 15 residues pruned to eliminate duplicates Z: 20 14.842 1.874 0.762 0.555 0.895 0.526 CB 1.093 20 residues pruned to eliminate duplicates Z: 17 20.038 1.990 0.723 0.854 0.938 0.562 CB 1.151 17 residues pruned to eliminate duplicates Z: 14 21.809 2.050 0.687 0.764 1.000 0.615 CB 1.383 14 residues pruned to eliminate duplicates Z: 28 22.044 1.913 0.909 0.710 0.889 0.556 CB 1.080 28 residues pruned to eliminate duplicates Z: 20 16.180 1.867 0.568 0.608 0.895 0.368 CB 1.279 20 residues pruned to eliminate duplicates Z: 75 39.669 1.968 0.782 0.747 0.905 0.649 CB 1.165 65 residues pruned to eliminate duplicates Z: 22 29.806 1.949 0.802 0.898 1.000 0.619 CB 1.325 22 residues pruned to eliminate duplicates Z: 47 29.136 1.959 0.725 0.707 0.935 0.739 CB 1.126 44 residues pruned to eliminate duplicates Z: 20 23.892 1.947 0.681 0.912 1.000 0.737 CB 1.186 20 residues pruned to eliminate duplicates Z: 47 25.830 1.948 0.631 0.659 0.848 0.674 CB 1.220 47 residues pruned to eliminate duplicates Z: 19 20.033 1.957 0.953 0.806 0.889 0.556 CB 1.065 19 residues pruned to eliminate duplicates Z: 21 18.515 1.924 0.908 0.734 0.800 0.450 CB 1.142 21 residues pruned to eliminate duplicates Z: 12 14.041 2.032 0.817 0.705 0.818 0.727 CB 1.163 12 residues pruned to eliminate duplicates Z: 38 30.765 1.952 0.777 0.731 0.919 0.649 CB 1.290 43 residues pruned to eliminate duplicates Z: 37 29.283 1.921 0.665 0.752 0.889 0.611 CB 1.371 37 residues pruned to eliminate duplicates Z: 32 22.527 1.935 0.612 0.719 0.903 0.613 CB 1.178 32 residues pruned to eliminate duplicates Z: 22 17.718 1.929 0.490 0.582 0.857 0.667 CB 1.451 22 residues pruned to eliminate duplicates Z: 16 20.192 2.023 0.340 0.856 0.933 0.867 CB 1.520 16 residues pruned to eliminate duplicates Z: 24 18.239 1.821 0.544 0.649 0.913 0.696 CB 1.290 24 residues pruned to eliminate duplicates Z: 34 32.635 1.980 0.705 0.756 0.909 0.667 CB 1.474 37 residues pruned to eliminate duplicates Z: 16 19.605 2.033 0.247 0.910 1.000 0.867 CB 1.416 16 residues pruned to eliminate duplicates Z: 36 32.705 2.033 0.668 0.802 0.943 0.743 CB 1.328 36 residues pruned to eliminate duplicates Z: 20 20.404 1.967 0.464 0.749 0.947 0.632 CB 1.374 20 residues pruned to eliminate duplicates Z: 23 17.005 1.938 0.516 0.620 0.909 0.727 CB 1.212 23 residues pruned to eliminate duplicates Z: 32 26.092 1.963 0.756 0.698 0.903 0.613 CB 1.257 32 residues pruned to eliminate duplicates Z: 17 22.258 1.998 0.566 0.826 0.938 0.812 CB 1.431 17 residues pruned to eliminate duplicates Z: 18 22.723 1.970 0.650 0.893 0.941 0.824 CB 1.293 18 residues pruned to eliminate duplicates Z: 20 21.629 1.988 0.578 0.739 0.947 0.632 CB 1.348 20 residues pruned to eliminate duplicates Z: 44 28.630 1.947 0.787 0.632 0.907 0.605 CB 1.222 39 residues pruned to eliminate duplicates Z: 18 26.719 1.949 0.764 0.903 1.000 0.882 CB 1.344 18 residues pruned to eliminate duplicates Z: 34 30.224 1.999 0.834 0.805 0.909 0.636 CB 1.210 34 residues pruned to eliminate duplicates Z: 15 11.454 1.753 0.479 0.721 0.929 0.643 CB 1.042 15 residues pruned to eliminate duplicates Z: 19 21.543 1.971 0.582 0.764 1.000 0.722 CB 1.288 19 residues pruned to eliminate duplicates Z: 20 21.049 1.921 0.631 0.759 0.947 0.842 CB 1.292 20 residues pruned to eliminate duplicates Z: 23 25.609 2.020 0.363 0.901 1.000 0.864 CB 1.415 23 residues pruned to eliminate duplicates Z: 17 12.047 1.849 0.412 0.669 0.875 0.625 CB 1.128 17 residues pruned to eliminate duplicates Z: 37 27.801 2.010 0.520 0.776 0.917 0.750 CB 1.297 37 residues pruned to eliminate duplicates Z: 21 18.212 1.916 0.742 0.869 0.900 0.500 CB 0.990 21 residues pruned to eliminate duplicates Z: 23 25.277 2.059 0.737 0.823 0.955 0.682 CB 1.194 23 residues pruned to eliminate duplicates Z: 23 27.360 2.002 0.741 0.833 1.000 0.682 CB 1.255 23 residues pruned to eliminate duplicates Z: 23 32.899 2.032 0.868 0.856 1.000 0.773 CB 1.363 23 residues pruned to eliminate duplicates Z: 38 33.450 2.062 0.719 0.865 0.946 0.838 CB 1.202 38 residues pruned to eliminate duplicates Z: 26 28.921 2.063 0.836 0.840 0.920 0.720 CB 1.239 26 residues pruned to eliminate duplicates Z: 30 23.549 1.913 0.653 0.752 0.931 0.517 CB 1.186 30 residues pruned to eliminate duplicates Z: 43 30.901 1.912 0.794 0.651 0.905 0.619 CB 1.334 42 residues pruned to eliminate duplicates Z: 26 35.018 1.933 0.991 0.912 1.000 0.800 CB 1.288 26 residues pruned to eliminate duplicates Z: 29 24.754 2.010 0.778 0.770 0.893 0.607 CB 1.155 29 residues pruned to eliminate duplicates Z: 69 36.220 1.942 0.659 0.735 0.926 0.706 CB 1.192 77 residues pruned to eliminate duplicates Z: 24 37.792 2.037 1.003 0.929 1.000 0.783 CB 1.352 24 residues pruned to eliminate duplicates Z: 29 29.197 1.916 0.922 0.726 0.893 0.643 CB 1.370 29 residues pruned to eliminate duplicates Z: 40 31.683 1.934 0.850 0.766 0.897 0.641 CB 1.248 40 residues pruned to eliminate duplicates Z: 24 30.042 2.112 0.866 0.881 0.957 0.826 CB 1.204 24 residues pruned to eliminate duplicates Z: 38 35.441 2.089 0.791 0.859 0.946 0.892 CB 1.212 38 residues pruned to eliminate duplicates Z: 14 14.723 1.965 0.593 0.689 0.846 0.538 CB 1.296 14 residues pruned to eliminate duplicates Z: 36 32.645 2.034 0.801 0.786 0.886 0.771 CB 1.322 36 residues pruned to eliminate duplicates Z: 40 39.576 2.019 0.919 0.827 0.949 0.744 CB 1.299 40 residues pruned to eliminate duplicates Z: 42 35.822 1.991 0.888 0.809 0.902 0.659 CB 1.260 42 residues pruned to eliminate duplicates Z: 40 34.952 1.998 0.859 0.768 0.897 0.564 CB 1.325 40 residues pruned to eliminate duplicates Z: 21 19.886 1.864 0.742 0.816 0.950 0.850 CB 1.096 21 residues pruned to eliminate duplicates Z: 40 33.252 1.994 0.898 0.750 0.923 0.436 CB 1.220 40 residues pruned to eliminate duplicates Z: 41 36.748 2.042 0.865 0.855 0.925 0.825 CB 1.217 41 residues pruned to eliminate duplicates Z: 41 35.480 2.027 0.798 0.829 0.950 0.800 CB 1.219 41 residues pruned to eliminate duplicates Z: 45 39.036 1.992 0.907 0.845 0.977 0.750 CB 1.178 43 residues pruned to eliminate duplicates Z: 42 36.269 1.968 0.793 0.843 0.927 0.756 CB 1.289 43 residues pruned to eliminate duplicates Z: 19 25.211 1.953 0.847 0.880 0.944 0.778 CB 1.264 19 residues pruned to eliminate duplicates Z: 18 16.964 1.787 0.932 0.846 0.941 0.706 CB 0.940 18 residues pruned to eliminate duplicates Z: 18 20.338 2.022 0.708 0.756 0.882 0.588 CB 1.289 18 residues pruned to eliminate duplicates Z: 19 23.825 1.978 0.855 0.818 0.944 0.667 CB 1.229 19 residues pruned to eliminate duplicates Z: 45 38.075 2.014 0.836 0.837 0.977 0.818 CB 1.188 45 residues pruned to eliminate duplicates Z: 44 29.326 1.938 0.695 0.780 0.953 0.698 CB 1.116 44 residues pruned to eliminate duplicates Z: 46 36.782 1.987 0.849 0.820 0.956 0.733 CB 1.183 46 residues pruned to eliminate duplicates Z: 42 41.539 2.035 0.946 0.882 0.976 0.732 CB 1.215 42 residues pruned to eliminate duplicates Z: 26 16.178 1.895 0.430 0.744 0.880 0.680 CB 1.091 26 residues pruned to eliminate duplicates Z: 7 4.444 1.487 0.434 0.618 0.833 0.667 CB 0.913 7 residues pruned to eliminate duplicates Z: 23 22.086 1.972 0.472 0.913 0.955 0.909 CB 1.202 23 residues pruned to eliminate duplicates Z: 26 21.444 1.955 0.563 0.794 0.960 0.840 CB 1.130 26 residues pruned to eliminate duplicates Z: 28 21.238 1.958 0.574 0.818 0.926 0.704 CB 1.087 28 residues pruned to eliminate duplicates Z: 28 20.566 1.931 0.781 0.818 0.926 0.704 CB 0.943 28 residues pruned to eliminate duplicates Z: 23 25.289 2.024 0.714 0.902 0.955 0.682 CB 1.161 23 residues pruned to eliminate duplicates Z: 24 23.734 1.952 0.501 0.893 1.000 0.652 CB 1.212 24 residues pruned to eliminate duplicates Z: 28 19.190 1.925 0.563 0.776 0.926 0.556 CB 1.039 28 residues pruned to eliminate duplicates Z: 24 23.524 1.979 0.701 0.895 0.957 0.913 CB 1.092 24 residues pruned to eliminate duplicates Z: 24 25.068 2.013 0.688 0.877 0.957 0.739 CB 1.168 24 residues pruned to eliminate duplicates Z: 44 28.586 1.917 0.610 0.744 0.930 0.674 CB 1.220 44 residues pruned to eliminate duplicates Z: 25 21.071 1.997 0.580 0.855 0.917 0.875 CB 1.097 25 residues pruned to eliminate duplicates Z: 28 23.014 1.979 0.678 0.789 0.889 0.667 CB 1.164 28 residues pruned to eliminate duplicates Z: 25 22.864 1.996 0.711 0.855 0.917 0.792 CB 1.100 25 residues pruned to eliminate duplicates Z: 27 26.599 1.942 0.893 0.788 0.923 0.654 CB 1.193 27 residues pruned to eliminate duplicates Z: 35 27.401 1.937 0.637 0.774 0.941 0.676 CB 1.235 38 residues pruned to eliminate duplicates Z: 45 29.759 1.974 0.647 0.759 0.932 0.750 CB 1.176 45 residues pruned to eliminate duplicates Z: 26 22.296 1.999 0.699 0.821 0.880 0.640 CB 1.129 26 residues pruned to eliminate duplicates Z: 44 28.166 1.905 0.700 0.727 0.860 0.651 CB 1.257 44 residues pruned to eliminate duplicates Z: 25 23.349 2.016 0.728 0.849 0.917 0.708 CB 1.107 25 residues pruned to eliminate duplicates Z: 29 22.565 1.916 0.784 0.737 0.929 0.607 CB 1.086 29 residues pruned to eliminate duplicates Z: 34 21.826 1.848 0.685 0.703 0.879 0.636 CB 1.155 34 residues pruned to eliminate duplicates Z: 35 28.213 1.880 0.737 0.767 0.882 0.706 CB 1.325 35 residues pruned to eliminate duplicates Z: 36 27.017 1.892 0.797 0.724 0.857 0.657 CB 1.280 36 residues pruned to eliminate duplicates Z: 14 17.641 1.935 0.827 0.741 0.923 0.538 CB 1.207 14 residues pruned to eliminate duplicates Z: 12 19.517 1.987 0.716 0.832 1.000 0.909 CB 1.295 12 residues pruned to eliminate duplicates Z: 10 20.328 1.993 0.982 0.700 0.889 0.667 CB 1.609 10 residues pruned to eliminate duplicates Z: 13 16.721 1.957 0.870 0.744 0.917 0.750 CB 1.157 13 residues pruned to eliminate duplicates Z: 13 19.677 1.972 0.586 0.739 0.917 0.750 CB 1.599 13 residues pruned to eliminate duplicates Z: 19 26.734 1.908 0.991 0.803 0.889 0.444 CB 1.432 19 residues pruned to eliminate duplicates Z: 18 33.489 1.944 1.029 0.869 1.000 0.588 CB 1.504 18 residues pruned to eliminate duplicates Z: 18 31.466 1.961 1.016 0.860 0.941 0.706 CB 1.508 18 residues pruned to eliminate duplicates Z: 19 30.377 1.900 0.907 0.838 1.000 0.556 CB 1.477 18 residues pruned to eliminate duplicates Z: 15 28.695 1.947 0.904 0.918 1.000 0.429 CB 1.458 15 residues pruned to eliminate duplicates Z: 20 30.236 1.897 1.058 0.776 0.947 0.579 CB 1.470 20 residues pruned to eliminate duplicates Z: 20 25.266 1.877 0.985 0.852 1.000 0.526 CB 1.150 20 residues pruned to eliminate duplicates Z: 19 29.173 1.923 0.891 0.865 1.000 0.889 CB 1.385 19 residues pruned to eliminate duplicates Z: 20 23.321 1.851 0.909 0.856 0.947 0.316 CB 1.179 20 residues pruned to eliminate duplicates 6 1.412 1.645 0.345 0.240 0.800 0.400 CB 0.482 ? Z: 23 19.297 2.039 0.418 0.798 1.000 0.727 CB 1.096 23 residues pruned to eliminate duplicates Z: 20 22.186 2.012 0.612 0.912 0.947 0.842 CB 1.173 20 residues pruned to eliminate duplicates Z: 10 16.770 2.030 0.877 0.875 1.000 0.667 CB 1.067 10 residues pruned to eliminate duplicates Z: 12 13.412 1.873 0.784 0.872 0.909 0.727 CB 0.970 12 residues pruned to eliminate duplicates Z: 36 26.599 1.996 0.808 0.744 0.914 0.657 CB 1.096 37 residues pruned to eliminate duplicates Z: 20 21.739 2.003 0.761 0.875 0.947 0.737 CB 1.085 20 residues pruned to eliminate duplicates Z: 20 22.389 2.105 0.761 0.867 0.947 0.789 CB 1.070 21 residues pruned to eliminate duplicates Z: 18 24.421 2.073 0.798 0.921 1.000 0.824 CB 1.118 18 residues pruned to eliminate duplicates Z: 33 27.386 2.057 0.688 0.818 0.875 0.719 CB 1.209 33 residues pruned to eliminate duplicates Z: 37 29.756 1.942 0.827 0.753 0.861 0.667 CB 1.295 37 residues pruned to eliminate duplicates Z: 41 29.010 1.952 0.675 0.756 0.925 0.750 CB 1.208 41 residues pruned to eliminate duplicates Z: 21 23.831 2.065 0.966 0.804 0.850 0.750 CB 1.185 21 residues pruned to eliminate duplicates Z: 19 26.367 2.085 0.790 0.925 1.000 0.778 CB 1.168 19 residues pruned to eliminate duplicates Z: 26 23.250 2.054 0.738 0.746 0.920 0.720 CB 1.136 26 residues pruned to eliminate duplicates Z: 23 21.305 2.036 0.670 0.786 0.909 0.636 CB 1.143 23 residues pruned to eliminate duplicates Z: 40 32.310 1.971 0.901 0.806 0.897 0.667 CB 1.179 38 residues pruned to eliminate duplicates Z: 21 24.161 1.973 0.744 0.902 0.900 0.850 CB 1.245 21 residues pruned to eliminate duplicates Z: 40 33.511 2.008 0.823 0.783 0.923 0.769 CB 1.237 40 residues pruned to eliminate duplicates Z: 36 32.762 2.032 0.712 0.842 0.943 0.857 CB 1.259 36 residues pruned to eliminate duplicates Z: 39 33.340 2.008 0.740 0.804 0.921 0.711 CB 1.290 40 residues pruned to eliminate duplicates Z: 20 26.179 1.894 0.540 0.889 1.000 0.842 CB 1.482 20 residues pruned to eliminate duplicates Z: 39 30.739 2.003 0.634 0.796 0.921 0.816 CB 1.277 39 residues pruned to eliminate duplicates Z: 38 33.513 1.985 0.783 0.836 0.946 0.811 CB 1.231 38 residues pruned to eliminate duplicates Z: 36 35.840 2.051 0.704 0.823 0.971 0.857 CB 1.348 37 residues pruned to eliminate duplicates Z: 19 26.967 1.950 0.589 0.864 1.000 0.833 CB 1.504 19 residues pruned to eliminate duplicates Z: 38 28.665 1.983 0.730 0.750 0.919 0.811 CB 1.196 38 residues pruned to eliminate duplicates Z: 17 15.081 1.924 0.418 0.683 0.875 0.562 CB 1.335 17 residues pruned to eliminate duplicates Z: 37 28.061 2.004 0.630 0.777 0.889 0.722 CB 1.262 37 residues pruned to eliminate duplicates Z: 37 32.242 2.047 0.678 0.841 0.917 0.750 CB 1.273 37 residues pruned to eliminate duplicates Z: 39 36.620 2.041 0.849 0.827 0.947 0.763 CB 1.253 38 residues pruned to eliminate duplicates Z: 18 26.757 2.029 0.701 0.875 0.941 0.765 CB 1.452 18 residues pruned to eliminate duplicates Z: 38 35.623 2.050 0.875 0.856 0.946 0.757 CB 1.188 39 residues pruned to eliminate duplicates Z: 19 26.515 1.947 0.738 0.871 0.944 0.944 CB 1.426 19 residues pruned to eliminate duplicates Z: 37 36.880 2.050 0.845 0.845 0.944 0.722 CB 1.280 37 residues pruned to eliminate duplicates Z: 20 25.425 1.897 0.823 0.816 0.947 0.789 CB 1.353 20 residues pruned to eliminate duplicates Z: 38 28.840 1.965 0.835 0.753 0.919 0.649 CB 1.142 38 residues pruned to eliminate duplicates Z: 39 30.332 1.990 0.705 0.809 0.895 0.684 CB 1.238 39 residues pruned to eliminate duplicates Z: 23 14.660 1.825 0.553 0.586 0.864 0.455 CB 1.176 23 residues pruned to eliminate duplicates Z: 7 3.989 1.589 0.205 0.485 1.000 0.333 CB 0.864 Z: 25 21.524 1.897 0.819 0.780 0.875 0.667 CB 1.137 32 residues pruned to eliminate duplicates Z: 8 4.338 1.773 0.291 0.211 1.000 0.286 CB 1.008 Z: 21 24.293 1.916 0.692 0.900 0.950 0.700 CB 1.260 29 residues pruned to eliminate duplicates Z: 12 20.467 1.902 0.727 0.743 1.000 0.818 CB 1.511 12 residues pruned to eliminate duplicates Z: 20 22.550 2.006 0.538 0.782 0.947 0.789 CB 1.381 20 residues pruned to eliminate duplicates Z: 17 14.281 1.878 0.755 0.670 0.875 0.750 CB 1.059 17 residues pruned to eliminate duplicates Z: 59 33.575 1.967 0.765 0.751 0.879 0.655 CB 1.154 52 residues pruned to eliminate duplicates Z: 19 26.666 1.978 0.762 0.913 0.944 0.889 CB 1.352 19 residues pruned to eliminate duplicates Z: 18 14.185 1.911 0.582 0.690 0.882 0.647 CB 1.084 18 residues pruned to eliminate duplicates Z: 19 25.953 2.026 0.737 0.831 0.944 0.722 CB 1.383 19 residues pruned to eliminate duplicates Z: 25 24.076 1.981 0.659 0.722 0.917 0.500 CB 1.335 25 residues pruned to eliminate duplicates Z: 25 21.458 1.935 0.680 0.722 0.917 0.583 CB 1.203 25 residues pruned to eliminate duplicates Z: 18 24.664 2.013 0.849 0.801 0.882 0.471 CB 1.401 18 residues pruned to eliminate duplicates Z: 28 19.291 1.806 0.605 0.586 0.889 0.407 CB 1.327 28 residues pruned to eliminate duplicates Z: 21 20.129 1.885 0.737 0.688 0.850 0.450 CB 1.361 21 residues pruned to eliminate duplicates Z: 36 23.857 1.897 0.629 0.639 0.914 0.543 CB 1.253 36 residues pruned to eliminate duplicates Z: 35 21.110 1.805 0.814 0.650 0.882 0.471 CB 1.089 35 residues pruned to eliminate duplicates Z: 19 26.358 1.986 1.067 0.876 0.944 0.611 CB 1.164 19 residues pruned to eliminate duplicates Z: 17 30.194 1.960 1.270 0.889 0.938 0.438 CB 1.303 17 residues pruned to eliminate duplicates Z: 19 26.017 1.954 0.998 0.903 0.944 0.444 CB 1.186 19 residues pruned to eliminate duplicates Z: 53 31.949 1.887 0.749 0.690 0.904 0.577 CB 1.249 55 residues pruned to eliminate duplicates Z: 19 31.346 2.025 1.114 0.924 1.000 0.611 CB 1.212 19 residues pruned to eliminate duplicates Z: 27 24.960 1.967 0.769 0.755 0.923 0.462 CB 1.214 27 residues pruned to eliminate duplicates Z: 32 28.772 1.972 0.990 0.759 0.839 0.613 CB 1.247 32 residues pruned to eliminate duplicates Z: 37 27.518 1.937 0.759 0.688 0.917 0.583 CB 1.235 37 residues pruned to eliminate duplicates Z: 38 28.989 1.951 0.731 0.728 0.865 0.730 CB 1.329 38 residues pruned to eliminate duplicates Z: 33 20.880 1.904 0.622 0.601 0.875 0.531 CB 1.241 33 residues pruned to eliminate duplicates Z: 39 26.558 1.944 0.824 0.714 0.895 0.605 CB 1.119 39 residues pruned to eliminate duplicates Z: 39 29.122 1.935 0.711 0.771 0.895 0.684 CB 1.255 39 residues pruned to eliminate duplicates Z: 35 32.986 1.976 0.797 0.772 0.941 0.529 CB 1.330 35 residues pruned to eliminate duplicates Z: 41 26.661 1.905 0.769 0.676 0.900 0.625 CB 1.181 41 residues pruned to eliminate duplicates Z: 44 30.453 1.940 0.721 0.710 0.884 0.558 CB 1.301 44 residues pruned to eliminate duplicates Z: 15 17.210 1.887 0.535 0.784 1.000 0.929 CB 1.237 15 residues pruned to eliminate duplicates Z: 12 8.313 1.601 0.425 0.549 0.909 0.636 CB 1.152 12 residues pruned to eliminate duplicates Z: 46 25.786 1.901 0.762 0.700 0.844 0.556 CB 1.133 46 residues pruned to eliminate duplicates Z: 19 14.827 1.833 0.557 0.608 0.944 0.611 CB 1.170 19 residues pruned to eliminate duplicates Z: 29 15.313 1.818 0.523 0.503 0.821 0.429 CB 1.269 29 residues pruned to eliminate duplicates Z: 15 7.449 1.699 0.426 0.526 0.929 0.786 CB 0.863 15 residues pruned to eliminate duplicates Z: 37 28.954 1.868 0.782 0.765 0.917 0.611 CB 1.250 37 residues pruned to eliminate duplicates Z: 19 16.012 1.881 0.699 0.834 0.944 0.833 CB 0.938 19 residues pruned to eliminate duplicates Z: 19 13.716 1.839 0.626 0.881 0.944 0.722 CB 0.829 19 residues pruned to eliminate duplicates Z: 22 20.194 1.906 0.646 0.908 0.952 0.905 CB 1.047 22 residues pruned to eliminate duplicates Z: 19 19.625 1.821 0.866 0.881 0.944 0.667 CB 1.044 19 residues pruned to eliminate duplicates Z: 31 18.283 1.828 0.729 0.723 0.900 0.667 CB 0.959 31 residues pruned to eliminate duplicates Z: 23 19.145 1.881 0.884 0.770 0.955 0.682 CB 0.950 23 residues pruned to eliminate duplicates Z: 36 18.993 1.822 0.599 0.728 0.914 0.714 CB 0.982 36 residues pruned to eliminate duplicates Z: 19 18.341 1.920 0.819 0.926 1.000 0.667 CB 0.868 19 residues pruned to eliminate duplicates Z: 21 18.258 1.900 0.882 0.878 0.850 0.750 CB 0.975 21 residues pruned to eliminate duplicates Z: 21 18.864 1.988 0.744 0.772 0.950 0.750 CB 1.006 21 residues pruned to eliminate duplicates Z: 34 15.921 1.817 0.556 0.661 0.848 0.545 CB 0.995 34 residues pruned to eliminate duplicates Z: 21 18.623 1.892 0.824 0.861 0.900 0.650 CB 0.985 21 residues pruned to eliminate duplicates Z: 12 12.420 1.920 0.714 0.769 0.909 0.636 CB 0.987 12 residues pruned to eliminate duplicates Z: 28 16.443 1.812 0.812 0.654 0.852 0.444 CB 0.980 28 residues pruned to eliminate duplicates Z: 32 18.812 1.849 0.693 0.702 0.839 0.484 CB 1.071 32 residues pruned to eliminate duplicates Z: 21 12.847 1.767 0.736 0.598 0.850 0.550 CB 1.003 21 residues pruned to eliminate duplicates Z: 26 23.275 1.927 0.908 0.800 0.920 0.640 CB 1.059 26 residues pruned to eliminate duplicates Z: 17 9.706 1.760 0.406 0.648 0.750 0.625 CB 1.139 17 residues pruned to eliminate duplicates Z: 26 21.840 1.918 0.790 0.744 0.920 0.600 CB 1.111 26 residues pruned to eliminate duplicates Z: 16 12.860 1.860 0.634 0.568 0.867 0.333 CB 1.181 16 residues pruned to eliminate duplicates Z: 34 19.434 1.717 0.798 0.613 0.848 0.333 CB 1.161 34 residues pruned to eliminate duplicates Z: 27 22.741 1.901 0.918 0.729 0.923 0.462 CB 1.079 27 residues pruned to eliminate duplicates Z: 33 22.202 1.770 0.794 0.621 0.906 0.438 CB 1.217 35 residues pruned to eliminate duplicates Z: 19 16.100 1.748 0.678 0.891 0.944 0.667 CB 0.985 17 residues pruned to eliminate duplicates Z: 21 17.116 1.727 0.766 0.840 0.900 0.450 CB 1.041 22 residues pruned to eliminate duplicates Z: 15 18.011 1.781 1.021 0.891 0.857 0.714 CB 1.122 15 residues pruned to eliminate duplicates Z: 34 29.929 1.874 1.015 0.798 0.939 0.697 CB 1.131 36 residues pruned to eliminate duplicates Z: 22 18.101 1.680 0.856 0.816 0.905 0.429 CB 1.064 19 residues pruned to eliminate duplicates Z: 16 22.330 1.783 1.016 0.916 1.000 0.400 CB 1.133 16 residues pruned to eliminate duplicates Z: 38 29.722 1.825 0.952 0.810 0.919 0.622 CB 1.139 38 residues pruned to eliminate duplicates Z: 11 7.011 1.558 0.460 0.652 0.900 0.600 CB 0.940 11 residues pruned to eliminate duplicates Z: 30 15.737 1.856 0.577 0.625 0.897 0.586 CB 0.989 30 residues pruned to eliminate duplicates Z: 19 9.612 1.758 0.333 0.510 0.889 0.667 CB 1.077 19 residues pruned to eliminate duplicates Z: 6 5.216 1.514 0.283 0.663 1.000 0.600 CB 1.033 Z: 19 19.253 1.759 0.666 0.824 1.000 0.833 CB 1.169 19 residues pruned to eliminate duplicates Z: 35 27.739 1.849 0.941 0.792 0.971 0.676 CB 1.057 41 residues pruned to eliminate duplicates Z: 49 20.151 1.709 0.777 0.594 0.854 0.562 CB 1.025 49 residues pruned to eliminate duplicates Z: 18 5.903 1.542 0.362 0.349 0.882 0.471 CB 0.910 6 residues pruned to eliminate duplicates Z: 20 11.644 1.823 0.390 0.933 1.000 0.895 CB 0.736 20 residues pruned to eliminate duplicates Z: 19 10.195 1.687 0.534 0.698 0.833 0.611 CB 0.931 19 residues pruned to eliminate duplicates Z: 15 8.932 1.668 0.400 0.608 1.000 0.714 CB 0.922 15 residues pruned to eliminate duplicates Z: 11 4.440 1.594 0.641 0.286 0.800 0.100 CB 0.853 11 residues pruned to eliminate duplicates Z: 15 7.972 1.580 0.581 0.625 0.857 0.429 CB 0.884 15 residues pruned to eliminate duplicates Z: 20 13.319 1.830 0.579 0.885 0.947 0.684 CB 0.806 20 residues pruned to eliminate duplicates Z: 10 7.589 1.736 0.613 0.672 0.889 0.444 CB 0.867 10 residues pruned to eliminate duplicates Z: 12 10.121 1.699 0.697 0.821 0.909 0.455 CB 0.881 12 residues pruned to eliminate duplicates Z: 20 12.789 1.810 0.738 0.867 1.000 0.737 CB 0.682 20 residues pruned to eliminate duplicates Z: 12 7.489 1.647 0.540 0.690 1.000 0.455 CB 0.748 12 residues pruned to eliminate duplicates Z: 17 11.442 1.862 0.715 0.743 0.875 0.688 CB 0.823 17 residues pruned to eliminate duplicates Z: 13 10.796 1.916 0.558 0.833 0.917 0.750 CB 0.855 13 residues pruned to eliminate duplicates Z: 8 14.798 2.065 0.569 0.751 1.000 0.857 CB 1.381 8 residues pruned to eliminate duplicates Z: 14 10.175 1.877 0.883 0.781 0.846 0.692 CB 0.737 14 residues pruned to eliminate duplicates Z: 17 14.362 1.878 0.726 0.864 0.938 0.875 CB 0.867 17 residues pruned to eliminate duplicates Z: 13 7.958 1.840 0.781 0.801 0.833 0.833 CB 0.647 13 residues pruned to eliminate duplicates Z: 11 11.385 1.951 0.733 0.798 0.900 0.800 CB 0.911 11 residues pruned to eliminate duplicates Z: 10 12.394 2.033 0.801 0.923 1.000 1.000 CB 0.793 10 residues pruned to eliminate duplicates Z: 23 14.293 1.755 0.752 0.787 0.955 0.727 CB 0.807 23 residues pruned to eliminate duplicates Z: 20 13.310 1.839 0.815 0.890 0.947 0.842 CB 0.694 20 residues pruned to eliminate duplicates Z: 9 3.805 1.726 0.172 0.383 0.750 0.625 CB 1.005 9 residues pruned to eliminate duplicates Z: 24 16.039 1.787 0.865 0.668 0.870 0.609 CB 0.988 24 residues pruned to eliminate duplicates Z: 7 4.291 1.649 0.316 0.747 0.667 0.333 CB 0.971 7 residues pruned to eliminate duplicates Z: 13 13.969 1.763 0.640 0.764 0.917 0.250 CB 1.203 13 residues pruned to eliminate duplicates Z: 26 15.133 1.847 0.656 0.724 0.880 0.560 CB 0.918 26 residues pruned to eliminate duplicates Z: 34 16.772 1.821 0.686 0.768 0.879 0.606 CB 0.853 34 residues pruned to eliminate duplicates Z: 14 14.025 1.771 0.720 0.744 1.000 0.615 CB 1.027 14 residues pruned to eliminate duplicates Z: 15 13.063 1.765 0.598 0.763 0.929 0.571 CB 1.056 17 residues pruned to eliminate duplicates Z: 12 10.717 1.713 0.831 0.746 0.818 0.364 CB 1.011 12 residues pruned to eliminate duplicates Z: 13 9.533 1.639 0.569 0.704 0.833 0.333 CB 1.067 13 residues pruned to eliminate duplicates Z: 40 18.925 1.786 0.681 0.744 0.923 0.564 CB 0.879 39 residues pruned to eliminate duplicates Z: 17 13.571 1.719 0.537 0.841 1.000 0.500 CB 0.958 17 residues pruned to eliminate duplicates Z: 16 12.417 1.734 0.582 0.729 1.000 0.667 CB 0.951 16 residues pruned to eliminate duplicates Z: 15 12.340 1.727 0.485 0.756 0.929 0.786 CB 1.103 15 residues pruned to eliminate duplicates Z: 28 10.015 1.795 0.431 0.652 0.852 0.704 CB 0.765 28 residues pruned to eliminate duplicates Z: 42 18.010 1.799 0.542 0.636 0.927 0.707 CB 0.963 40 residues pruned to eliminate duplicates Z: 6 3.691 1.522 0.345 0.397 1.000 0.400 CB 0.899 6 residues pruned to eliminate duplicates Z: 26 17.920 1.765 0.568 0.722 0.880 0.680 CB 1.204 26 residues pruned to eliminate duplicates Z: 48 14.285 1.739 0.439 0.601 0.851 0.617 CB 0.889 48 residues pruned to eliminate duplicates Z: 13 8.528 1.707 0.366 0.433 0.917 0.500 CB 1.234 13 residues pruned to eliminate duplicates Z: 15 9.417 1.739 0.394 0.551 0.857 0.643 CB 1.152 15 residues pruned to eliminate duplicates Z: 17 9.581 1.667 0.491 0.521 0.812 0.562 CB 1.161 17 residues pruned to eliminate duplicates Z: 9 7.130 1.760 0.274 0.598 0.750 0.500 CB 1.365 9 residues pruned to eliminate duplicates Z: 12 14.286 1.819 0.569 0.675 0.909 0.636 CB 1.413 12 residues pruned to eliminate duplicates Z: 15 9.498 1.732 0.404 0.557 0.857 0.571 CB 1.152 15 residues pruned to eliminate duplicates Z: 20 13.781 1.704 0.826 0.509 0.842 0.474 CB 1.196 20 residues pruned to eliminate duplicates Z: 22 16.612 1.796 0.651 0.659 0.857 0.762 CB 1.231 22 residues pruned to eliminate duplicates Z: 22 17.341 1.796 0.688 0.736 0.857 0.667 CB 1.179 22 residues pruned to eliminate duplicates Z: 25 12.873 1.777 0.669 0.602 0.792 0.708 CB 1.015 25 residues pruned to eliminate duplicates Z: 25 12.629 1.781 0.560 0.649 0.792 0.708 CB 1.021 25 residues pruned to eliminate duplicates Z: 22 17.007 1.793 0.619 0.681 0.905 0.714 CB 1.196 22 residues pruned to eliminate duplicates Z: 21 19.399 1.761 0.763 0.670 0.900 0.650 CB 1.327 21 residues pruned to eliminate duplicates Z: 11 12.006 1.752 0.523 0.710 0.900 0.500 CB 1.306 11 residues pruned to eliminate duplicates Z: 20 21.653 1.832 0.663 0.859 0.947 0.579 CB 1.266 20 residues pruned to eliminate duplicates Z: 17 19.707 1.855 0.820 0.719 0.938 0.562 CB 1.277 17 residues pruned to eliminate duplicates Z: 14 14.339 1.797 0.829 0.743 0.769 0.462 CB 1.265 14 residues pruned to eliminate duplicates Z: 36 15.250 1.684 0.602 0.600 0.886 0.429 CB 0.980 36 residues pruned to eliminate duplicates Z: 27 17.528 1.763 0.713 0.693 0.923 0.615 CB 1.034 27 residues pruned to eliminate duplicates Z: 27 13.821 1.770 0.540 0.642 0.846 0.462 CB 1.030 27 residues pruned to eliminate duplicates Z: 21 14.953 1.792 0.664 0.772 0.800 0.600 CB 1.102 21 residues pruned to eliminate duplicates Z: 16 6.799 1.651 0.132 0.600 0.867 0.467 CB 0.985 11 residues pruned to eliminate duplicates Z: 19 12.222 1.627 0.428 0.823 0.944 0.722 CB 0.992 19 residues pruned to eliminate duplicates Z: 11 5.993 1.775 0.237 0.607 0.900 0.500 CB 0.866 11 residues pruned to eliminate duplicates Z: 8 7.644 1.763 0.127 0.768 1.000 0.857 CB 1.147 8 residues pruned to eliminate duplicates Z: 10 7.433 1.696 0.272 0.720 1.000 0.444 CB 0.941 10 residues pruned to eliminate duplicates Z: 10 5.079 1.644 0.386 0.411 1.000 0.333 CB 0.815 10 residues pruned to eliminate duplicates Z: 12 8.197 1.778 0.385 0.624 0.818 0.545 CB 1.092 12 residues pruned to eliminate duplicates Z: 11 6.728 1.727 0.455 0.714 0.800 0.200 CB 0.872 11 residues pruned to eliminate duplicates Z: 31 15.156 1.761 0.400 0.647 0.800 0.600 CB 1.223 33 residues pruned to eliminate duplicates Z: 16 13.042 1.782 0.453 0.862 0.933 0.800 CB 1.023 16 residues pruned to eliminate duplicates Z: 13 11.525 1.857 0.515 0.740 0.917 0.667 CB 1.041 13 residues pruned to eliminate duplicates Z: 13 10.026 1.837 0.418 0.682 0.917 0.750 CB 1.025 13 residues pruned to eliminate duplicates Z: 12 13.975 1.909 0.567 0.889 0.909 0.909 CB 1.115 12 residues pruned to eliminate duplicates Z: 15 10.945 1.766 0.423 0.743 1.000 0.714 CB 0.936 15 residues pruned to eliminate duplicates Z: 15 10.080 1.810 0.407 0.609 0.857 0.643 CB 1.113 15 residues pruned to eliminate duplicates Z: 15 9.612 1.769 0.753 0.623 0.786 0.714 CB 0.939 15 residues pruned to eliminate duplicates Z: 13 15.383 1.869 0.555 0.784 1.000 0.583 CB 1.190 13 residues pruned to eliminate duplicates Z: 14 15.606 1.852 0.622 0.715 0.846 0.615 CB 1.402 14 residues pruned to eliminate duplicates Z: 13 17.046 1.906 0.693 0.840 0.917 0.750 CB 1.242 13 residues pruned to eliminate duplicates Z: 12 16.554 1.956 0.777 0.820 0.909 0.818 CB 1.197 12 residues pruned to eliminate duplicates Z: 15 15.362 1.769 0.582 0.828 1.000 0.786 CB 1.104 15 residues pruned to eliminate duplicates Z: 16 16.514 1.800 0.712 0.804 1.000 0.800 CB 1.061 17 residues pruned to eliminate duplicates Z: 16 16.082 1.787 0.624 0.838 1.000 0.733 CB 1.069 16 residues pruned to eliminate duplicates Z: 35 18.924 1.818 0.631 0.602 0.853 0.559 CB 1.165 69 residues pruned to eliminate duplicates Z: 23 10.787 1.745 0.654 0.514 0.727 0.500 CB 1.081 23 residues pruned to eliminate duplicates Z: 9 7.332 1.738 0.851 0.377 0.875 0.250 CB 1.050 9 residues pruned to eliminate duplicates Z: 19 9.468 1.874 0.669 0.477 0.722 0.389 CB 1.012 19 residues pruned to eliminate duplicates Z: 42 25.216 1.920 0.684 0.724 0.902 0.634 CB 1.103 42 residues pruned to eliminate duplicates Z: 11 5.985 1.679 0.544 0.470 0.800 0.400 CB 0.940 11 residues pruned to eliminate duplicates Z: 14 10.316 1.862 0.462 0.610 0.923 0.692 CB 1.025 14 residues pruned to eliminate duplicates Z: 16 14.372 1.854 0.873 0.606 1.000 0.400 CB 0.967 16 residues pruned to eliminate duplicates Z: 20 20.054 2.010 0.637 0.744 0.947 0.684 CB 1.186 20 residues pruned to eliminate duplicates Z: 16 19.445 1.932 0.703 0.867 0.933 0.667 CB 1.196 16 residues pruned to eliminate duplicates Z: 22 17.945 1.960 0.773 0.778 0.905 0.571 CB 0.974 22 residues pruned to eliminate duplicates Z: 22 19.643 1.894 0.891 0.724 0.905 0.524 CB 1.082 22 residues pruned to eliminate duplicates Z: 21 16.497 1.965 0.732 0.672 0.850 0.400 CB 1.088 21 residues pruned to eliminate duplicates Z: 29 18.713 1.936 0.637 0.642 0.893 0.500 CB 1.094 29 residues pruned to eliminate duplicates Z: 22 21.007 2.025 1.041 0.799 0.905 0.714 CB 0.943 22 residues pruned to eliminate duplicates Z: 29 17.343 1.904 0.707 0.675 0.857 0.536 CB 1.002 29 residues pruned to eliminate duplicates Z: 31 21.944 1.931 0.766 0.646 0.933 0.567 CB 1.099 31 residues pruned to eliminate duplicates Z: 27 23.498 1.973 0.851 0.670 0.962 0.538 CB 1.122 27 residues pruned to eliminate duplicates Z: 27 22.843 1.967 0.710 0.698 0.923 0.538 CB 1.204 27 residues pruned to eliminate duplicates Z: 19 25.318 2.038 0.942 0.765 0.944 0.444 CB 1.262 19 residues pruned to eliminate duplicates Z: 28 25.873 1.970 0.781 0.760 0.889 0.556 CB 1.267 28 residues pruned to eliminate duplicates Z: 19 27.004 1.922 1.087 0.860 1.000 0.667 CB 1.167 19 residues pruned to eliminate duplicates Z: 26 18.162 1.915 0.692 0.579 0.800 0.480 CB 1.299 26 residues pruned to eliminate duplicates Z: 19 20.371 1.980 1.151 0.820 0.944 0.556 CB 0.905 19 residues pruned to eliminate duplicates Z: 34 23.282 1.923 0.880 0.694 0.879 0.424 CB 1.069 34 residues pruned to eliminate duplicates Z: 42 28.326 1.917 0.857 0.760 0.902 0.634 CB 1.093 42 residues pruned to eliminate duplicates Z: 19 16.341 1.827 0.668 0.770 0.889 0.500 CB 1.119 19 residues pruned to eliminate duplicates Z: 46 25.106 1.836 0.820 0.632 0.933 0.489 CB 1.060 46 residues pruned to eliminate duplicates Z: 16 16.238 1.856 0.661 0.841 0.867 0.467 CB 1.170 16 residues pruned to eliminate duplicates Z: 33 23.869 1.877 0.786 0.692 0.906 0.250 CB 1.166 33 residues pruned to eliminate duplicates Z: 32 25.468 1.896 0.865 0.748 0.871 0.419 CB 1.190 32 residues pruned to eliminate duplicates Z: 38 29.745 1.892 0.904 0.797 0.919 0.676 CB 1.139 38 residues pruned to eliminate duplicates Z: 21 17.230 1.814 0.694 0.764 0.950 0.550 CB 1.044 21 residues pruned to eliminate duplicates Z: 38 22.749 1.886 0.740 0.731 0.865 0.595 CB 1.071 38 residues pruned to eliminate duplicates Z: 18 23.193 1.882 0.741 0.837 1.000 0.588 CB 1.284 18 residues pruned to eliminate duplicates Z: 49 23.883 1.861 0.630 0.642 0.896 0.500 CB 1.111 49 residues pruned to eliminate duplicates Z: 43 27.602 1.916 0.810 0.762 0.905 0.595 CB 1.075 43 residues pruned to eliminate duplicates Z: 85 43.820 1.935 0.839 0.765 0.905 0.655 CB 1.174 85 residues pruned to eliminate duplicates Z: 65 28.640 1.892 0.625 0.678 0.906 0.547 CB 1.091 61 residues pruned to eliminate duplicates Z: 18 16.752 1.844 0.679 0.846 0.824 0.412 CB 1.184 18 residues pruned to eliminate duplicates Z: 41 24.134 1.883 0.759 0.731 0.825 0.525 CB 1.135 41 residues pruned to eliminate duplicates Z: 39 23.780 1.851 0.869 0.701 0.842 0.500 CB 1.102 39 residues pruned to eliminate duplicates Z: 47 26.603 1.900 0.748 0.690 0.870 0.348 CB 1.141 47 residues pruned to eliminate duplicates Z: 69 30.606 1.921 0.626 0.666 0.853 0.544 CB 1.195 69 residues pruned to eliminate duplicates Z: 44 19.628 1.809 0.669 0.647 0.884 0.558 CB 0.978 44 residues pruned to eliminate duplicates Z: 80 35.855 1.874 0.618 0.688 0.924 0.519 CB 1.212 80 residues pruned to eliminate duplicates Z: 27 12.960 1.862 0.329 0.591 0.808 0.500 CB 1.166 27 residues pruned to eliminate duplicates Z: 49 25.443 1.872 0.741 0.625 0.896 0.396 CB 1.118 49 residues pruned to eliminate duplicates Z: 62 34.750 1.923 0.759 0.716 0.934 0.590 CB 1.158 62 residues pruned to eliminate duplicates Z: 15 14.186 1.854 0.567 0.615 0.929 0.500 CB 1.261 15 residues pruned to eliminate duplicates Z: 69 33.279 1.920 0.665 0.710 0.912 0.588 CB 1.144 69 residues pruned to eliminate duplicates Z: 41 25.777 1.912 0.538 0.774 0.900 0.650 CB 1.208 41 residues pruned to eliminate duplicates Z: 23 18.100 1.899 0.496 0.695 0.955 0.864 CB 1.190 23 residues pruned to eliminate duplicates Z: 35 22.738 1.879 0.481 0.686 0.941 0.735 CB 1.256 35 residues pruned to eliminate duplicates Z: 22 22.353 2.001 0.577 0.810 0.905 0.857 CB 1.304 22 residues pruned to eliminate duplicates Z: 53 30.569 1.910 0.590 0.720 0.942 0.615 CB 1.215 53 residues pruned to eliminate duplicates Z: 32 15.402 1.853 0.441 0.623 0.806 0.516 CB 1.144 32 residues pruned to eliminate duplicates Z: 66 35.506 1.923 0.770 0.739 0.908 0.677 CB 1.151 66 residues pruned to eliminate duplicates Z: 71 37.086 1.925 0.665 0.730 0.929 0.700 CB 1.210 71 residues pruned to eliminate duplicates Z: 37 25.030 1.860 0.760 0.708 0.889 0.556 CB 1.187 37 residues pruned to eliminate duplicates Z: 30 20.441 1.873 0.654 0.678 0.862 0.621 CB 1.207 30 residues pruned to eliminate duplicates Z: 27 19.832 1.938 0.547 0.735 0.885 0.769 CB 1.187 27 residues pruned to eliminate duplicates Z: 20 28.872 2.046 0.593 0.915 1.000 0.895 CB 1.436 20 residues pruned to eliminate duplicates Z: 22 27.452 1.998 0.783 0.849 0.952 0.714 CB 1.309 22 residues pruned to eliminate duplicates Z: 61 33.361 1.879 0.841 0.724 0.867 0.433 CB 1.174 61 residues pruned to eliminate duplicates Z: 102 42.415 1.924 0.659 0.703 0.921 0.594 CB 1.194 102 residues pruned to eliminate duplicates Z: 69 35.088 1.892 0.927 0.713 0.882 0.471 CB 1.091 69 residues pruned to eliminate duplicates Z: 36 17.392 1.785 0.563 0.606 0.829 0.600 CB 1.150 36 residues pruned to eliminate duplicates Z: 31 21.905 1.865 0.704 0.665 0.900 0.600 CB 1.201 31 residues pruned to eliminate duplicates Z: 59 34.748 1.899 0.646 0.727 0.948 0.690 CB 1.255 59 residues pruned to eliminate duplicates Z: 78 34.737 1.877 0.685 0.705 0.909 0.519 CB 1.143 78 residues pruned to eliminate duplicates Z: 55 30.236 1.869 0.625 0.680 0.907 0.611 CB 1.265 55 residues pruned to eliminate duplicates Z: 17 17.083 1.922 0.368 0.772 0.938 0.688 CB 1.362 17 residues pruned to eliminate duplicates Z: 38 32.308 1.951 0.644 0.798 0.973 0.703 CB 1.312 38 residues pruned to eliminate duplicates Z: 16 16.699 1.989 0.204 0.802 1.000 0.800 CB 1.382 16 residues pruned to eliminate duplicates Z: 45 29.719 1.937 0.596 0.729 0.932 0.636 CB 1.266 45 residues pruned to eliminate duplicates Z: 39 27.561 1.963 0.512 0.713 0.947 0.737 CB 1.311 39 residues pruned to eliminate duplicates Z: 15 17.348 1.979 0.257 0.807 1.000 0.857 CB 1.426 15 residues pruned to eliminate duplicates Z: 27 16.379 1.897 0.257 0.672 0.923 0.692 CB 1.245 27 residues pruned to eliminate duplicates Z: 80 36.572 1.896 0.746 0.703 0.873 0.620 CB 1.183 80 residues pruned to eliminate duplicates Z: 16 17.024 1.918 0.390 0.779 1.000 0.800 CB 1.288 16 residues pruned to eliminate duplicates Z: 19 16.088 1.845 0.414 0.720 0.889 0.667 CB 1.340 19 residues pruned to eliminate duplicates Z: 17 15.030 1.955 0.401 0.721 0.875 0.812 CB 1.284 17 residues pruned to eliminate duplicates Z: 38 24.193 1.952 0.411 0.739 0.946 0.757 CB 1.232 38 residues pruned to eliminate duplicates Z: 28 16.945 1.962 0.250 0.648 0.926 0.630 CB 1.250 28 residues pruned to eliminate duplicates Z: 30 17.188 1.836 0.291 0.617 0.966 0.621 CB 1.249 30 residues pruned to eliminate duplicates Z: 38 22.996 1.937 0.379 0.689 0.919 0.622 CB 1.296 38 residues pruned to eliminate duplicates Z: 38 26.979 1.975 0.523 0.718 0.946 0.622 CB 1.280 38 residues pruned to eliminate duplicates Z: 107 45.418 1.914 0.706 0.723 0.943 0.547 CB 1.171 107 residues pruned to eliminate duplicates Z: 36 24.072 1.933 0.624 0.741 0.886 0.686 CB 1.179 36 residues pruned to eliminate duplicates Z: 40 27.229 1.950 0.565 0.730 0.974 0.769 CB 1.191 40 residues pruned to eliminate duplicates Z: 71 35.984 1.917 0.562 0.738 0.957 0.600 CB 1.212 71 residues pruned to eliminate duplicates Z: 38 23.251 1.959 0.496 0.688 0.946 0.703 CB 1.161 38 residues pruned to eliminate duplicates Z: 53 25.042 1.869 0.553 0.605 0.904 0.519 CB 1.198 53 residues pruned to eliminate duplicates Z: 55 35.980 1.938 0.682 0.731 0.981 0.648 CB 1.243 55 residues pruned to eliminate duplicates Z: 105 42.449 1.927 0.646 0.678 0.904 0.692 CB 1.233 105 residues pruned to eliminate duplicates Z: 80 37.850 1.905 0.683 0.711 0.911 0.658 CB 1.204 80 residues pruned to eliminate duplicates Z: 70 33.837 1.883 0.686 0.680 0.913 0.609 CB 1.190 70 residues pruned to eliminate duplicates Z: 61 26.741 1.811 0.600 0.635 0.917 0.617 CB 1.145 61 residues pruned to eliminate duplicates Z: 20 21.866 1.917 0.694 0.723 0.947 0.632 CB 1.333 20 residues pruned to eliminate duplicates Z: 41 28.103 1.967 0.672 0.717 0.950 0.650 CB 1.169 41 residues pruned to eliminate duplicates Z: 35 23.725 1.943 0.470 0.734 0.912 0.588 CB 1.266 35 residues pruned to eliminate duplicates Z: 17 18.504 1.983 0.680 0.745 0.938 0.875 CB 1.189 17 residues pruned to eliminate duplicates Z: 40 27.116 1.962 0.670 0.709 0.949 0.487 CB 1.156 40 residues pruned to eliminate duplicates Z: 42 25.783 1.940 0.579 0.685 0.902 0.634 CB 1.229 42 residues pruned to eliminate duplicates Z: 67 33.509 1.944 0.620 0.713 0.924 0.636 CB 1.169 67 residues pruned to eliminate duplicates Z: 18 18.958 2.025 0.611 0.697 0.882 0.647 CB 1.335 18 residues pruned to eliminate duplicates Z: 36 26.934 1.954 0.545 0.715 0.943 0.714 CB 1.316 36 residues pruned to eliminate duplicates Z: 38 18.432 1.916 0.434 0.575 0.946 0.541 CB 1.085 38 residues pruned to eliminate duplicates Z: 27 20.020 1.886 0.889 0.669 0.846 0.538 CB 1.114 32 residues pruned to eliminate duplicates Z: 17 22.665 1.791 0.614 0.898 1.000 0.938 CB 1.403 17 residues pruned to eliminate duplicates Z: 13 9.978 1.671 0.737 0.653 0.750 0.500 N 1.147 13 residues pruned to eliminate duplicates Z: 19 17.688 1.797 0.630 0.800 0.833 0.556 N 1.313 19 residues pruned to eliminate duplicates Z: 18 20.522 1.788 0.558 0.863 1.000 0.706 CB 1.311 18 residues pruned to eliminate duplicates Z: 18 19.416 1.729 0.813 0.798 1.000 0.765 CB 1.158 18 residues pruned to eliminate duplicates Z: 36 25.990 1.788 0.818 0.753 0.886 0.429 CB 1.218 36 residues pruned to eliminate duplicates Z: 14 12.851 1.860 0.809 0.837 0.615 0.462 CB 1.288 14 residues pruned to eliminate duplicates Z: 17 18.129 1.834 0.536 0.891 0.875 0.625 CB 1.322 17 residues pruned to eliminate duplicates Z: 41 30.379 1.889 0.732 0.820 0.950 0.500 CB 1.170 41 residues pruned to eliminate duplicates Z: 18 23.377 1.782 0.706 0.904 1.000 0.529 CB 1.328 18 residues pruned to eliminate duplicates Z: 19 21.050 1.774 0.583 0.820 1.000 0.500 N 1.339 19 residues pruned to eliminate duplicates Z: 18 19.666 1.839 0.529 0.897 0.941 0.353 CB 1.289 18 residues pruned to eliminate duplicates Z: 16 18.418 1.784 0.719 0.910 0.867 0.533 N 1.268 16 residues pruned to eliminate duplicates Z: 23 16.669 1.679 0.614 0.687 0.909 0.455 CB 1.216 23 residues pruned to eliminate duplicates Z: 38 27.981 1.900 0.837 0.802 0.892 0.541 CB 1.135 38 residues pruned to eliminate duplicates Z: 36 27.045 1.825 0.800 0.698 0.943 0.600 CB 1.232 36 residues pruned to eliminate duplicates Z: 36 19.372 1.750 0.601 0.626 0.886 0.486 CB 1.172 15 residues pruned to eliminate duplicates Z: 22 17.734 1.922 0.345 0.800 0.952 0.762 CB 1.209 22 residues pruned to eliminate duplicates Z: 21 11.902 1.843 0.582 0.582 0.800 0.600 CB 1.055 21 residues pruned to eliminate duplicates Z: 14 12.944 1.812 0.664 0.636 0.923 0.385 CB 1.135 14 residues pruned to eliminate duplicates Z: 25 19.642 1.868 0.679 0.727 0.917 0.667 CB 1.136 25 residues pruned to eliminate duplicates Z: 14 15.982 1.868 0.772 0.846 1.000 0.769 CB 0.995 14 residues pruned to eliminate duplicates Z: 20 19.776 1.957 0.552 0.757 0.947 0.789 CB 1.254 20 residues pruned to eliminate duplicates Z: 18 20.440 2.040 0.513 0.850 0.941 0.647 CB 1.264 18 residues pruned to eliminate duplicates Z: 19 21.210 2.034 0.767 0.808 0.944 0.500 CB 1.126 19 residues pruned to eliminate duplicates Z: 20 20.171 2.006 0.618 0.811 0.947 0.579 CB 1.148 20 residues pruned to eliminate duplicates Z: 19 20.950 2.011 0.718 0.843 0.889 0.611 CB 1.197 19 residues pruned to eliminate duplicates Z: 18 22.081 2.079 0.929 0.879 0.941 0.412 CB 1.029 18 residues pruned to eliminate duplicates Z: 18 14.110 1.841 0.822 0.616 0.765 0.529 CB 1.195 18 residues pruned to eliminate duplicates Z: 14 19.886 2.113 0.769 0.791 0.923 0.615 CB 1.239 14 residues pruned to eliminate duplicates Z: 11 14.253 2.031 0.810 0.771 0.800 0.600 CB 1.206 11 residues pruned to eliminate duplicates Z: 14 12.824 2.024 0.934 0.767 0.692 0.308 CB 1.036 14 residues pruned to eliminate duplicates Z: 20 19.346 1.959 0.824 0.784 0.842 0.421 CB 1.149 20 residues pruned to eliminate duplicates Z: 21 22.030 1.993 1.021 0.740 0.950 0.400 CB 1.038 21 residues pruned to eliminate duplicates Z: 19 17.068 1.995 1.006 0.795 0.833 0.167 CB 0.931 19 residues pruned to eliminate duplicates Z: 30 13.819 1.827 0.729 0.624 0.828 0.345 CB 0.874 30 residues pruned to eliminate duplicates Z: 19 16.492 2.003 1.010 0.812 0.778 0.167 CB 0.946 19 residues pruned to eliminate duplicates Z: 20 18.816 1.983 0.873 0.852 0.842 0.632 CB 1.021 20 residues pruned to eliminate duplicates 824 residues left after pruning, divided into chains as follows: A: 9 B: 18 C: 37 D: 99 E: 35 F: 39 G: 18 H: 87 I: 43 J: 103 K: 38 L: 63 M: 194 N: 41 CC for partial structure against native data = 43.00 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.645, Connect. = 0.726 for dens.mod. cycle 1 = 0.300, Contrast = 0.729, Connect. = 0.752 for dens.mod. cycle 2 = 0.300, Contrast = 0.862, Connect. = 0.774 for dens.mod. cycle 3 = 0.300, Contrast = 0.875, Connect. = 0.774 for dens.mod. cycle 4 = 0.300, Contrast = 0.884, Connect. = 0.774 for dens.mod. cycle 5 = 0.300, Contrast = 0.885, Connect. = 0.774 for dens.mod. cycle 6 = 0.300, Contrast = 0.886, Connect. = 0.774 for dens.mod. cycle 7 = 0.300, Contrast = 0.883, Connect. = 0.775 for dens.mod. cycle 8 = 0.300, Contrast = 0.882, Connect. = 0.774 for dens.mod. cycle 9 = 0.300, Contrast = 0.879, Connect. = 0.775 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2868 peaks > 0.5 sigma used to seed fragment search Space for about 1576 unique residues taking solvent into account 668 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 24.350 1.953 0.534 0.913 1.000 0.850 CB 1.286 B: 19 18.372 2.032 0.884 0.912 1.000 0.833 CB 0.801 C: 16 21.399 2.066 0.645 0.906 1.000 0.933 CB 1.157 19 residues pruned to eliminate duplicates D: 18 26.954 2.085 0.664 0.870 0.941 0.647 CB 1.461 E: 20 24.296 1.896 0.914 0.898 0.895 0.368 CB 1.228 F: 23 25.506 1.906 0.819 0.878 1.000 0.545 CB 1.138 G: 20 20.547 2.019 0.747 0.898 0.895 0.526 CB 1.069 20 residues pruned to eliminate duplicates H: 19 19.332 2.010 0.790 0.947 1.000 0.778 CB 0.876 I: 16 15.648 1.945 0.538 0.893 1.000 0.933 CB 0.969 J: 15 23.461 1.941 0.643 0.896 1.000 0.786 CB 1.408 K: 21 20.739 1.896 0.323 0.872 0.950 0.850 CB 1.419 19 residues pruned to eliminate duplicates L: 20 20.864 1.938 0.577 0.899 0.947 0.632 CB 1.182 M: 20 22.258 1.940 0.687 0.926 0.947 0.842 CB 1.155 21 residues pruned to eliminate duplicates N: 14 16.597 1.832 0.659 0.783 0.923 0.769 CB 1.279 O: 18 21.371 2.036 0.896 0.920 1.000 0.882 CB 0.945 19 residues pruned to eliminate duplicates P: 17 21.067 1.941 0.398 0.918 1.000 0.875 CB 1.369 15 residues pruned to eliminate duplicates Q: 17 25.708 1.996 0.659 0.931 1.000 0.938 CB 1.357 16 residues pruned to eliminate duplicates R: 19 22.275 1.917 0.519 0.847 1.000 0.778 CB 1.338 S: 18 24.640 1.965 0.636 0.900 0.941 0.824 CB 1.411 18 residues pruned to eliminate duplicates T: 20 18.379 1.915 0.758 0.884 1.000 0.842 CB 0.905 19 residues pruned to eliminate duplicates U: 17 22.403 1.983 0.476 0.929 1.000 0.938 CB 1.340 17 residues pruned to eliminate duplicates V: 19 26.299 2.015 0.735 0.914 0.944 0.944 CB 1.327 W: 22 23.434 1.947 0.504 0.883 0.952 0.714 CB 1.326 22 residues pruned to eliminate duplicates X: 24 23.424 1.966 0.548 0.911 0.957 0.826 CB 1.189 Y: 15 18.195 1.813 0.678 0.897 1.000 0.786 CB 1.145 Z: 21 21.572 1.907 0.978 0.901 1.000 0.650 CB 0.912 19 residues pruned to eliminate duplicates Z: 22 25.279 1.921 0.582 0.910 1.000 0.857 CB 1.288 22 residues pruned to eliminate duplicates Z: 24 23.107 1.795 0.685 0.850 0.913 0.609 CB 1.292 Z: 18 25.169 1.930 0.673 0.904 1.000 0.882 CB 1.347 18 residues pruned to eliminate duplicates Z: 23 20.069 1.898 0.468 0.843 0.955 0.727 CB 1.198 23 residues pruned to eliminate duplicates Z: 18 27.379 1.995 0.699 0.898 1.000 0.824 CB 1.401 19 residues pruned to eliminate duplicates Z: 20 16.074 1.823 0.599 0.877 0.895 0.842 CB 1.027 Z: 19 23.299 1.893 0.728 0.925 1.000 0.889 CB 1.178 Z: 20 24.538 1.882 0.694 0.896 0.947 0.737 CB 1.335 20 residues pruned to eliminate duplicates Z: 16 12.852 1.834 0.408 0.919 0.867 0.733 CB 1.045 Z: 23 22.948 1.861 0.733 0.829 0.864 0.727 CB 1.322 21 residues pruned to eliminate duplicates Z: 19 31.423 1.940 0.801 0.893 1.000 0.722 CB 1.522 19 residues pruned to eliminate duplicates Z: 13 14.936 1.898 0.616 0.840 0.917 0.667 CB 1.144 Z: 24 25.413 1.964 0.605 0.907 1.000 0.826 CB 1.194 24 residues pruned to eliminate duplicates Z: 18 20.051 1.881 0.854 0.888 0.941 0.882 CB 1.067 Z: 15 21.674 1.991 0.682 0.901 1.000 1.000 CB 1.235 15 residues pruned to eliminate duplicates Z: 18 22.192 1.926 0.529 0.891 0.941 0.882 CB 1.396 Z: 15 21.766 1.758 0.570 0.875 1.000 0.714 CB 1.533 14 residues pruned to eliminate duplicates Z: 18 15.546 1.832 1.040 0.926 1.000 0.824 CB 0.708 Z: 25 20.233 1.866 0.598 0.878 0.958 0.792 CB 1.049 25 residues pruned to eliminate duplicates Z: 11 15.401 1.944 0.575 0.927 1.000 0.900 CB 1.114 Z: 18 31.211 2.030 0.974 0.923 0.941 0.882 CB 1.411 18 residues pruned to eliminate duplicates Z: 63 28.258 1.906 0.574 0.682 0.887 0.629 CB 1.141 41 residues pruned to eliminate duplicates Z: 20 21.993 1.891 0.740 0.897 0.947 0.579 CB 1.158 19 residues pruned to eliminate duplicates Z: 21 21.043 1.901 0.883 0.887 1.000 0.850 CB 0.948 20 residues pruned to eliminate duplicates Z: 16 24.492 2.018 0.852 0.891 1.000 0.667 CB 1.217 16 residues pruned to eliminate duplicates Z: 19 23.838 1.954 0.679 0.923 0.944 0.833 CB 1.275 19 residues pruned to eliminate duplicates Z: 16 18.631 1.909 0.923 0.938 1.000 0.933 CB 0.912 Z: 17 24.568 2.057 0.968 0.922 0.938 0.625 CB 1.138 18 residues pruned to eliminate duplicates Z: 21 22.758 1.807 0.759 0.779 1.000 0.600 CB 1.251 13 residues pruned to eliminate duplicates Z: 20 25.035 1.937 0.683 0.891 1.000 0.789 CB 1.266 19 residues pruned to eliminate duplicates Z: 18 26.891 1.939 0.633 0.930 1.000 0.941 CB 1.441 Z: 24 25.558 1.961 0.616 0.912 1.000 0.826 CB 1.191 24 residues pruned to eliminate duplicates Z: 12 16.139 1.927 0.893 0.778 0.818 0.727 CB 1.276 12 residues pruned to eliminate duplicates Z: 16 21.019 1.847 0.476 0.938 1.000 0.933 CB 1.385 16 residues pruned to eliminate duplicates Z: 16 30.382 2.031 0.770 0.915 1.000 0.800 CB 1.543 16 residues pruned to eliminate duplicates Z: 19 22.188 1.850 0.698 0.907 1.000 0.778 CB 1.183 Z: 25 22.574 1.921 0.754 0.858 0.958 0.500 CB 1.050 12 residues pruned to eliminate duplicates Z: 17 19.134 1.966 0.267 0.880 1.000 0.812 CB 1.391 17 residues pruned to eliminate duplicates Z: 16 14.640 1.768 0.682 0.924 1.000 0.933 CB 0.893 Z: 21 22.313 1.869 0.677 0.913 0.950 0.950 CB 1.185 19 residues pruned to eliminate duplicates Z: 14 17.953 1.835 0.660 0.861 0.923 0.846 CB 1.302 Z: 26 25.717 1.892 0.612 0.889 1.000 0.680 CB 1.214 24 residues pruned to eliminate duplicates Z: 20 23.785 1.945 0.913 0.887 0.842 0.579 CB 1.256 20 residues pruned to eliminate duplicates Z: 17 18.747 1.875 0.351 0.848 1.000 0.750 CB 1.373 17 residues pruned to eliminate duplicates Z: 23 20.102 1.825 0.667 0.887 1.000 0.773 CB 1.016 23 residues pruned to eliminate duplicates Z: 25 21.935 1.916 0.784 0.877 0.958 0.792 CB 0.993 25 residues pruned to eliminate duplicates Z: 18 21.200 1.865 0.432 0.898 1.000 0.824 CB 1.376 18 residues pruned to eliminate duplicates Z: 20 32.145 1.916 1.112 0.894 1.000 0.526 CB 1.308 19 residues pruned to eliminate duplicates Z: 18 19.731 1.835 0.629 0.928 1.000 0.941 CB 1.121 19 residues pruned to eliminate duplicates Z: 17 20.951 1.860 0.723 0.891 0.938 0.875 CB 1.253 17 residues pruned to eliminate duplicates Z: 26 30.042 1.858 0.910 0.927 1.000 0.800 CB 1.187 26 residues pruned to eliminate duplicates Z: 18 25.687 1.970 0.654 0.909 1.000 0.824 CB 1.357 18 residues pruned to eliminate duplicates Z: 19 20.366 1.863 0.575 0.892 1.000 0.889 CB 1.175 20 residues pruned to eliminate duplicates Z: 8 9.189 1.936 0.692 0.845 0.857 0.571 CB 0.920 8 residues pruned to eliminate duplicates Z: 10 5.522 1.492 0.408 0.583 0.778 0.444 N 1.041 Z: 16 30.318 2.049 0.775 0.930 1.000 0.933 CB 1.506 Z: 18 26.874 2.052 0.722 0.843 0.941 0.588 CB 1.459 18 residues pruned to eliminate duplicates Z: 23 23.549 1.933 0.488 0.902 1.000 1.000 CB 1.244 23 residues pruned to eliminate duplicates Z: 8 17.670 2.055 0.463 0.852 1.000 1.000 O 1.643 8 residues pruned to eliminate duplicates Z: 24 25.077 1.979 0.693 0.919 0.957 0.913 CB 1.150 25 residues pruned to eliminate duplicates Z: 21 19.878 1.888 0.392 0.931 1.000 0.950 CB 1.182 21 residues pruned to eliminate duplicates Z: 18 24.762 1.962 0.750 0.895 1.000 0.706 CB 1.254 18 residues pruned to eliminate duplicates Z: 17 20.163 1.862 0.851 0.896 0.875 0.562 CB 1.197 17 residues pruned to eliminate duplicates Z: 19 17.690 1.799 0.676 0.817 0.778 0.556 CB 1.351 Z: 21 24.729 1.916 0.760 0.909 0.950 0.700 CB 1.225 20 residues pruned to eliminate duplicates Z: 22 16.668 1.811 0.373 0.717 0.905 0.619 CB 1.329 22 residues pruned to eliminate duplicates Z: 16 18.012 1.870 0.782 0.799 0.867 0.667 CB 1.240 16 residues pruned to eliminate duplicates Z: 20 14.179 1.883 0.425 0.809 0.895 0.737 CB 1.035 20 residues pruned to eliminate duplicates Z: 18 20.111 1.842 0.341 0.899 1.000 0.647 CB 1.411 19 residues pruned to eliminate duplicates Z: 18 23.034 1.920 0.534 0.922 1.000 0.941 CB 1.334 18 residues pruned to eliminate duplicates Z: 18 18.885 1.951 0.484 0.905 1.000 0.824 CB 1.126 18 residues pruned to eliminate duplicates Z: 15 26.014 1.911 0.712 0.896 1.000 1.000 CB 1.522 15 residues pruned to eliminate duplicates Z: 13 18.165 1.834 0.648 0.837 1.000 0.667 CB 1.297 13 residues pruned to eliminate duplicates Z: 18 19.887 1.882 0.438 0.895 0.941 0.941 CB 1.358 18 residues pruned to eliminate duplicates Z: 18 21.513 2.007 0.467 0.920 1.000 0.765 CB 1.248 18 residues pruned to eliminate duplicates Z: 20 25.018 1.957 0.648 0.923 1.000 0.842 CB 1.250 20 residues pruned to eliminate duplicates Z: 29 22.625 1.792 0.650 0.881 0.964 0.786 CB 1.086 29 residues pruned to eliminate duplicates Z: 17 23.773 1.809 0.719 0.837 1.000 0.812 CB 1.429 17 residues pruned to eliminate duplicates Z: 13 18.187 1.910 0.565 0.881 0.917 0.833 CB 1.388 13 residues pruned to eliminate duplicates Z: 21 18.233 1.903 0.645 0.916 1.000 0.850 CB 0.920 18 residues pruned to eliminate duplicates Z: 18 23.197 1.967 0.812 0.920 1.000 0.765 CB 1.112 19 residues pruned to eliminate duplicates Z: 21 23.167 1.888 0.872 0.847 0.900 0.800 CB 1.209 21 residues pruned to eliminate duplicates Z: 20 23.164 1.890 0.511 0.918 1.000 0.842 CB 1.312 19 residues pruned to eliminate duplicates Z: 18 25.163 1.817 0.603 0.891 1.000 0.824 O 1.507 17 residues pruned to eliminate duplicates Z: 18 22.804 1.901 0.550 0.892 1.000 0.882 CB 1.348 18 residues pruned to eliminate duplicates Z: 18 27.520 2.045 0.476 0.904 1.000 0.765 CB 1.576 18 residues pruned to eliminate duplicates Z: 9 7.643 1.714 0.512 0.875 0.875 0.750 CB 0.867 Z: 19 16.976 1.691 0.637 0.800 1.000 0.722 CB 1.112 15 residues pruned to eliminate duplicates Z: 23 25.141 1.808 0.796 0.887 1.000 0.864 CB 1.190 23 residues pruned to eliminate duplicates Z: 13 20.215 2.067 0.668 0.909 1.000 0.750 CB 1.201 13 residues pruned to eliminate duplicates Z: 17 16.656 1.900 0.196 0.847 0.938 0.750 CB 1.451 17 residues pruned to eliminate duplicates Z: 15 22.510 2.050 0.542 0.877 1.000 0.786 CB 1.382 15 residues pruned to eliminate duplicates Z: 17 13.344 1.779 0.330 0.905 1.000 0.812 CB 1.003 14 residues pruned to eliminate duplicates Z: 17 20.392 1.649 0.638 0.891 1.000 0.875 CB 1.356 Z: 17 16.647 1.885 0.510 0.909 0.938 0.812 CB 1.107 17 residues pruned to eliminate duplicates Z: 15 14.741 1.734 0.804 0.915 1.000 0.929 CB 0.890 16 residues pruned to eliminate duplicates Z: 25 28.280 1.910 0.847 0.924 0.958 0.875 CB 1.199 25 residues pruned to eliminate duplicates Z: 12 14.938 1.965 0.293 0.865 1.000 0.818 CB 1.299 12 residues pruned to eliminate duplicates Z: 17 20.064 1.811 0.514 0.921 1.000 0.938 CB 1.288 17 residues pruned to eliminate duplicates Z: 19 26.356 1.964 0.765 0.829 1.000 0.667 CB 1.348 19 residues pruned to eliminate duplicates Z: 15 23.518 1.931 0.578 0.887 1.000 0.857 CB 1.487 15 residues pruned to eliminate duplicates Z: 22 26.791 1.926 0.604 0.941 1.000 0.905 CB 1.312 23 residues pruned to eliminate duplicates Z: 14 12.608 1.812 0.386 0.804 0.846 0.846 CB 1.262 14 residues pruned to eliminate duplicates Z: 19 20.872 1.839 0.637 0.829 0.889 0.667 CB 1.383 19 residues pruned to eliminate duplicates Z: 18 26.061 1.993 0.680 0.853 0.941 0.765 CB 1.483 18 residues pruned to eliminate duplicates Z: 24 25.167 1.948 0.785 0.923 0.870 0.696 CB 1.220 24 residues pruned to eliminate duplicates Z: 20 21.462 2.019 0.499 0.921 0.947 0.895 CB 1.208 20 residues pruned to eliminate duplicates Z: 24 20.487 1.817 0.378 0.915 1.000 0.957 CB 1.205 24 residues pruned to eliminate duplicates Z: 19 18.606 1.935 0.416 0.876 1.000 0.944 CB 1.163 19 residues pruned to eliminate duplicates Z: 19 27.318 1.997 0.781 0.903 1.000 0.833 CB 1.290 19 residues pruned to eliminate duplicates Z: 21 23.958 1.972 0.593 0.917 1.000 0.900 CB 1.203 21 residues pruned to eliminate duplicates Z: 21 30.091 1.944 0.877 0.900 1.000 0.750 CB 1.316 21 residues pruned to eliminate duplicates Z: 17 18.112 1.785 0.749 0.849 0.875 0.562 CB 1.229 Z: 24 22.534 1.951 0.519 0.913 1.000 0.826 CB 1.122 24 residues pruned to eliminate duplicates Z: 22 22.848 1.884 0.493 0.915 0.952 0.810 CB 1.315 22 residues pruned to eliminate duplicates Z: 15 22.000 2.042 0.357 0.870 1.000 0.857 CB 1.549 15 residues pruned to eliminate duplicates Z: 20 24.835 1.914 0.657 0.795 1.000 0.684 CB 1.388 20 residues pruned to eliminate duplicates Z: 10 9.300 1.782 0.427 0.725 0.778 0.667 CB 1.280 10 residues pruned to eliminate duplicates Z: 22 27.359 1.885 0.738 0.937 1.000 0.905 CB 1.269 22 residues pruned to eliminate duplicates Z: 18 16.755 1.838 1.035 0.934 1.000 0.765 CB 0.758 Z: 17 18.253 1.560 0.780 0.845 1.000 0.750 CB 1.221 16 residues pruned to eliminate duplicates Z: 19 17.868 1.792 0.684 0.856 0.889 0.667 CB 1.158 16 residues pruned to eliminate duplicates Z: 17 19.237 1.878 0.435 0.893 1.000 0.875 CB 1.281 17 residues pruned to eliminate duplicates Z: 19 22.917 1.822 1.073 0.837 0.833 0.222 CB 1.284 19 residues pruned to eliminate duplicates Z: 11 10.516 1.784 0.935 0.861 1.000 0.700 CB 0.708 11 residues pruned to eliminate duplicates Z: 20 20.523 1.887 0.651 0.902 0.895 0.737 CB 1.205 20 residues pruned to eliminate duplicates Z: 19 20.965 1.828 0.601 0.924 1.000 0.778 CB 1.185 19 residues pruned to eliminate duplicates Z: 9 8.103 1.676 0.415 0.845 0.875 0.875 O 1.026 Z: 8 8.137 1.938 0.496 0.872 1.000 0.714 CB 0.773 Z: 13 15.014 1.689 0.597 0.871 0.917 0.750 CB 1.279 13 residues pruned to eliminate duplicates Z: 8 6.190 1.506 0.293 0.873 1.000 1.000 CB 0.875 7 1.443 1.762 -0.070 0.343 0.667 0.333 CB 0.640 ? Z: 21 26.263 1.939 0.839 0.913 1.000 0.850 CB 1.165 21 residues pruned to eliminate duplicates Z: 19 19.710 1.837 0.504 0.895 1.000 0.889 CB 1.206 19 residues pruned to eliminate duplicates Z: 22 23.884 1.796 0.945 0.841 0.905 0.810 CB 1.230 22 residues pruned to eliminate duplicates Z: 18 19.428 1.916 0.648 0.906 1.000 0.882 CB 1.061 18 residues pruned to eliminate duplicates Z: 14 17.912 1.829 0.536 0.822 1.000 0.846 CB 1.338 14 residues pruned to eliminate duplicates Z: 18 12.262 1.524 0.583 0.862 1.000 0.647 CB 0.906 9 residues pruned to eliminate duplicates Z: 12 14.507 1.675 0.708 0.865 0.818 0.818 O 1.369 12 residues pruned to eliminate duplicates Z: 20 21.974 1.926 0.645 0.880 0.947 0.789 CB 1.217 20 residues pruned to eliminate duplicates Z: 17 27.381 1.990 0.903 0.908 1.000 0.750 CB 1.284 17 residues pruned to eliminate duplicates Z: 17 15.040 1.728 0.534 0.843 1.000 0.688 CB 1.056 7 residues pruned to eliminate duplicates Z: 21 26.350 1.946 0.837 0.921 0.950 0.800 CB 1.221 21 residues pruned to eliminate duplicates Z: 23 23.951 1.969 0.530 0.900 1.000 0.955 CB 1.210 23 residues pruned to eliminate duplicates Z: 15 29.194 2.026 0.844 0.921 1.000 1.000 CB 1.470 15 residues pruned to eliminate duplicates Z: 14 27.901 1.975 0.876 0.909 1.000 0.769 CB 1.482 14 residues pruned to eliminate duplicates Z: 18 24.408 2.016 0.719 0.930 0.941 0.882 CB 1.269 18 residues pruned to eliminate duplicates Z: 20 12.626 1.852 0.283 0.822 0.895 0.737 CB 1.030 20 residues pruned to eliminate duplicates Z: 14 17.734 1.857 0.636 0.923 1.000 0.846 CB 1.138 14 residues pruned to eliminate duplicates Z: 14 12.516 1.725 0.502 0.901 1.000 0.846 CB 0.956 Z: 23 14.503 1.638 0.506 0.687 0.909 0.591 CB 1.161 20 residues pruned to eliminate duplicates Z: 18 24.913 1.912 0.921 0.916 0.941 0.765 CB 1.234 17 residues pruned to eliminate duplicates Z: 24 28.539 1.965 0.837 0.914 0.957 0.957 CB 1.219 24 residues pruned to eliminate duplicates Z: 22 16.474 1.905 0.878 0.645 0.857 0.571 CB 1.024 22 residues pruned to eliminate duplicates Z: 20 23.131 1.855 0.714 0.841 0.895 0.579 CB 1.392 20 residues pruned to eliminate duplicates Z: 15 3.460 1.589 0.462 0.246 0.714 0.357 CB 0.747 Z: 17 12.739 1.733 0.510 0.826 0.938 0.875 CB 0.979 15 residues pruned to eliminate duplicates Z: 18 24.979 2.021 0.410 0.873 1.000 0.765 CB 1.548 18 residues pruned to eliminate duplicates Z: 9 12.250 1.852 0.578 0.802 1.000 0.875 CB 1.138 7 residues pruned to eliminate duplicates Z: 14 18.727 1.850 0.711 0.914 1.000 0.846 CB 1.160 12 residues pruned to eliminate duplicates Z: 7 5.651 1.537 0.434 0.827 0.833 0.500 CB 0.947 7 residues pruned to eliminate duplicates Z: 18 25.969 1.984 0.621 0.917 1.000 0.824 CB 1.382 20 residues pruned to eliminate duplicates Z: 21 21.008 1.939 0.445 0.911 1.000 0.850 CB 1.188 19 residues pruned to eliminate duplicates Z: 21 17.710 1.903 1.056 0.730 0.850 0.650 CB 0.968 21 residues pruned to eliminate duplicates Z: 19 22.052 1.819 0.763 0.799 1.000 0.556 CB 1.247 19 residues pruned to eliminate duplicates Z: 18 19.564 1.764 0.679 0.897 1.000 0.765 CB 1.147 9 residues pruned to eliminate duplicates Z: 19 21.876 1.926 0.634 0.818 0.889 0.778 CB 1.399 19 residues pruned to eliminate duplicates Z: 7 8.846 1.573 0.911 0.888 1.000 0.833 CB 0.865 7 residues pruned to eliminate duplicates Z: 25 18.186 1.913 0.377 0.911 0.958 0.875 CB 1.042 25 residues pruned to eliminate duplicates Z: 7 7.009 1.787 1.044 0.811 1.000 0.500 CB 0.597 Z: 20 17.899 1.793 0.817 0.928 1.000 0.947 CB 0.883 18 residues pruned to eliminate duplicates Z: 19 16.561 1.857 0.462 0.865 0.944 0.833 CB 1.115 19 residues pruned to eliminate duplicates Z: 21 22.800 1.935 0.791 0.891 0.900 0.750 CB 1.175 21 residues pruned to eliminate duplicates Z: 18 22.853 1.872 0.617 0.944 1.000 0.882 CB 1.268 18 residues pruned to eliminate duplicates Z: 20 27.894 1.971 0.524 0.887 0.947 0.842 CB 1.621 19 residues pruned to eliminate duplicates Z: 12 9.749 1.752 0.840 0.723 0.909 0.545 CB 0.821 7 residues pruned to eliminate duplicates Z: 16 15.396 1.795 0.439 0.894 1.000 0.933 CB 1.104 17 residues pruned to eliminate duplicates Z: 7 8.007 1.812 0.736 0.874 1.000 0.833 CB 0.756 7 residues pruned to eliminate duplicates Z: 19 24.113 1.885 0.631 0.886 1.000 0.833 CB 1.334 19 residues pruned to eliminate duplicates Z: 14 16.305 1.682 0.735 0.866 1.000 0.923 CB 1.134 14 residues pruned to eliminate duplicates Z: 13 14.878 1.861 1.108 0.809 0.833 0.333 CB 1.004 13 residues pruned to eliminate duplicates Z: 39 24.081 1.830 0.399 0.799 0.947 0.632 CB 1.240 39 residues pruned to eliminate duplicates Z: 13 13.176 1.935 0.278 0.661 0.917 0.667 CB 1.445 13 residues pruned to eliminate duplicates Z: 12 15.835 1.881 0.364 0.923 1.000 1.000 CB 1.308 12 residues pruned to eliminate duplicates Z: 15 11.978 1.598 0.346 0.824 1.000 0.786 CB 1.124 Z: 16 16.055 1.744 0.603 0.915 0.933 0.933 CB 1.123 18 residues pruned to eliminate duplicates Z: 16 26.525 1.911 0.600 0.913 1.000 0.933 CB 1.585 16 residues pruned to eliminate duplicates Z: 17 23.524 1.867 0.475 0.867 1.000 0.625 CB 1.562 17 residues pruned to eliminate duplicates Z: 24 21.903 1.984 0.533 0.894 0.957 0.739 CB 1.126 24 residues pruned to eliminate duplicates Z: 12 12.188 1.717 0.476 0.906 1.000 0.909 CB 1.032 12 residues pruned to eliminate duplicates Z: 20 21.554 1.919 0.767 0.904 0.895 0.684 CB 1.160 21 residues pruned to eliminate duplicates Z: 16 16.603 1.845 1.045 0.864 0.867 0.533 CB 0.961 16 residues pruned to eliminate duplicates Z: 16 9.569 1.649 0.463 0.827 0.867 0.800 CB 0.891 16 residues pruned to eliminate duplicates Z: 23 16.648 1.691 0.556 0.815 0.909 0.682 CB 1.128 22 residues pruned to eliminate duplicates Z: 20 21.010 1.914 0.687 0.852 0.895 0.789 CB 1.234 20 residues pruned to eliminate duplicates Z: 16 12.507 1.751 0.173 0.878 0.933 0.800 CB 1.222 16 residues pruned to eliminate duplicates Z: 9 4.091 1.753 0.909 0.869 0.875 0.625 CB 0.361 Z: 11 14.860 1.844 0.264 0.790 1.000 0.800 CB 1.563 11 residues pruned to eliminate duplicates Z: 21 14.207 1.494 0.729 0.767 0.900 0.600 CB 1.078 18 residues pruned to eliminate duplicates Z: 10 8.716 1.871 0.212 0.874 0.889 0.889 CB 1.049 10 residues pruned to eliminate duplicates Z: 20 22.679 1.967 0.732 0.916 1.000 0.737 CB 1.078 20 residues pruned to eliminate duplicates Z: 20 15.998 1.785 0.405 0.909 0.947 0.895 CB 1.097 20 residues pruned to eliminate duplicates Z: 15 4.762 1.700 0.245 0.419 0.857 0.500 CB 0.763 Z: 10 20.321 1.776 0.988 0.909 1.000 1.000 CB 1.361 10 residues pruned to eliminate duplicates Z: 20 31.306 1.968 0.947 0.892 1.000 0.684 CB 1.346 19 residues pruned to eliminate duplicates Z: 17 22.608 1.901 0.779 0.853 0.938 0.875 CB 1.318 17 residues pruned to eliminate duplicates Z: 6 4.489 1.745 0.559 0.637 0.600 0.400 CB 1.082 Z: 12 17.045 1.991 0.504 0.905 0.909 0.727 CB 1.343 12 residues pruned to eliminate duplicates Z: 7 9.728 1.678 0.515 0.727 1.000 0.667 CB 1.273 7 residues pruned to eliminate duplicates Z: 20 23.044 1.928 0.604 0.883 0.947 0.842 CB 1.305 20 residues pruned to eliminate duplicates Z: 21 20.134 1.917 0.938 0.909 0.950 0.750 CB 0.906 22 residues pruned to eliminate duplicates Z: 19 19.990 1.804 0.743 0.828 0.889 0.667 CB 1.269 Z: 24 28.250 1.982 0.829 0.890 0.957 0.783 CB 1.222 24 residues pruned to eliminate duplicates Z: 20 18.522 1.848 0.632 0.928 0.947 0.842 CB 1.041 20 residues pruned to eliminate duplicates Z: 17 13.072 1.827 0.233 0.822 0.938 0.875 CB 1.170 17 residues pruned to eliminate duplicates Z: 21 27.221 1.950 0.762 0.895 0.950 0.850 CB 1.337 21 residues pruned to eliminate duplicates Z: 18 25.151 2.036 0.604 0.912 1.000 0.882 CB 1.322 18 residues pruned to eliminate duplicates Z: 19 11.362 1.658 0.826 0.797 0.833 0.667 CB 0.818 19 residues pruned to eliminate duplicates Z: 10 9.666 1.853 0.473 0.770 0.778 0.556 CB 1.195 10 residues pruned to eliminate duplicates Z: 16 16.507 1.729 0.654 0.853 1.000 0.600 CB 1.101 16 residues pruned to eliminate duplicates Z: 9 6.095 1.872 0.147 0.813 1.000 0.250 CB 0.764 Z: 12 5.514 1.675 0.697 0.850 0.909 0.818 CB 0.476 10 residues pruned to eliminate duplicates Z: 33 20.446 1.847 0.857 0.745 0.812 0.406 CB 1.042 32 residues pruned to eliminate duplicates Z: 18 29.523 1.879 1.005 0.907 1.000 0.529 CB 1.351 17 residues pruned to eliminate duplicates Z: 21 23.683 1.928 0.633 0.924 0.950 0.900 CB 1.244 21 residues pruned to eliminate duplicates Z: 20 20.890 2.016 0.511 0.906 1.000 0.737 CB 1.119 20 residues pruned to eliminate duplicates Z: 17 16.975 1.779 0.564 0.854 0.938 0.750 CB 1.202 17 residues pruned to eliminate duplicates Z: 18 14.072 1.808 0.267 0.870 1.000 0.824 CB 1.088 18 residues pruned to eliminate duplicates Z: 14 18.298 1.869 0.523 0.877 1.000 0.846 CB 1.295 14 residues pruned to eliminate duplicates Z: 8 2.456 1.727 -0.099 0.274 0.714 0.429 CB 1.080 Z: 15 13.351 1.729 0.419 0.878 0.857 0.571 CB 1.231 15 residues pruned to eliminate duplicates Z: 8 8.430 1.782 0.849 0.590 0.714 0.714 CB 1.242 8 residues pruned to eliminate duplicates Z: 17 19.254 1.789 0.527 0.910 1.000 0.875 CB 1.249 17 residues pruned to eliminate duplicates Z: 7 2.952 1.645 0.507 0.323 1.000 0.500 CB 0.590 Z: 18 19.979 1.777 0.711 0.896 0.941 0.588 CB 1.213 18 residues pruned to eliminate duplicates Z: 21 20.345 1.949 0.397 0.903 0.950 0.900 CB 1.253 21 residues pruned to eliminate duplicates Z: 20 23.342 2.041 0.521 0.928 0.947 0.947 CB 1.275 20 residues pruned to eliminate duplicates Z: 20 22.137 1.916 0.564 0.897 1.000 0.684 CB 1.213 20 residues pruned to eliminate duplicates Z: 10 10.968 1.702 0.447 0.840 1.000 0.667 CB 1.107 9 residues pruned to eliminate duplicates Z: 18 24.307 1.890 0.501 0.936 1.000 0.941 CB 1.448 18 residues pruned to eliminate duplicates Z: 19 13.707 1.838 0.580 0.897 1.000 0.722 CB 0.796 19 residues pruned to eliminate duplicates Z: 23 24.824 1.949 0.532 0.895 0.955 0.955 CB 1.331 23 residues pruned to eliminate duplicates Z: 17 21.143 2.122 0.483 0.920 0.938 0.938 CB 1.262 17 residues pruned to eliminate duplicates Z: 7 4.798 1.945 0.183 0.636 1.000 1.000 CB 0.749 Z: 15 16.023 1.904 0.342 0.788 0.857 0.857 CB 1.518 15 residues pruned to eliminate duplicates Z: 14 13.644 1.652 0.887 0.858 0.923 0.538 CB 0.968 14 residues pruned to eliminate duplicates Z: 7 3.707 1.704 0.786 0.248 0.667 0.333 CB 0.997 Z: 20 22.087 1.762 0.644 0.901 0.947 0.842 CB 1.318 20 residues pruned to eliminate duplicates Z: 18 25.058 1.994 0.481 0.913 1.000 1.000 CB 1.456 19 residues pruned to eliminate duplicates Z: 10 7.206 1.641 0.861 0.769 1.000 0.444 CB 0.619 8 residues pruned to eliminate duplicates Z: 13 16.349 1.676 0.663 0.858 0.917 0.833 CB 1.360 17 residues pruned to eliminate duplicates Z: 10 15.329 1.854 0.761 0.848 0.889 0.444 CB 1.306 10 residues pruned to eliminate duplicates Z: 35 17.373 1.874 0.589 0.575 0.765 0.441 CB 1.217 35 residues pruned to eliminate duplicates Z: 18 13.555 1.914 0.549 0.624 0.882 0.824 CB 1.119 18 residues pruned to eliminate duplicates Z: 50 27.096 1.911 0.466 0.656 0.980 0.653 CB 1.220 48 residues pruned to eliminate duplicates Z: 16 14.668 1.857 0.187 0.837 0.933 0.733 O 1.377 16 residues pruned to eliminate duplicates 6 1.398 1.669 0.821 0.749 0.800 0.800 CB 0.206 ? Z: 10 11.379 1.651 0.827 0.887 0.889 0.667 CB 1.020 8 residues pruned to eliminate duplicates Z: 11 11.344 1.691 0.361 0.924 1.000 0.800 CB 1.095 11 residues pruned to eliminate duplicates Z: 23 24.188 1.795 0.776 0.898 1.000 0.909 CB 1.158 23 residues pruned to eliminate duplicates Z: 12 10.359 1.959 0.974 0.919 1.000 0.909 CB 0.569 9 residues pruned to eliminate duplicates Z: 8 2.655 1.512 0.329 0.334 0.714 0.429 CB 0.839 Z: 30 22.570 1.970 0.961 0.625 0.862 0.483 CB 1.118 34 residues pruned to eliminate duplicates Z: 11 11.620 1.696 0.886 0.880 1.000 1.000 CB 0.833 11 residues pruned to eliminate duplicates Z: 20 24.387 1.978 0.674 0.913 1.000 0.737 CB 1.196 20 residues pruned to eliminate duplicates Z: 20 19.397 1.893 0.896 0.904 1.000 0.842 CB 0.883 19 residues pruned to eliminate duplicates Z: 11 6.886 1.563 0.637 0.465 0.800 0.400 CB 1.103 11 residues pruned to eliminate duplicates Z: 7 4.326 1.812 0.292 0.880 1.000 0.667 CB 0.547 Z: 18 14.394 1.884 0.286 0.829 0.882 0.765 CB 1.229 18 residues pruned to eliminate duplicates Z: 19 19.714 1.829 0.804 0.877 0.944 0.722 CB 1.082 19 residues pruned to eliminate duplicates Z: 12 11.052 1.711 0.170 0.936 1.000 1.000 CB 1.159 14 residues pruned to eliminate duplicates Z: 15 17.228 1.754 0.567 0.859 1.000 0.786 CB 1.233 15 residues pruned to eliminate duplicates Z: 14 5.667 1.686 0.508 0.478 0.846 0.462 CB 0.747 Z: 18 19.166 1.849 0.406 0.836 1.000 0.765 CB 1.338 18 residues pruned to eliminate duplicates Z: 11 7.975 1.709 0.358 0.592 0.900 0.600 CB 1.105 11 residues pruned to eliminate duplicates Z: 17 13.301 1.757 0.383 0.794 0.812 0.625 CB 1.302 17 residues pruned to eliminate duplicates Z: 10 7.261 1.702 0.438 0.759 1.000 0.444 CB 0.785 Z: 17 21.455 1.914 0.477 0.846 1.000 0.750 CB 1.409 17 residues pruned to eliminate duplicates Z: 18 26.285 1.950 1.086 0.951 1.000 0.941 CB 1.081 19 residues pruned to eliminate duplicates Z: 13 12.644 1.746 0.661 0.758 0.917 0.667 CB 1.091 Z: 8 3.712 1.872 0.587 0.866 0.857 0.714 CB 0.403 4 residues pruned to eliminate duplicates Z: 13 18.865 1.803 0.689 0.909 1.000 0.583 CB 1.269 13 residues pruned to eliminate duplicates Z: 17 18.490 1.844 0.658 0.842 0.875 0.438 CB 1.287 18 residues pruned to eliminate duplicates Z: 17 19.315 1.783 0.747 0.898 0.938 0.688 CB 1.183 17 residues pruned to eliminate duplicates Z: 6 3.751 1.698 0.712 0.265 0.600 0.400 N 1.257 Z: 9 4.708 1.645 0.132 0.483 0.875 0.500 CB 1.040 Z: 6 2.090 1.394 0.596 0.295 0.600 0.400 N 0.881 Z: 20 21.156 1.973 0.469 0.906 1.000 0.789 CB 1.191 21 residues pruned to eliminate duplicates Z: 21 19.974 1.823 0.477 0.739 1.000 0.500 CB 1.338 21 residues pruned to eliminate duplicates Z: 6 3.618 1.684 0.578 0.464 0.600 0.400 CB 1.053 6 1.449 1.126 0.148 0.458 0.800 0.600 CB 0.654 ? Z: 6 4.927 1.646 0.087 0.876 0.800 0.800 CB 1.118 Z: 18 17.017 1.888 0.564 0.923 0.941 0.941 CB 1.044 18 residues pruned to eliminate duplicates Z: 24 18.049 1.824 0.826 0.765 0.913 0.652 CB 0.979 24 residues pruned to eliminate duplicates Z: 19 13.913 1.830 0.734 0.912 1.000 0.722 CB 0.732 18 residues pruned to eliminate duplicates Z: 19 16.469 1.747 0.507 0.922 1.000 0.778 CB 1.037 19 residues pruned to eliminate duplicates Z: 6 4.550 1.445 0.852 0.734 1.000 0.600 CB 0.616 Z: 6 3.840 1.518 0.658 0.779 0.600 0.400 CB 0.889 6 residues pruned to eliminate duplicates Z: 9 9.251 1.760 0.466 0.869 1.000 0.750 CB 0.926 11 residues pruned to eliminate duplicates 6 1.519 1.699 0.881 0.573 0.800 0.400 CB 0.248 ? Z: 13 4.401 1.648 0.463 0.230 0.750 0.333 CB 0.963 Z: 8 4.199 1.528 0.187 0.836 0.714 0.714 CB 0.917 7 residues pruned to eliminate duplicates Z: 16 18.099 1.813 0.688 0.900 1.000 0.667 CB 1.091 16 residues pruned to eliminate duplicates Z: 15 14.215 1.840 0.369 0.760 0.857 0.714 CB 1.397 15 residues pruned to eliminate duplicates Z: 36 20.343 1.814 0.478 0.613 0.914 0.571 CB 1.260 31 residues pruned to eliminate duplicates Z: 16 13.264 1.601 0.744 0.922 0.933 0.800 CB 0.924 18 residues pruned to eliminate duplicates Z: 22 21.664 1.892 0.599 0.916 0.905 0.667 CB 1.221 22 residues pruned to eliminate duplicates Z: 22 25.101 1.895 0.939 0.902 0.952 0.476 CB 1.117 22 residues pruned to eliminate duplicates Z: 16 26.529 1.983 0.796 0.890 1.000 0.800 CB 1.383 21 residues pruned to eliminate duplicates Z: 7 4.043 1.811 0.536 0.711 0.833 0.667 CB 0.588 7 residues pruned to eliminate duplicates Z: 9 3.375 1.528 0.122 0.308 0.750 0.625 CB 1.149 Z: 9 2.407 1.530 0.630 0.062 0.625 0.250 CB 0.971 8 residues pruned to eliminate duplicates Z: 15 10.555 1.762 0.415 0.733 0.786 0.643 CB 1.168 15 residues pruned to eliminate duplicates Z: 21 28.037 1.936 0.756 0.901 1.000 0.800 CB 1.316 21 residues pruned to eliminate duplicates Z: 16 20.087 2.023 0.594 0.898 1.000 0.733 CB 1.150 16 residues pruned to eliminate duplicates Z: 15 15.629 1.955 0.286 0.862 1.000 0.857 CB 1.220 15 residues pruned to eliminate duplicates Z: 6 3.225 1.387 0.392 0.517 0.800 0.600 CB 0.918 Z: 18 20.654 1.842 0.785 0.904 1.000 0.706 CB 1.085 18 residues pruned to eliminate duplicates Z: 9 4.113 1.561 0.620 0.265 0.875 0.375 CB 0.859 Z: 19 13.722 1.688 0.420 0.846 1.000 0.778 CB 1.003 19 residues pruned to eliminate duplicates Z: 15 21.853 1.994 1.001 0.938 1.000 0.929 CB 1.018 14 residues pruned to eliminate duplicates Z: 18 28.872 2.055 0.950 0.932 0.941 0.882 CB 1.296 19 residues pruned to eliminate duplicates Z: 16 12.844 1.580 0.701 0.819 0.933 0.800 CB 1.003 15 residues pruned to eliminate duplicates Z: 21 22.090 1.865 0.530 0.890 1.000 0.650 CB 1.245 16 residues pruned to eliminate duplicates Z: 15 19.384 1.886 0.679 0.847 1.000 0.786 CB 1.214 15 residues pruned to eliminate duplicates Z: 10 13.422 1.796 0.542 0.890 1.000 1.000 CB 1.163 10 residues pruned to eliminate duplicates Z: 16 18.072 1.788 0.657 0.891 1.000 0.733 CB 1.132 16 residues pruned to eliminate duplicates Z: 18 19.116 1.896 0.786 0.923 0.941 0.706 CB 1.023 17 residues pruned to eliminate duplicates Z: 7 10.088 1.696 0.709 0.645 1.000 0.167 CB 1.240 Z: 14 16.981 1.783 0.609 0.842 1.000 0.769 CB 1.223 14 residues pruned to eliminate duplicates Z: 28 21.197 1.884 0.486 0.759 0.963 0.778 CB 1.202 28 residues pruned to eliminate duplicates Z: 24 22.611 1.919 0.609 0.883 1.000 0.870 CB 1.104 24 residues pruned to eliminate duplicates Z: 23 12.417 1.817 0.472 0.537 0.818 0.545 CB 1.167 23 residues pruned to eliminate duplicates Z: 11 8.749 1.850 0.145 0.899 1.000 0.900 CB 0.934 11 residues pruned to eliminate duplicates Z: 8 4.864 1.482 0.511 0.641 0.714 0.429 N 1.007 5 residues pruned to eliminate duplicates Z: 17 13.469 1.577 0.590 0.781 0.812 0.688 CB 1.290 17 residues pruned to eliminate duplicates Z: 17 15.809 1.924 0.514 0.706 0.812 0.688 CB 1.385 23 residues pruned to eliminate duplicates Z: 20 17.297 2.030 0.299 0.929 0.947 0.895 CB 1.111 20 residues pruned to eliminate duplicates Z: 7 3.402 1.558 0.467 0.659 0.833 0.500 CB 0.629 Z: 18 21.142 1.748 0.832 0.897 0.941 0.824 CB 1.218 18 residues pruned to eliminate duplicates Z: 16 30.331 2.054 0.658 0.914 1.000 0.867 CB 1.627 16 residues pruned to eliminate duplicates Z: 7 2.336 1.850 0.946 0.839 1.000 0.833 CB 0.198 Z: 16 17.879 1.848 0.423 0.836 0.933 0.800 CB 1.408 16 residues pruned to eliminate duplicates Z: 22 31.332 1.868 0.965 0.922 1.000 0.905 CB 1.310 23 residues pruned to eliminate duplicates Z: 16 14.114 1.543 0.665 0.889 1.000 0.867 CB 1.021 17 residues pruned to eliminate duplicates Z: 19 25.945 1.763 0.845 0.909 1.000 0.722 CB 1.334 19 residues pruned to eliminate duplicates Z: 17 21.290 1.891 0.462 0.866 1.000 0.875 CB 1.410 17 residues pruned to eliminate duplicates Z: 10 4.343 1.464 0.219 0.793 1.000 0.778 CB 0.628 Z: 8 6.494 1.741 0.581 0.448 0.857 0.714 CB 1.097 Z: 9 6.217 1.529 0.614 0.731 0.750 0.375 CB 0.966 Z: 6 5.380 1.369 0.408 0.755 1.000 0.800 N 0.994 Z: 12 4.327 1.569 0.434 0.347 0.818 0.455 CB 0.837 Z: 8 6.734 1.870 0.107 0.598 1.000 0.714 CB 1.119 8 residues pruned to eliminate duplicates 6 1.915 1.920 0.496 0.848 1.000 0.800 CB 0.221 ? Z: 18 21.468 1.769 0.863 0.910 1.000 0.882 CB 1.120 19 residues pruned to eliminate duplicates Z: 20 19.092 1.960 0.411 0.886 1.000 0.789 CB 1.143 20 residues pruned to eliminate duplicates Z: 9 2.852 1.536 -0.082 0.321 0.875 0.500 CB 0.996 9 residues pruned to eliminate duplicates Z: 27 20.135 1.839 0.753 0.684 0.808 0.538 CB 1.281 27 residues pruned to eliminate duplicates Z: 23 12.867 1.663 0.586 0.589 0.864 0.591 CB 1.106 23 residues pruned to eliminate duplicates Z: 10 4.126 1.881 0.543 0.912 1.000 1.000 CB 0.336 Z: 20 18.597 1.763 0.692 0.847 0.842 0.737 CB 1.261 20 residues pruned to eliminate duplicates Z: 8 2.357 1.551 0.416 0.397 0.571 0.286 CB 0.792 8 residues pruned to eliminate duplicates Z: 9 13.423 2.080 0.535 0.774 0.750 0.500 CB 1.556 9 residues pruned to eliminate duplicates Z: 7 6.670 1.925 0.606 0.870 1.000 0.833 CB 0.643 Z: 19 20.808 2.052 0.617 0.925 1.000 0.889 CB 1.038 19 residues pruned to eliminate duplicates Z: 18 32.164 2.050 0.731 0.924 1.000 0.882 CB 1.544 17 residues pruned to eliminate duplicates Z: 21 17.357 1.923 0.627 0.887 0.950 0.850 CB 0.942 21 residues pruned to eliminate duplicates Z: 16 11.511 1.779 0.594 0.594 0.933 0.733 CB 1.027 16 residues pruned to eliminate duplicates Z: 17 22.194 1.927 0.636 0.884 0.938 0.500 CB 1.357 17 residues pruned to eliminate duplicates Z: 35 20.380 1.857 0.563 0.649 0.824 0.618 CB 1.272 31 residues pruned to eliminate duplicates Z: 7 3.950 1.532 0.183 0.494 0.833 0.667 O 1.073 Z: 12 22.638 2.069 0.542 0.869 1.000 0.727 CB 1.563 12 residues pruned to eliminate duplicates Z: 11 11.675 1.760 0.620 0.715 0.900 0.800 CB 1.184 11 residues pruned to eliminate duplicates Z: 9 6.345 1.746 0.165 0.676 0.875 0.625 CB 1.072 Z: 7 6.400 1.588 0.571 0.729 0.833 0.500 CB 1.023 7 residues pruned to eliminate duplicates Z: 23 20.493 1.805 0.700 0.840 1.000 0.591 CB 1.063 23 residues pruned to eliminate duplicates 6 1.545 1.662 -0.345 0.397 0.800 0.600 CB 0.884 ? Z: 11 8.474 1.777 0.749 0.781 0.700 0.500 CB 0.961 11 residues pruned to eliminate duplicates Z: 6 4.054 1.667 0.611 0.366 0.800 0.600 CB 0.975 Z: 16 7.540 1.646 0.417 0.702 0.933 0.733 CB 0.744 10 residues pruned to eliminate duplicates Z: 15 14.265 1.755 0.833 0.837 0.929 0.786 CB 0.955 25 residues pruned to eliminate duplicates Z: 17 17.060 1.833 0.366 0.853 1.000 0.938 CB 1.259 17 residues pruned to eliminate duplicates Z: 20 18.652 1.915 0.860 0.901 1.000 0.684 CB 0.858 20 residues pruned to eliminate duplicates Z: 10 5.962 1.519 0.249 0.820 0.889 0.667 CB 0.893 8 residues pruned to eliminate duplicates Z: 6 3.549 1.372 0.523 0.297 0.800 0.600 N 1.192 Z: 8 3.107 1.723 0.011 0.599 0.857 0.714 CB 0.716 8 residues pruned to eliminate duplicates 7 1.800 1.519 0.404 0.111 0.667 0.333 CB 0.845 ? Z: 16 14.027 1.862 0.438 0.851 0.867 0.667 CB 1.155 16 residues pruned to eliminate duplicates Z: 9 2.752 1.518 0.360 0.335 0.500 0.500 N 1.130 Z: 8 6.851 1.595 0.361 0.871 1.000 0.857 CB 0.870 8 residues pruned to eliminate duplicates Z: 11 11.328 1.805 0.161 0.612 1.000 0.600 CB 1.536 11 residues pruned to eliminate duplicates Z: 16 20.053 1.944 0.569 0.874 0.933 0.733 CB 1.323 16 residues pruned to eliminate duplicates Z: 11 9.174 1.842 0.355 0.690 1.000 0.700 CB 0.977 11 residues pruned to eliminate duplicates Z: 6 3.322 1.549 0.832 0.352 0.600 0.400 CB 1.024 Z: 21 10.516 1.699 0.453 0.550 0.850 0.500 CB 1.067 21 residues pruned to eliminate duplicates Z: 13 4.840 1.620 0.491 0.252 0.750 0.500 CB 1.026 13 residues pruned to eliminate duplicates Z: 9 7.549 1.896 0.490 0.712 0.875 0.875 CB 0.891 7 residues pruned to eliminate duplicates Z: 9 12.592 1.881 0.642 0.929 1.000 1.000 CB 1.009 9 residues pruned to eliminate duplicates Z: 18 25.473 1.975 0.604 0.886 1.000 0.882 CB 1.407 18 residues pruned to eliminate duplicates Z: 17 27.622 2.095 0.779 0.913 1.000 0.875 CB 1.311 17 residues pruned to eliminate duplicates Z: 21 22.557 1.699 0.926 0.776 0.950 0.400 N 1.271 21 residues pruned to eliminate duplicates Z: 7 3.995 1.773 0.128 0.470 0.667 0.500 CB 1.261 Z: 16 16.593 1.948 0.681 0.866 1.000 0.667 CB 0.958 16 residues pruned to eliminate duplicates Z: 6 3.045 1.431 0.131 0.424 0.800 0.400 O 1.139 6 residues pruned to eliminate duplicates Z: 18 14.393 1.896 0.212 0.743 0.882 0.647 CB 1.385 18 residues pruned to eliminate duplicates Z: 18 14.474 1.544 0.509 0.827 0.941 0.647 CB 1.207 18 residues pruned to eliminate duplicates Z: 7 5.138 1.809 0.320 0.804 0.667 0.333 CB 1.010 7 residues pruned to eliminate duplicates Z: 20 18.229 1.981 0.486 0.909 1.000 0.789 CB 1.009 20 residues pruned to eliminate duplicates Z: 9 22.798 2.023 1.061 0.877 1.000 0.125 CB 1.404 16 residues pruned to eliminate duplicates Z: 11 14.745 1.784 0.700 0.862 1.000 0.800 CB 1.129 11 residues pruned to eliminate duplicates Z: 20 25.186 1.916 0.864 0.869 0.947 0.684 CB 1.248 20 residues pruned to eliminate duplicates Z: 19 12.288 1.486 0.780 0.812 0.889 0.611 CB 0.939 16 residues pruned to eliminate duplicates Z: 17 19.400 1.865 0.443 0.921 1.000 0.938 CB 1.268 17 residues pruned to eliminate duplicates 7 1.451 1.610 0.013 0.380 0.833 0.667 CB 0.496 ? Z: 15 11.303 1.746 0.523 0.854 1.000 0.786 CB 0.839 15 residues pruned to eliminate duplicates Z: 7 4.453 1.985 0.558 0.666 1.000 0.833 CB 0.504 Z: 13 7.770 1.802 1.171 0.886 1.000 0.750 CB 0.414 13 residues pruned to eliminate duplicates Z: 8 2.651 1.351 0.537 0.692 0.714 0.286 CB 0.567 7 residues pruned to eliminate duplicates Z: 20 16.384 1.784 0.500 0.862 0.947 0.789 CB 1.088 20 residues pruned to eliminate duplicates Z: 8 10.744 1.641 0.617 0.892 1.000 1.000 CB 1.099 8 residues pruned to eliminate duplicates Z: 14 10.118 1.643 0.700 0.784 0.923 0.769 CB 0.848 Z: 22 15.122 1.858 0.517 0.720 0.905 0.619 CB 1.060 23 residues pruned to eliminate duplicates Z: 15 9.309 1.643 0.268 0.824 0.929 0.714 CB 0.971 15 residues pruned to eliminate duplicates Z: 16 13.644 1.551 0.689 0.823 1.000 0.400 CB 1.017 16 residues pruned to eliminate duplicates Z: 23 11.506 1.738 0.454 0.457 0.909 0.364 CB 1.116 28 residues pruned to eliminate duplicates 6 1.332 1.611 0.201 0.258 0.800 0.200 CB 0.507 ? 6 1.922 1.328 0.320 0.568 1.000 0.600 N 0.459 ? Z: 20 23.440 1.839 0.790 0.877 0.947 0.684 CB 1.252 20 residues pruned to eliminate duplicates Z: 6 3.093 1.354 0.379 0.536 1.000 0.400 N 0.715 Z: 18 21.613 1.950 1.130 0.768 0.941 0.529 CB 1.058 18 residues pruned to eliminate duplicates Z: 6 4.597 1.910 0.707 0.838 1.000 1.000 CB 0.471 Z: 20 20.350 1.958 0.676 0.878 1.000 0.737 CB 1.033 20 residues pruned to eliminate duplicates Z: 14 14.992 1.804 0.707 0.906 1.000 0.692 CB 0.961 14 residues pruned to eliminate duplicates 6 1.503 1.585 0.795 0.332 0.800 0.400 CB 0.355 ? Z: 17 16.245 1.940 0.568 0.863 0.938 0.812 CB 1.045 17 residues pruned to eliminate duplicates Z: 10 3.020 1.378 0.300 0.217 0.778 0.444 C 1.008 Z: 10 5.642 1.768 0.313 0.840 1.000 0.889 CB 0.605 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 5.231 1.598 0.136 0.575 0.833 0.500 N 1.313 Z: 7 4.091 1.526 0.243 0.470 1.000 0.500 CB 0.908 Z: 19 16.426 1.823 0.655 0.893 0.944 0.722 CB 0.975 18 residues pruned to eliminate duplicates Z: 15 16.207 1.854 0.634 0.898 0.929 0.929 CB 1.102 15 residues pruned to eliminate duplicates Z: 6 4.776 1.699 0.733 0.692 0.600 0.600 CB 1.014 6 residues pruned to eliminate duplicates Z: 14 18.473 1.915 0.641 0.874 0.923 0.769 CB 1.285 16 residues pruned to eliminate duplicates Z: 18 18.583 1.845 0.467 0.856 0.941 0.647 CB 1.305 18 residues pruned to eliminate duplicates Z: 16 24.726 1.922 0.814 0.935 1.000 0.867 CB 1.276 16 residues pruned to eliminate duplicates Z: 20 19.511 1.855 0.673 0.773 0.947 0.737 CB 1.196 19 residues pruned to eliminate duplicates Z: 19 17.993 1.813 0.823 0.855 0.889 0.556 CB 1.065 19 residues pruned to eliminate duplicates Z: 16 16.686 1.836 0.783 0.762 0.867 0.533 CB 1.204 16 residues pruned to eliminate duplicates Z: 14 25.523 1.956 0.925 0.857 1.000 0.769 CB 1.385 14 residues pruned to eliminate duplicates Z: 13 18.590 1.899 0.910 0.809 0.917 0.583 CB 1.233 13 residues pruned to eliminate duplicates Z: 18 23.576 1.891 0.811 0.879 1.000 0.882 CB 1.210 17 residues pruned to eliminate duplicates Z: 19 20.395 1.877 0.843 0.878 1.000 0.722 CB 1.009 19 residues pruned to eliminate duplicates Z: 18 25.642 1.914 0.789 0.901 1.000 0.765 CB 1.296 19 residues pruned to eliminate duplicates Z: 12 17.298 1.818 0.881 0.852 0.909 0.818 CB 1.241 13 residues pruned to eliminate duplicates Z: 17 21.986 1.926 0.657 0.919 1.000 0.938 CB 1.214 17 residues pruned to eliminate duplicates Z: 35 22.418 1.754 0.589 0.772 0.912 0.559 CB 1.189 31 residues pruned to eliminate duplicates Z: 15 14.972 1.675 0.409 0.859 1.000 0.786 CB 1.247 15 residues pruned to eliminate duplicates Z: 15 12.191 1.662 0.411 0.807 1.000 0.786 CB 1.063 15 residues pruned to eliminate duplicates Z: 15 14.442 1.733 0.285 0.815 1.000 0.714 CB 1.319 15 residues pruned to eliminate duplicates Z: 31 18.302 1.680 0.443 0.701 0.900 0.600 CB 1.275 31 residues pruned to eliminate duplicates Z: 14 12.665 1.702 0.415 0.790 1.000 0.615 CB 1.130 14 residues pruned to eliminate duplicates Z: 13 10.237 1.677 0.473 0.732 0.917 0.583 CB 1.060 13 residues pruned to eliminate duplicates Z: 10 11.212 1.659 0.491 0.788 1.000 0.556 CB 1.174 10 residues pruned to eliminate duplicates Z: 12 11.172 1.689 0.699 0.820 1.000 0.818 CB 0.890 12 residues pruned to eliminate duplicates Z: 17 11.716 1.626 0.607 0.658 0.938 0.500 CB 1.033 17 residues pruned to eliminate duplicates Z: 35 20.322 1.710 0.642 0.732 0.941 0.647 CB 1.071 35 residues pruned to eliminate duplicates Z: 13 13.688 1.733 0.471 0.770 1.000 0.750 CB 1.221 13 residues pruned to eliminate duplicates Z: 12 10.818 1.680 0.506 0.708 0.909 0.364 CB 1.173 12 residues pruned to eliminate duplicates Z: 18 11.290 1.730 0.441 0.627 0.824 0.647 CB 1.184 18 residues pruned to eliminate duplicates 6 1.789 1.902 0.024 0.301 0.600 0.400 CB 0.855 ? Z: 19 10.925 1.807 0.370 0.622 0.833 0.611 CB 1.113 22 residues pruned to eliminate duplicates Z: 14 13.793 1.766 0.459 0.857 0.923 0.846 CB 1.184 14 residues pruned to eliminate duplicates Z: 11 9.534 1.947 0.423 0.739 0.800 0.500 CB 1.098 11 residues pruned to eliminate duplicates Z: 13 8.703 1.857 0.355 0.700 0.750 0.667 CB 1.110 13 residues pruned to eliminate duplicates Z: 13 13.602 1.815 0.422 0.864 1.000 0.667 CB 1.115 13 residues pruned to eliminate duplicates Z: 13 7.427 1.864 0.338 0.710 0.667 0.667 CB 1.066 13 residues pruned to eliminate duplicates Z: 14 14.555 1.791 0.418 0.753 1.000 0.385 CB 1.268 20 residues pruned to eliminate duplicates Z: 16 14.238 1.759 0.494 0.815 0.933 0.733 CB 1.140 17 residues pruned to eliminate duplicates Z: 14 11.004 1.772 0.574 0.864 0.923 0.923 CB 0.869 14 residues pruned to eliminate duplicates Z: 14 16.689 1.734 0.464 0.885 1.000 0.923 CB 1.316 15 residues pruned to eliminate duplicates Z: 15 15.910 1.724 0.506 0.901 1.000 0.857 CB 1.169 15 residues pruned to eliminate duplicates Z: 16 17.000 1.757 0.611 0.899 1.000 0.800 CB 1.109 14 residues pruned to eliminate duplicates Z: 17 17.236 1.739 0.605 0.888 1.000 0.750 CB 1.112 16 residues pruned to eliminate duplicates Z: 17 15.741 1.718 0.467 0.871 1.000 0.688 CB 1.139 16 residues pruned to eliminate duplicates Z: 16 16.801 1.751 0.714 0.898 1.000 0.867 CB 1.034 16 residues pruned to eliminate duplicates Z: 8 5.245 1.714 0.346 0.342 0.857 0.286 CB 1.191 6 residues pruned to eliminate duplicates Z: 18 12.201 1.846 0.700 0.912 1.000 0.882 CB 0.668 18 residues pruned to eliminate duplicates Z: 21 14.929 1.829 0.688 0.813 0.950 0.750 CB 0.867 21 residues pruned to eliminate duplicates Z: 9 6.470 1.705 1.076 0.783 1.000 0.875 CB 0.504 9 residues pruned to eliminate duplicates Z: 21 16.487 1.815 0.608 0.821 1.000 0.800 CB 0.956 21 residues pruned to eliminate duplicates Z: 20 13.573 1.825 0.488 0.714 0.947 0.737 CB 0.997 20 residues pruned to eliminate duplicates Z: 12 15.300 1.921 0.629 0.919 1.000 1.000 CB 1.039 12 residues pruned to eliminate duplicates Z: 12 14.061 1.930 0.728 0.875 0.909 0.818 CB 1.017 12 residues pruned to eliminate duplicates Z: 20 16.928 1.852 0.944 0.806 0.895 0.684 CB 0.923 20 residues pruned to eliminate duplicates Z: 14 15.136 1.897 0.860 0.913 1.000 0.923 CB 0.842 14 residues pruned to eliminate duplicates Z: 17 13.021 1.814 0.889 0.841 0.812 0.812 CB 0.872 17 residues pruned to eliminate duplicates Z: 13 13.420 1.862 0.919 0.794 0.917 0.667 CB 0.914 13 residues pruned to eliminate duplicates Z: 11 10.109 1.808 0.606 0.675 0.900 0.600 CB 1.041 11 residues pruned to eliminate duplicates Z: 16 8.991 1.770 0.651 0.515 0.867 0.267 CB 0.904 12 residues pruned to eliminate duplicates Z: 17 15.041 1.857 1.252 0.926 0.938 0.688 CB 0.673 17 residues pruned to eliminate duplicates Z: 16 8.807 1.800 0.804 0.481 0.800 0.400 CB 0.892 16 residues pruned to eliminate duplicates Z: 22 10.830 1.735 0.781 0.439 0.762 0.381 CB 1.068 29 residues pruned to eliminate duplicates Z: 13 11.081 1.872 0.316 0.810 1.000 0.750 CB 0.991 13 residues pruned to eliminate duplicates Z: 13 9.737 1.894 0.247 0.609 1.000 0.833 CB 1.073 13 residues pruned to eliminate duplicates Z: 35 18.888 1.808 0.711 0.675 0.912 0.500 CB 0.978 35 residues pruned to eliminate duplicates Z: 13 10.128 1.815 0.390 0.643 1.000 0.667 CB 1.013 13 residues pruned to eliminate duplicates Z: 14 13.595 1.850 0.530 0.797 0.923 0.769 CB 1.113 14 residues pruned to eliminate duplicates Z: 36 22.217 1.808 0.818 0.744 0.914 0.657 CB 1.005 38 residues pruned to eliminate duplicates Z: 12 9.669 1.928 0.228 0.884 0.909 0.909 CB 0.979 12 residues pruned to eliminate duplicates Z: 16 12.942 1.752 0.424 0.860 1.000 0.800 CB 0.985 11 residues pruned to eliminate duplicates Z: 12 9.179 1.874 0.358 0.875 0.909 0.818 CB 0.870 12 residues pruned to eliminate duplicates Z: 12 10.556 1.879 0.551 0.767 0.909 0.636 CB 0.948 12 residues pruned to eliminate duplicates Z: 17 13.319 1.783 0.531 0.649 1.000 0.562 CB 1.061 17 residues pruned to eliminate duplicates Z: 15 15.311 1.867 0.565 0.761 0.929 0.786 CB 1.195 16 residues pruned to eliminate duplicates Z: 17 12.261 1.683 0.250 0.859 1.000 0.938 CB 1.073 17 residues pruned to eliminate duplicates Z: 18 12.281 1.827 0.330 0.737 1.000 0.647 CB 0.991 18 residues pruned to eliminate duplicates Z: 27 18.470 1.867 0.663 0.729 0.846 0.577 CB 1.122 27 residues pruned to eliminate duplicates Z: 21 18.118 1.891 0.454 0.822 0.950 0.850 CB 1.173 21 residues pruned to eliminate duplicates Z: 23 20.328 1.881 0.514 0.780 0.909 0.682 CB 1.308 23 residues pruned to eliminate duplicates Z: 14 10.245 1.882 0.346 0.682 0.923 0.692 CB 1.028 14 residues pruned to eliminate duplicates Z: 19 15.942 1.830 0.486 0.658 0.889 0.722 CB 1.342 19 residues pruned to eliminate duplicates Z: 17 11.838 1.869 0.434 0.546 0.750 0.500 CB 1.408 17 residues pruned to eliminate duplicates Z: 11 15.299 1.993 0.562 0.811 0.900 0.400 CB 1.317 11 residues pruned to eliminate duplicates Z: 17 12.290 2.011 0.341 0.594 0.812 0.500 CB 1.282 14 residues pruned to eliminate duplicates Z: 21 24.960 1.911 0.668 0.910 1.000 0.750 CB 1.241 24 residues pruned to eliminate duplicates Z: 20 23.894 1.962 0.710 0.920 0.947 0.684 CB 1.215 20 residues pruned to eliminate duplicates Z: 18 14.007 1.997 0.542 0.593 0.824 0.706 CB 1.225 18 residues pruned to eliminate duplicates Z: 17 20.272 1.972 0.722 0.729 0.938 0.375 CB 1.295 17 residues pruned to eliminate duplicates Z: 37 25.982 1.908 0.560 0.727 0.944 0.639 CB 1.255 36 residues pruned to eliminate duplicates Z: 22 26.699 1.886 0.798 0.929 0.952 0.714 CB 1.263 22 residues pruned to eliminate duplicates Z: 24 24.890 1.990 0.688 0.781 0.957 0.652 CB 1.261 24 residues pruned to eliminate duplicates Z: 27 20.165 1.960 0.655 0.699 0.885 0.615 CB 1.150 27 residues pruned to eliminate duplicates Z: 59 23.737 1.818 0.502 0.570 0.828 0.483 CB 1.290 61 residues pruned to eliminate duplicates Z: 20 20.865 1.953 0.857 0.842 0.895 0.526 CB 1.099 20 residues pruned to eliminate duplicates Z: 45 20.814 1.882 0.398 0.647 0.818 0.409 CB 1.271 45 residues pruned to eliminate duplicates Z: 33 19.042 1.883 0.529 0.622 0.875 0.500 CB 1.191 33 residues pruned to eliminate duplicates Z: 40 24.110 1.918 0.576 0.741 0.923 0.744 CB 1.115 40 residues pruned to eliminate duplicates Z: 55 25.864 1.871 0.388 0.630 0.889 0.593 CB 1.349 55 residues pruned to eliminate duplicates Z: 34 21.063 1.880 0.442 0.626 0.879 0.606 CB 1.367 33 residues pruned to eliminate duplicates Z: 16 15.724 1.891 0.232 0.792 0.933 0.733 CB 1.445 16 residues pruned to eliminate duplicates Z: 34 22.356 1.879 0.379 0.700 0.909 0.758 CB 1.376 34 residues pruned to eliminate duplicates Z: 17 14.029 1.884 0.145 0.842 0.812 0.688 CB 1.492 17 residues pruned to eliminate duplicates Z: 18 11.959 1.831 0.355 0.615 0.765 0.588 CB 1.372 18 residues pruned to eliminate duplicates Z: 24 13.242 1.833 0.238 0.595 0.783 0.652 CB 1.421 24 residues pruned to eliminate duplicates Z: 26 16.806 1.939 0.206 0.660 0.880 0.680 CB 1.408 26 residues pruned to eliminate duplicates Z: 21 17.348 1.925 0.241 0.687 0.900 0.650 CB 1.520 21 residues pruned to eliminate duplicates Z: 27 16.284 1.917 0.275 0.643 0.846 0.654 CB 1.350 27 residues pruned to eliminate duplicates Z: 27 17.640 1.912 0.185 0.661 0.923 0.654 CB 1.425 27 residues pruned to eliminate duplicates Z: 16 18.671 2.023 0.427 0.756 0.867 0.867 CB 1.534 16 residues pruned to eliminate duplicates Z: 20 16.916 1.964 0.236 0.773 0.895 0.895 CB 1.403 20 residues pruned to eliminate duplicates Z: 30 15.719 1.873 0.344 0.550 0.828 0.517 CB 1.335 30 residues pruned to eliminate duplicates Z: 32 21.035 1.899 0.469 0.692 0.903 0.581 CB 1.257 32 residues pruned to eliminate duplicates Z: 16 15.775 1.989 0.317 0.710 0.933 0.800 CB 1.376 16 residues pruned to eliminate duplicates Z: 22 15.423 1.905 0.379 0.603 0.857 0.524 CB 1.355 22 residues pruned to eliminate duplicates Z: 26 15.829 1.934 0.231 0.594 0.880 0.760 CB 1.380 26 residues pruned to eliminate duplicates Z: 18 11.090 1.788 0.156 0.543 0.882 0.647 CB 1.415 18 residues pruned to eliminate duplicates Z: 28 15.156 1.941 0.368 0.552 0.815 0.519 CB 1.281 28 residues pruned to eliminate duplicates Z: 35 20.856 1.891 0.383 0.639 0.824 0.559 CB 1.459 35 residues pruned to eliminate duplicates Z: 33 17.576 1.872 0.380 0.579 0.875 0.469 CB 1.274 33 residues pruned to eliminate duplicates Z: 32 17.626 1.919 0.272 0.554 0.871 0.613 CB 1.412 32 residues pruned to eliminate duplicates Z: 16 9.399 1.723 0.245 0.536 0.867 0.533 O 1.261 16 residues pruned to eliminate duplicates Z: 20 13.511 1.747 0.293 0.689 0.842 0.421 CB 1.370 20 residues pruned to eliminate duplicates Z: 14 12.641 1.764 0.398 0.701 0.923 0.385 CB 1.282 14 residues pruned to eliminate duplicates Z: 37 24.018 1.886 0.491 0.695 0.917 0.722 CB 1.299 37 residues pruned to eliminate duplicates Z: 13 16.405 1.807 0.786 0.726 0.833 0.417 CB 1.436 13 residues pruned to eliminate duplicates Z: 34 18.559 1.881 0.419 0.650 0.848 0.576 CB 1.241 34 residues pruned to eliminate duplicates Z: 14 18.687 1.827 0.603 0.765 1.000 0.538 CB 1.399 13 residues pruned to eliminate duplicates Z: 15 20.181 1.823 0.632 0.857 1.000 0.857 CB 1.336 15 residues pruned to eliminate duplicates Z: 14 21.317 1.855 0.628 0.878 1.000 0.923 CB 1.420 15 residues pruned to eliminate duplicates Z: 16 19.010 1.798 0.742 0.785 1.000 0.667 CB 1.220 15 residues pruned to eliminate duplicates Z: 14 21.164 1.881 0.584 0.884 1.000 0.923 CB 1.424 14 residues pruned to eliminate duplicates Z: 6 5.957 1.351 0.716 0.837 0.800 0.600 N 1.075 5 residues pruned to eliminate duplicates Z: 15 12.573 1.711 0.461 0.894 0.929 0.786 CB 1.038 15 residues pruned to eliminate duplicates Z: 14 13.090 1.754 0.485 0.909 1.000 0.923 CB 0.990 14 residues pruned to eliminate duplicates Z: 15 10.800 1.777 0.506 0.824 1.000 1.000 CB 0.814 15 residues pruned to eliminate duplicates Z: 14 10.937 1.828 0.476 0.855 0.923 0.923 CB 0.899 14 residues pruned to eliminate duplicates Z: 14 10.560 1.828 0.522 0.818 0.923 0.692 CB 0.866 14 residues pruned to eliminate duplicates Z: 12 13.318 1.928 0.415 0.902 1.000 1.000 CB 1.050 12 residues pruned to eliminate duplicates Z: 14 11.137 1.801 0.672 0.835 0.846 0.692 CB 0.909 13 residues pruned to eliminate duplicates Z: 15 16.550 1.766 0.822 0.927 1.000 0.929 CB 0.964 15 residues pruned to eliminate duplicates Z: 16 15.343 1.735 1.008 0.924 1.000 0.867 CB 0.798 16 residues pruned to eliminate duplicates Z: 12 9.386 1.683 0.541 0.705 0.909 0.727 CB 0.997 12 residues pruned to eliminate duplicates Z: 8 9.396 1.907 0.712 0.742 1.000 0.429 CB 0.876 8 residues pruned to eliminate duplicates Z: 9 7.189 1.687 0.593 0.523 0.750 0.250 CB 1.232 9 residues pruned to eliminate duplicates Z: 9 7.916 1.752 0.438 0.555 1.000 0.250 CB 1.053 9 residues pruned to eliminate duplicates Z: 9 7.373 1.704 0.516 0.595 0.875 0.125 CB 1.053 9 residues pruned to eliminate duplicates Z: 13 5.596 1.654 0.450 0.520 0.667 0.167 CB 0.990 13 residues pruned to eliminate duplicates Z: 12 15.193 1.705 0.688 0.720 0.909 0.727 CB 1.435 12 residues pruned to eliminate duplicates Z: 25 15.416 1.748 0.492 0.706 0.917 0.833 CB 1.092 24 residues pruned to eliminate duplicates Z: 16 16.177 1.631 0.567 0.878 0.933 0.733 CB 1.271 16 residues pruned to eliminate duplicates Z: 13 12.453 1.712 0.806 0.661 0.750 0.667 CB 1.335 13 residues pruned to eliminate duplicates Z: 15 22.046 1.696 0.801 0.893 1.000 0.857 CB 1.385 16 residues pruned to eliminate duplicates Z: 18 15.360 1.582 0.750 0.752 0.882 0.706 CB 1.219 18 residues pruned to eliminate duplicates Z: 12 12.464 1.697 0.590 0.716 0.818 0.818 CB 1.400 12 residues pruned to eliminate duplicates Z: 11 16.050 1.789 0.832 0.756 0.900 0.700 CB 1.370 11 residues pruned to eliminate duplicates Z: 12 12.509 1.638 0.513 0.755 0.909 0.909 O 1.334 12 residues pruned to eliminate duplicates Z: 13 18.970 1.779 0.906 0.771 0.917 0.833 CB 1.386 13 residues pruned to eliminate duplicates Z: 17 19.812 1.673 0.787 0.833 0.938 0.812 CB 1.326 17 residues pruned to eliminate duplicates Z: 15 19.481 1.704 0.856 0.859 0.929 0.714 CB 1.305 15 residues pruned to eliminate duplicates Z: 15 21.448 1.692 0.746 0.907 1.000 0.857 CB 1.379 15 residues pruned to eliminate duplicates Z: 7 6.015 1.450 0.361 0.610 1.000 0.333 CB 1.121 6 residues pruned to eliminate duplicates Z: 17 19.091 1.592 0.879 0.814 1.000 0.625 CB 1.214 17 residues pruned to eliminate duplicates Z: 15 17.175 1.681 0.930 0.739 0.929 0.571 N 1.229 15 residues pruned to eliminate duplicates Z: 14 11.416 1.645 0.864 0.566 0.769 0.538 N 1.259 14 residues pruned to eliminate duplicates Z: 7 5.659 1.548 0.551 0.399 0.833 0.167 CB 1.285 7 residues pruned to eliminate duplicates Z: 16 11.554 1.738 0.352 0.864 1.000 0.867 CB 0.930 16 residues pruned to eliminate duplicates Z: 15 8.590 1.749 0.278 0.567 0.857 0.643 CB 1.123 15 residues pruned to eliminate duplicates Z: 20 18.163 1.853 0.387 0.684 1.000 0.684 CB 1.369 20 residues pruned to eliminate duplicates Z: 16 12.438 1.761 0.435 0.718 1.000 0.867 CB 1.043 16 residues pruned to eliminate duplicates Z: 8 7.553 1.578 0.794 0.869 1.000 0.571 CB 0.736 8 residues pruned to eliminate duplicates Z: 19 15.770 1.839 0.666 0.782 0.944 0.833 CB 1.002 19 residues pruned to eliminate duplicates Z: 23 19.790 1.896 0.589 0.828 0.955 0.773 CB 1.104 23 residues pruned to eliminate duplicates Z: 14 14.953 1.758 0.593 0.765 1.000 0.846 CB 1.171 14 residues pruned to eliminate duplicates Z: 14 15.318 1.816 0.698 0.721 0.923 0.769 CB 1.222 14 residues pruned to eliminate duplicates Z: 13 12.405 1.818 0.724 0.590 0.833 0.667 CB 1.258 13 residues pruned to eliminate duplicates Z: 23 21.300 1.871 0.687 0.731 0.955 0.636 CB 1.225 23 residues pruned to eliminate duplicates Z: 22 23.181 1.895 0.478 0.845 1.000 0.762 CB 1.342 22 residues pruned to eliminate duplicates Z: 28 20.893 1.851 0.624 0.711 0.889 0.741 CB 1.243 28 residues pruned to eliminate duplicates Z: 23 20.684 1.890 0.561 0.794 0.909 0.727 CB 1.271 23 residues pruned to eliminate duplicates Z: 17 20.901 2.032 0.642 0.783 0.875 0.688 CB 1.395 17 residues pruned to eliminate duplicates Z: 23 23.376 1.942 0.529 0.819 1.000 0.682 CB 1.273 23 residues pruned to eliminate duplicates Z: 15 23.159 2.004 0.625 0.799 0.929 0.714 CB 1.576 15 residues pruned to eliminate duplicates Z: 23 24.197 1.882 0.590 0.878 0.955 0.636 CB 1.311 22 residues pruned to eliminate duplicates Z: 23 27.373 1.879 0.597 0.923 1.000 0.955 CB 1.366 23 residues pruned to eliminate duplicates Z: 23 26.908 1.872 0.739 0.859 0.955 0.727 CB 1.358 23 residues pruned to eliminate duplicates Z: 31 30.700 1.995 0.711 0.739 0.967 0.633 CB 1.371 32 residues pruned to eliminate duplicates Z: 26 26.212 1.831 0.727 0.852 1.000 0.760 CB 1.226 26 residues pruned to eliminate duplicates Z: 37 33.614 1.951 0.694 0.813 0.944 0.833 CB 1.367 37 residues pruned to eliminate duplicates Z: 13 20.989 2.023 0.834 0.695 1.000 0.833 CB 1.367 13 residues pruned to eliminate duplicates Z: 16 18.969 1.985 0.637 0.682 0.933 0.600 CB 1.366 16 residues pruned to eliminate duplicates Z: 15 17.694 2.072 0.718 0.670 0.857 0.643 CB 1.324 15 residues pruned to eliminate duplicates Z: 14 24.270 2.072 0.730 0.824 1.000 0.923 CB 1.418 14 residues pruned to eliminate duplicates Z: 16 25.960 1.904 0.754 0.849 1.000 0.600 CB 1.488 15 residues pruned to eliminate duplicates Z: 16 25.815 2.034 0.635 0.867 0.933 0.867 CB 1.571 16 residues pruned to eliminate duplicates Z: 12 19.866 2.076 0.592 0.748 1.000 0.909 CB 1.453 12 residues pruned to eliminate duplicates Z: 31 24.845 1.941 0.776 0.708 0.800 0.533 CB 1.362 31 residues pruned to eliminate duplicates Z: 42 30.021 1.973 0.705 0.710 0.878 0.683 CB 1.313 67 residues pruned to eliminate duplicates Z: 15 25.175 2.030 0.751 0.850 1.000 0.714 CB 1.402 15 residues pruned to eliminate duplicates Z: 16 17.664 1.888 0.818 0.706 0.867 0.600 CB 1.271 16 residues pruned to eliminate duplicates Z: 14 22.592 2.114 0.742 0.733 0.923 0.615 CB 1.494 14 residues pruned to eliminate duplicates Z: 31 30.295 1.981 0.772 0.742 0.867 0.667 CB 1.463 31 residues pruned to eliminate duplicates Z: 15 13.396 1.724 0.612 0.738 0.857 0.714 CB 1.213 15 residues pruned to eliminate duplicates Z: 32 22.754 1.879 0.568 0.779 0.903 0.742 CB 1.201 15 residues pruned to eliminate duplicates Z: 13 15.291 1.812 0.710 0.915 1.000 1.000 CB 1.007 13 residues pruned to eliminate duplicates Z: 28 19.311 1.885 0.465 0.691 0.889 0.630 CB 1.272 28 residues pruned to eliminate duplicates Z: 8 12.022 1.808 0.925 0.754 1.000 1.000 CB 1.041 8 residues pruned to eliminate duplicates Z: 9 8.758 1.830 0.510 0.725 1.000 0.750 CB 0.915 9 residues pruned to eliminate duplicates Z: 19 17.961 1.815 0.641 0.837 0.944 0.778 CB 1.126 19 residues pruned to eliminate duplicates Z: 19 19.180 1.822 0.796 0.783 0.944 0.722 CB 1.140 19 residues pruned to eliminate duplicates Z: 12 12.233 1.731 0.620 0.810 0.909 0.818 CB 1.105 12 residues pruned to eliminate duplicates Z: 13 15.775 1.830 0.699 0.879 0.917 0.833 CB 1.159 13 residues pruned to eliminate duplicates Z: 16 13.966 1.779 0.675 0.807 0.933 0.800 CB 0.993 16 residues pruned to eliminate duplicates Z: 13 9.028 1.701 0.785 0.679 0.833 0.583 CB 0.874 13 residues pruned to eliminate duplicates Z: 16 15.255 1.795 0.748 0.775 0.867 0.800 CB 1.136 16 residues pruned to eliminate duplicates Z: 15 17.562 1.809 0.939 0.863 0.929 0.786 CB 1.057 15 residues pruned to eliminate duplicates Z: 14 9.438 1.739 0.530 0.692 0.769 0.462 CB 1.073 14 residues pruned to eliminate duplicates Z: 8 6.696 1.907 0.582 0.754 1.000 1.000 CB 0.669 8 residues pruned to eliminate duplicates Z: 24 16.947 1.969 0.603 0.731 0.957 0.652 CB 0.951 24 residues pruned to eliminate duplicates Z: 25 16.725 1.938 0.639 0.709 0.917 0.750 CB 0.970 25 residues pruned to eliminate duplicates Z: 7 7.821 1.916 0.805 0.874 1.000 0.833 CB 0.672 7 residues pruned to eliminate duplicates Z: 17 19.975 2.054 0.933 0.902 1.000 0.750 CB 0.897 17 residues pruned to eliminate duplicates Z: 19 15.353 1.969 0.788 0.854 0.944 0.722 CB 0.804 19 residues pruned to eliminate duplicates Z: 21 19.273 1.993 1.017 0.777 0.950 0.550 CB 0.884 21 residues pruned to eliminate duplicates Z: 19 18.550 1.974 0.846 0.825 0.944 0.722 CB 0.959 19 residues pruned to eliminate duplicates Z: 37 25.557 1.942 0.764 0.792 0.861 0.611 CB 1.118 39 residues pruned to eliminate duplicates Z: 20 23.485 1.999 0.943 0.905 1.000 0.737 CB 0.987 20 residues pruned to eliminate duplicates Z: 39 29.563 2.002 0.611 0.774 0.921 0.737 CB 1.266 36 residues pruned to eliminate duplicates Z: 21 22.788 1.924 1.050 0.906 0.950 0.700 CB 0.967 21 residues pruned to eliminate duplicates Z: 20 18.238 1.966 0.923 0.800 0.842 0.579 CB 1.011 20 residues pruned to eliminate duplicates Z: 22 17.733 1.953 0.829 0.782 0.905 0.571 CB 0.934 22 residues pruned to eliminate duplicates Z: 25 21.388 2.001 0.907 0.664 0.917 0.750 CB 1.072 25 residues pruned to eliminate duplicates Z: 23 19.984 2.033 0.872 0.693 0.909 0.682 CB 1.032 23 residues pruned to eliminate duplicates Z: 22 17.318 1.951 1.007 0.769 0.952 0.571 CB 0.799 22 residues pruned to eliminate duplicates Z: 38 29.168 2.025 0.656 0.829 0.946 0.649 CB 1.138 38 residues pruned to eliminate duplicates Z: 16 19.561 2.071 0.604 0.702 0.867 0.600 CB 1.459 16 residues pruned to eliminate duplicates Z: 24 16.559 1.969 0.340 0.685 0.870 0.739 CB 1.270 24 residues pruned to eliminate duplicates Z: 19 24.121 2.061 0.466 0.806 0.889 0.722 CB 1.622 22 residues pruned to eliminate duplicates Z: 19 29.495 1.938 0.734 0.907 1.000 0.722 CB 1.470 19 residues pruned to eliminate duplicates Z: 19 30.010 2.042 0.794 0.810 1.000 0.778 CB 1.473 19 residues pruned to eliminate duplicates Z: 19 25.763 2.034 0.590 0.839 1.000 0.778 CB 1.403 18 residues pruned to eliminate duplicates Z: 19 22.350 1.950 0.820 0.781 0.889 0.667 CB 1.304 19 residues pruned to eliminate duplicates Z: 16 29.942 2.150 0.744 0.761 1.000 0.800 CB 1.636 16 residues pruned to eliminate duplicates Z: 55 30.319 1.943 0.790 0.686 0.870 0.685 CB 1.149 55 residues pruned to eliminate duplicates Z: 20 26.293 1.972 0.537 0.879 1.000 0.842 CB 1.443 20 residues pruned to eliminate duplicates Z: 18 28.152 2.035 0.755 0.755 0.941 0.706 CB 1.619 18 residues pruned to eliminate duplicates Z: 37 34.996 2.027 0.903 0.813 0.972 0.889 CB 1.184 37 residues pruned to eliminate duplicates Z: 38 33.602 2.036 0.836 0.798 0.946 0.703 CB 1.203 38 residues pruned to eliminate duplicates Z: 37 37.966 2.013 0.981 0.790 0.944 0.583 CB 1.303 37 residues pruned to eliminate duplicates Z: 40 34.900 1.974 0.924 0.743 0.923 0.538 CB 1.282 40 residues pruned to eliminate duplicates Z: 38 30.671 2.000 0.857 0.802 0.946 0.757 CB 1.102 38 residues pruned to eliminate duplicates Z: 19 28.860 2.091 0.668 0.825 0.889 0.778 CB 1.656 19 residues pruned to eliminate duplicates Z: 19 28.523 2.057 0.621 0.798 0.944 0.778 CB 1.644 19 residues pruned to eliminate duplicates Z: 23 26.768 2.006 0.673 0.736 0.955 0.682 CB 1.441 23 residues pruned to eliminate duplicates Z: 10 2.428 1.623 0.383 0.339 0.778 0.556 CB 0.553 10 residues pruned to eliminate duplicates Z: 42 31.974 1.984 0.900 0.705 0.902 0.585 CB 1.218 42 residues pruned to eliminate duplicates Z: 16 8.669 1.849 0.288 0.400 0.933 0.667 CB 1.119 16 residues pruned to eliminate duplicates Z: 8 3.559 1.775 0.593 0.181 0.857 0.429 CB 0.816 8 residues pruned to eliminate duplicates Z: 15 10.750 1.901 0.509 0.500 0.786 0.429 CB 1.275 15 residues pruned to eliminate duplicates Z: 13 9.193 1.870 0.506 0.434 0.833 0.500 CB 1.210 13 residues pruned to eliminate duplicates Z: 20 19.373 1.984 0.632 0.684 1.000 0.526 CB 1.160 20 residues pruned to eliminate duplicates Z: 21 11.187 1.863 0.483 0.516 0.900 0.550 CB 0.990 21 residues pruned to eliminate duplicates Z: 32 13.252 1.807 0.443 0.410 0.903 0.419 CB 1.111 32 residues pruned to eliminate duplicates Z: 23 21.621 1.963 0.571 0.696 1.000 0.727 CB 1.250 23 residues pruned to eliminate duplicates Z: 25 15.891 1.954 0.302 0.665 0.875 0.667 CB 1.251 25 residues pruned to eliminate duplicates Z: 39 27.551 1.974 0.511 0.615 0.921 0.632 CB 1.460 39 residues pruned to eliminate duplicates Z: 17 18.681 1.947 0.485 0.676 0.938 0.562 CB 1.465 17 residues pruned to eliminate duplicates Z: 19 17.923 1.950 0.614 0.616 0.889 0.722 CB 1.353 19 residues pruned to eliminate duplicates Z: 23 14.375 1.867 0.551 0.518 0.818 0.500 CB 1.271 23 residues pruned to eliminate duplicates Z: 74 38.273 1.946 0.814 0.710 0.932 0.575 CB 1.126 74 residues pruned to eliminate duplicates Z: 34 28.135 2.005 0.576 0.807 0.909 0.848 CB 1.305 34 residues pruned to eliminate duplicates Z: 16 20.818 1.930 0.724 0.754 0.933 0.667 CB 1.380 16 residues pruned to eliminate duplicates Z: 28 21.450 1.884 0.725 0.668 0.926 0.481 CB 1.174 28 residues pruned to eliminate duplicates Z: 10 13.599 2.006 0.536 0.752 0.889 0.778 CB 1.322 10 residues pruned to eliminate duplicates Z: 38 27.550 1.928 0.676 0.729 0.892 0.784 CB 1.279 38 residues pruned to eliminate duplicates Z: 40 24.452 1.888 0.619 0.724 0.872 0.692 CB 1.200 40 residues pruned to eliminate duplicates Z: 25 23.549 1.917 0.796 0.755 1.000 0.708 CB 1.113 25 residues pruned to eliminate duplicates Z: 17 9.642 1.777 0.640 0.455 0.688 0.375 N 1.259 17 residues pruned to eliminate duplicates Z: 39 26.185 1.974 0.574 0.717 0.868 0.763 CB 1.293 39 residues pruned to eliminate duplicates Z: 20 17.261 1.815 0.831 0.645 0.842 0.421 CB 1.235 20 residues pruned to eliminate duplicates Z: 20 25.724 1.994 0.641 0.759 0.947 0.737 CB 1.512 20 residues pruned to eliminate duplicates Z: 39 27.613 1.998 0.373 0.762 0.974 0.711 CB 1.329 39 residues pruned to eliminate duplicates Z: 22 20.417 1.992 0.438 0.699 0.905 0.762 CB 1.434 22 residues pruned to eliminate duplicates Z: 40 25.953 1.954 0.585 0.680 0.923 0.692 CB 1.232 40 residues pruned to eliminate duplicates Z: 28 22.901 1.921 0.652 0.695 0.852 0.667 CB 1.364 28 residues pruned to eliminate duplicates Z: 90 38.440 1.963 0.648 0.671 0.888 0.618 CB 1.212 90 residues pruned to eliminate duplicates Z: 40 27.085 1.989 0.518 0.732 0.897 0.667 CB 1.299 40 residues pruned to eliminate duplicates Z: 15 13.646 1.942 0.430 0.707 0.857 0.714 CB 1.269 15 residues pruned to eliminate duplicates Z: 41 32.081 1.957 0.731 0.751 0.950 0.650 CB 1.259 41 residues pruned to eliminate duplicates Z: 32 20.171 1.903 0.627 0.652 0.871 0.516 CB 1.166 32 residues pruned to eliminate duplicates Z: 40 26.886 1.924 0.655 0.652 0.923 0.667 CB 1.272 40 residues pruned to eliminate duplicates Z: 38 24.455 1.999 0.449 0.667 0.892 0.649 CB 1.333 38 residues pruned to eliminate duplicates Z: 42 26.847 2.006 0.516 0.691 0.854 0.780 CB 1.356 42 residues pruned to eliminate duplicates Z: 42 28.232 1.999 0.514 0.719 0.976 0.683 CB 1.224 42 residues pruned to eliminate duplicates Z: 43 27.722 1.971 0.533 0.655 0.905 0.714 CB 1.355 43 residues pruned to eliminate duplicates Z: 46 29.385 1.982 0.593 0.682 0.933 0.600 CB 1.257 46 residues pruned to eliminate duplicates Z: 32 22.058 1.951 0.720 0.668 0.903 0.484 CB 1.119 32 residues pruned to eliminate duplicates Z: 30 17.232 1.933 0.642 0.553 0.862 0.621 CB 1.110 30 residues pruned to eliminate duplicates Z: 26 18.161 1.946 0.607 0.620 0.960 0.640 CB 1.080 26 residues pruned to eliminate duplicates Z: 22 18.375 2.013 0.567 0.666 1.000 0.667 CB 1.089 22 residues pruned to eliminate duplicates Z: 50 26.048 1.928 0.574 0.641 0.878 0.612 CB 1.225 50 residues pruned to eliminate duplicates Z: 45 28.735 1.976 0.606 0.682 0.886 0.682 CB 1.303 45 residues pruned to eliminate duplicates Z: 9 2.085 1.509 0.123 0.408 0.500 0.375 CB 0.958 9 residues pruned to eliminate duplicates Z: 6 3.248 1.570 0.631 0.796 0.800 0.800 CB 0.547 6 residues pruned to eliminate duplicates Z: 25 21.498 1.980 0.552 0.845 0.917 0.833 CB 1.158 25 residues pruned to eliminate duplicates Z: 19 15.833 1.861 0.506 0.788 0.944 0.778 CB 1.095 19 residues pruned to eliminate duplicates Z: 24 23.869 2.026 0.625 0.877 1.000 0.913 CB 1.099 24 residues pruned to eliminate duplicates Z: 24 22.652 1.999 0.467 0.894 0.957 0.870 CB 1.208 24 residues pruned to eliminate duplicates Z: 25 19.824 1.980 0.526 0.860 0.917 0.875 CB 1.074 25 residues pruned to eliminate duplicates Z: 30 17.486 1.846 0.546 0.705 0.862 0.655 CB 1.096 30 residues pruned to eliminate duplicates Z: 28 20.074 1.933 0.527 0.811 0.926 0.852 CB 1.078 28 residues pruned to eliminate duplicates Z: 24 23.832 2.007 0.594 0.874 0.957 0.696 CB 1.182 24 residues pruned to eliminate duplicates Z: 25 19.749 1.999 0.457 0.821 0.875 0.500 CB 1.197 25 residues pruned to eliminate duplicates Z: 24 25.137 2.026 0.615 0.877 0.957 0.739 CB 1.216 24 residues pruned to eliminate duplicates Z: 27 22.435 1.953 0.720 0.791 0.846 0.692 CB 1.198 27 residues pruned to eliminate duplicates Z: 25 22.007 1.971 0.719 0.844 0.917 0.708 CB 1.076 25 residues pruned to eliminate duplicates Z: 29 21.623 1.926 0.737 0.759 0.857 0.643 CB 1.131 29 residues pruned to eliminate duplicates Z: 29 20.819 1.951 0.680 0.787 0.857 0.536 CB 1.088 29 residues pruned to eliminate duplicates Z: 23 24.881 2.057 0.714 0.814 1.000 0.591 CB 1.146 23 residues pruned to eliminate duplicates Z: 30 20.888 1.930 0.645 0.789 0.862 0.586 CB 1.099 30 residues pruned to eliminate duplicates Z: 30 21.018 1.952 0.815 0.755 0.862 0.621 CB 1.018 30 residues pruned to eliminate duplicates Z: 27 22.915 1.992 0.733 0.794 0.885 0.769 CB 1.137 27 residues pruned to eliminate duplicates Z: 34 27.641 1.951 0.797 0.723 0.909 0.667 CB 1.235 48 residues pruned to eliminate duplicates Z: 25 23.881 1.932 0.591 0.853 0.958 0.792 CB 1.223 25 residues pruned to eliminate duplicates Z: 40 30.318 1.953 0.671 0.772 0.872 0.718 CB 1.341 40 residues pruned to eliminate duplicates Z: 34 26.138 1.987 0.777 0.754 0.848 0.667 CB 1.211 34 residues pruned to eliminate duplicates Z: 36 26.855 1.970 0.678 0.721 0.886 0.743 CB 1.269 36 residues pruned to eliminate duplicates Z: 41 27.908 1.915 0.687 0.727 0.900 0.525 CB 1.238 41 residues pruned to eliminate duplicates Z: 12 22.586 1.967 1.053 0.712 0.909 0.091 CB 1.530 12 residues pruned to eliminate duplicates Z: 17 19.756 1.920 0.734 0.858 0.938 0.438 CB 1.165 17 residues pruned to eliminate duplicates Z: 15 18.291 1.846 0.791 0.662 0.929 0.429 CB 1.370 15 residues pruned to eliminate duplicates Z: 13 17.799 2.030 0.817 0.792 1.000 0.500 CB 1.078 13 residues pruned to eliminate duplicates Z: 17 21.117 1.910 1.048 0.841 0.875 0.375 CB 1.150 17 residues pruned to eliminate duplicates Z: 13 20.881 2.022 0.961 0.816 1.000 0.333 CB 1.155 13 residues pruned to eliminate duplicates Z: 19 25.206 1.862 0.860 0.771 1.000 0.500 CB 1.349 19 residues pruned to eliminate duplicates Z: 16 24.719 1.981 1.080 0.908 0.933 0.533 CB 1.178 16 residues pruned to eliminate duplicates Z: 29 22.915 1.886 1.025 0.744 0.893 0.321 CB 1.021 29 residues pruned to eliminate duplicates Z: 17 26.295 1.986 0.895 0.788 0.875 0.625 CB 1.550 17 residues pruned to eliminate duplicates Z: 20 24.456 1.933 0.873 0.808 1.000 0.474 CB 1.185 20 residues pruned to eliminate duplicates Z: 19 27.161 1.904 0.879 0.831 1.000 0.667 CB 1.345 19 residues pruned to eliminate duplicates Z: 19 29.429 1.908 1.049 0.836 1.000 0.611 CB 1.328 19 residues pruned to eliminate duplicates Z: 45 33.729 1.928 0.886 0.796 0.909 0.659 CB 1.186 45 residues pruned to eliminate duplicates Z: 20 26.690 1.850 1.029 0.811 0.947 0.632 CB 1.313 20 residues pruned to eliminate duplicates Z: 16 11.995 1.893 0.402 0.751 0.867 0.533 CB 1.077 16 residues pruned to eliminate duplicates Z: 10 8.378 1.635 0.856 0.477 0.889 0.333 CB 1.060 10 residues pruned to eliminate duplicates Z: 21 14.635 2.075 0.393 0.819 0.850 0.850 CB 1.010 21 residues pruned to eliminate duplicates Z: 19 17.123 2.044 0.549 0.875 0.944 0.778 CB 0.982 19 residues pruned to eliminate duplicates Z: 21 17.870 2.098 0.397 0.827 0.950 0.850 CB 1.082 21 residues pruned to eliminate duplicates Z: 32 26.911 2.040 0.696 0.840 0.968 0.677 CB 1.077 33 residues pruned to eliminate duplicates Z: 17 22.143 2.059 0.778 0.940 1.000 0.875 CB 1.050 17 residues pruned to eliminate duplicates Z: 17 22.459 2.094 0.708 0.916 0.938 0.875 CB 1.182 17 residues pruned to eliminate duplicates Z: 21 21.250 2.006 0.598 0.729 0.950 0.700 CB 1.269 21 residues pruned to eliminate duplicates Z: 38 34.135 2.056 0.660 0.824 0.973 0.730 CB 1.276 38 residues pruned to eliminate duplicates Z: 21 20.196 2.103 0.619 0.835 0.900 0.800 CB 1.104 21 residues pruned to eliminate duplicates Z: 36 26.932 2.026 0.720 0.734 0.914 0.600 CB 1.158 36 residues pruned to eliminate duplicates Z: 22 21.563 2.077 0.614 0.783 0.952 0.762 CB 1.149 22 residues pruned to eliminate duplicates Z: 21 23.151 2.082 0.895 0.824 0.900 0.750 CB 1.101 21 residues pruned to eliminate duplicates Z: 25 19.303 1.974 0.756 0.697 0.917 0.625 CB 1.036 25 residues pruned to eliminate duplicates Z: 33 32.767 2.009 0.917 0.820 0.969 0.719 CB 1.176 33 residues pruned to eliminate duplicates Z: 29 31.539 2.069 1.049 0.801 0.964 0.714 CB 1.120 30 residues pruned to eliminate duplicates Z: 16 26.181 2.108 1.121 0.913 1.000 0.800 CB 1.070 16 residues pruned to eliminate duplicates Z: 15 17.229 2.084 0.634 0.788 0.857 0.500 CB 1.224 15 residues pruned to eliminate duplicates Z: 38 27.894 1.976 0.768 0.746 0.892 0.676 CB 1.182 38 residues pruned to eliminate duplicates Z: 37 29.108 2.008 0.673 0.756 0.944 0.694 CB 1.218 37 residues pruned to eliminate duplicates Z: 39 29.904 2.008 0.691 0.810 0.947 0.737 CB 1.150 39 residues pruned to eliminate duplicates Z: 39 29.749 2.020 0.688 0.783 0.895 0.737 CB 1.233 39 residues pruned to eliminate duplicates Z: 38 34.086 2.001 0.905 0.799 0.973 0.622 CB 1.163 38 residues pruned to eliminate duplicates Z: 33 28.691 2.051 0.703 0.785 0.938 0.719 CB 1.205 33 residues pruned to eliminate duplicates Z: 39 31.796 1.980 0.854 0.817 0.947 0.711 CB 1.126 39 residues pruned to eliminate duplicates Z: 34 29.963 2.037 0.847 0.831 0.909 0.727 CB 1.146 34 residues pruned to eliminate duplicates Z: 14 19.560 2.013 0.645 0.810 0.923 0.385 CB 1.355 14 residues pruned to eliminate duplicates Z: 22 23.159 1.858 0.707 0.776 0.952 0.667 CB 1.310 22 residues pruned to eliminate duplicates Z: 40 32.659 2.006 0.774 0.820 0.974 0.667 CB 1.143 40 residues pruned to eliminate duplicates Z: 37 30.859 2.019 0.707 0.803 0.944 0.611 CB 1.212 37 residues pruned to eliminate duplicates Z: 39 31.208 1.983 0.768 0.795 0.895 0.632 CB 1.247 40 residues pruned to eliminate duplicates Z: 18 25.871 1.974 0.683 0.878 1.000 0.765 CB 1.370 18 residues pruned to eliminate duplicates Z: 19 23.835 1.980 0.619 0.825 0.889 0.667 CB 1.489 19 residues pruned to eliminate duplicates Z: 53 24.550 1.945 0.533 0.665 0.865 0.635 CB 1.133 53 residues pruned to eliminate duplicates Z: 38 28.213 1.950 1.035 0.794 0.838 0.459 CB 1.078 38 residues pruned to eliminate duplicates 8 1.347 1.569 0.090 0.203 0.429 0.286 CB 0.989 ? Z: 8 2.393 1.702 -0.044 0.200 0.714 0.286 CB 1.111 8 residues pruned to eliminate duplicates Z: 10 4.138 1.810 0.329 0.341 0.889 0.333 CB 0.767 8 residues pruned to eliminate duplicates Z: 24 20.104 1.929 0.436 0.826 0.957 0.870 CB 1.193 28 residues pruned to eliminate duplicates Z: 24 23.334 1.943 0.428 0.788 0.957 0.783 CB 1.423 24 residues pruned to eliminate duplicates Z: 21 12.285 1.826 0.376 0.671 0.900 0.750 CB 1.037 21 residues pruned to eliminate duplicates Z: 19 26.552 2.064 0.639 0.804 0.944 0.667 CB 1.502 19 residues pruned to eliminate duplicates Z: 17 28.071 2.062 0.624 0.944 1.000 0.812 CB 1.452 17 residues pruned to eliminate duplicates Z: 17 12.533 1.842 0.512 0.564 0.938 0.625 CB 1.128 18 residues pruned to eliminate duplicates Z: 20 30.966 1.980 0.933 0.913 1.000 0.895 CB 1.314 20 residues pruned to eliminate duplicates Z: 22 27.202 2.010 0.755 0.801 0.952 0.857 CB 1.358 22 residues pruned to eliminate duplicates Z: 20 26.274 2.039 0.667 0.904 1.000 0.842 CB 1.263 20 residues pruned to eliminate duplicates Z: 18 30.415 2.090 0.895 0.913 0.941 0.765 CB 1.401 18 residues pruned to eliminate duplicates Z: 25 21.713 1.963 0.807 0.785 0.917 0.750 CB 1.060 25 residues pruned to eliminate duplicates Z: 19 28.921 2.085 0.798 0.808 0.944 0.667 CB 1.471 19 residues pruned to eliminate duplicates Z: 18 31.425 2.081 0.907 0.921 1.000 0.765 CB 1.351 18 residues pruned to eliminate duplicates Z: 25 23.394 1.963 0.697 0.715 0.875 0.458 CB 1.348 25 residues pruned to eliminate duplicates Z: 17 33.612 2.103 0.907 0.864 1.000 0.750 CB 1.536 17 residues pruned to eliminate duplicates Z: 20 27.105 2.039 0.869 0.806 0.947 0.579 CB 1.318 20 residues pruned to eliminate duplicates Z: 19 26.926 2.066 0.899 0.857 0.944 0.556 CB 1.262 19 residues pruned to eliminate duplicates Z: 18 17.567 1.988 0.977 0.815 0.765 0.353 CB 1.078 18 residues pruned to eliminate duplicates Z: 32 22.114 1.913 0.781 0.675 0.806 0.452 CB 1.230 32 residues pruned to eliminate duplicates Z: 19 29.838 2.042 1.111 0.933 0.944 0.722 CB 1.206 19 residues pruned to eliminate duplicates Z: 33 23.826 1.950 0.792 0.673 0.875 0.500 CB 1.175 33 residues pruned to eliminate duplicates Z: 32 17.394 1.785 0.798 0.539 0.774 0.290 CB 1.209 32 residues pruned to eliminate duplicates Z: 26 23.820 1.982 0.875 0.700 0.880 0.440 CB 1.214 26 residues pruned to eliminate duplicates Z: 36 23.679 1.909 0.748 0.683 0.886 0.429 CB 1.145 36 residues pruned to eliminate duplicates Z: 28 21.174 1.888 0.659 0.578 0.852 0.370 N 1.418 28 residues pruned to eliminate duplicates Z: 39 22.244 1.841 0.743 0.698 0.868 0.421 CB 1.081 39 residues pruned to eliminate duplicates Z: 42 25.889 1.882 0.731 0.642 0.878 0.537 CB 1.238 42 residues pruned to eliminate duplicates Z: 39 27.559 1.933 0.764 0.751 0.895 0.684 CB 1.171 39 residues pruned to eliminate duplicates Z: 41 24.474 1.890 0.658 0.701 0.850 0.575 CB 1.209 41 residues pruned to eliminate duplicates Z: 15 12.513 1.807 0.414 0.733 0.929 0.786 CB 1.144 13 residues pruned to eliminate duplicates Z: 16 17.894 1.800 0.469 0.903 1.000 0.867 CB 1.245 16 residues pruned to eliminate duplicates Z: 37 27.480 1.942 0.692 0.738 0.889 0.556 CB 1.267 37 residues pruned to eliminate duplicates Z: 37 29.607 1.932 0.712 0.782 0.917 0.528 CB 1.270 37 residues pruned to eliminate duplicates Z: 15 13.392 1.873 0.485 0.686 0.929 0.786 CB 1.169 15 residues pruned to eliminate duplicates Z: 46 22.504 1.896 0.641 0.672 0.911 0.600 CB 1.009 46 residues pruned to eliminate duplicates Z: 14 8.820 1.853 0.376 0.679 0.692 0.462 N 1.175 14 residues pruned to eliminate duplicates Z: 39 27.348 1.949 0.743 0.715 0.921 0.605 CB 1.167 39 residues pruned to eliminate duplicates Z: 32 19.691 1.824 0.566 0.518 0.903 0.677 CB 1.347 37 residues pruned to eliminate duplicates Z: 18 17.920 1.855 0.421 0.811 1.000 0.882 CB 1.258 18 residues pruned to eliminate duplicates Z: 50 22.752 1.912 0.540 0.632 0.755 0.490 CB 1.291 50 residues pruned to eliminate duplicates Z: 12 7.156 1.769 0.578 0.507 0.636 0.364 CB 1.206 12 residues pruned to eliminate duplicates Z: 49 25.309 1.923 0.681 0.634 0.854 0.583 CB 1.167 53 residues pruned to eliminate duplicates Z: 18 18.197 1.836 0.457 0.813 0.941 0.647 CB 1.335 16 residues pruned to eliminate duplicates Z: 16 24.723 1.917 0.645 0.876 1.000 0.733 CB 1.471 16 residues pruned to eliminate duplicates Z: 11 16.685 1.784 0.769 0.759 0.900 0.700 O 1.476 10 residues pruned to eliminate duplicates Z: 14 28.450 1.828 0.978 0.862 1.000 0.769 CB 1.602 17 residues pruned to eliminate duplicates Z: 15 23.682 1.863 0.971 0.917 1.000 0.714 CB 1.216 16 residues pruned to eliminate duplicates Z: 16 25.398 1.921 0.850 0.872 1.000 0.467 CB 1.345 14 residues pruned to eliminate duplicates Z: 16 24.195 1.853 0.790 0.877 1.000 0.733 CB 1.368 17 residues pruned to eliminate duplicates Z: 15 24.009 1.919 0.757 0.905 1.000 1.000 CB 1.355 15 residues pruned to eliminate duplicates Z: 17 20.883 1.910 0.479 0.815 0.938 0.688 CB 1.498 16 residues pruned to eliminate duplicates Z: 16 29.490 1.916 0.970 0.919 1.000 1.000 CB 1.421 16 residues pruned to eliminate duplicates Z: 17 24.118 1.887 0.708 0.844 1.000 0.812 CB 1.391 17 residues pruned to eliminate duplicates Z: 16 24.702 1.921 0.650 0.850 1.000 0.667 CB 1.491 16 residues pruned to eliminate duplicates Z: 14 22.187 1.903 0.655 0.886 1.000 0.846 CB 1.410 14 residues pruned to eliminate duplicates Z: 55 25.749 1.853 0.632 0.616 0.815 0.370 CB 1.274 59 residues pruned to eliminate duplicates Z: 16 24.782 1.932 0.682 0.841 1.000 0.600 CB 1.468 16 residues pruned to eliminate duplicates Z: 57 25.926 1.862 0.651 0.633 0.821 0.411 CB 1.212 57 residues pruned to eliminate duplicates Z: 7 8.142 1.696 0.819 0.812 0.833 0.333 CB 0.986 6 residues pruned to eliminate duplicates Z: 21 17.635 1.873 0.731 0.909 0.950 0.750 CB 0.908 21 residues pruned to eliminate duplicates Z: 21 20.087 1.894 0.757 0.876 0.950 0.600 CB 1.033 21 residues pruned to eliminate duplicates Z: 20 16.348 1.935 0.616 0.882 1.000 0.737 CB 0.868 20 residues pruned to eliminate duplicates Z: 16 12.324 1.886 0.700 0.732 0.867 0.600 CB 0.929 16 residues pruned to eliminate duplicates Z: 23 17.037 1.848 0.661 0.756 0.955 0.682 CB 0.987 23 residues pruned to eliminate duplicates Z: 19 17.617 1.902 0.875 0.877 0.889 0.722 CB 0.951 19 residues pruned to eliminate duplicates Z: 20 20.382 1.930 0.899 0.838 0.947 0.737 CB 1.006 20 residues pruned to eliminate duplicates Z: 20 18.419 1.917 0.778 0.889 0.947 0.737 CB 0.942 20 residues pruned to eliminate duplicates Z: 26 20.210 1.922 0.676 0.757 0.920 0.440 CB 1.085 26 residues pruned to eliminate duplicates Z: 12 9.883 1.878 0.592 0.834 0.909 0.909 CB 0.822 12 residues pruned to eliminate duplicates Z: 18 15.787 1.960 0.775 0.882 0.882 0.765 CB 0.903 18 residues pruned to eliminate duplicates Z: 20 17.657 1.941 0.700 0.859 1.000 0.579 CB 0.903 20 residues pruned to eliminate duplicates Z: 20 20.259 1.962 1.099 0.820 0.947 0.684 CB 0.903 20 residues pruned to eliminate duplicates Z: 19 19.352 1.930 0.929 0.859 0.944 0.722 CB 0.955 19 residues pruned to eliminate duplicates Z: 21 21.918 1.938 0.932 0.749 0.950 0.550 CB 1.103 21 residues pruned to eliminate duplicates Z: 19 16.865 1.950 0.820 0.764 0.833 0.444 CB 1.063 19 residues pruned to eliminate duplicates Z: 26 22.912 1.919 0.988 0.757 0.920 0.520 CB 1.038 26 residues pruned to eliminate duplicates Z: 27 23.594 1.841 0.973 0.708 0.962 0.346 CB 1.097 27 residues pruned to eliminate duplicates Z: 13 11.690 1.935 0.672 0.618 0.833 0.583 CB 1.120 13 residues pruned to eliminate duplicates Z: 26 24.508 1.890 0.776 0.732 0.960 0.640 CB 1.234 26 residues pruned to eliminate duplicates Z: 31 26.318 1.869 0.880 0.710 0.967 0.467 CB 1.169 31 residues pruned to eliminate duplicates Z: 37 21.389 1.801 0.804 0.639 0.861 0.472 CB 1.119 37 residues pruned to eliminate duplicates Z: 32 18.793 1.782 0.711 0.575 0.839 0.387 CB 1.228 32 residues pruned to eliminate duplicates Z: 31 24.018 1.847 0.801 0.786 0.933 0.500 CB 1.098 31 residues pruned to eliminate duplicates Z: 35 25.367 1.852 0.785 0.763 0.941 0.559 CB 1.107 35 residues pruned to eliminate duplicates Z: 17 19.100 1.809 0.696 0.784 0.938 0.438 CB 1.292 17 residues pruned to eliminate duplicates Z: 35 23.885 1.842 0.821 0.770 0.853 0.559 CB 1.128 35 residues pruned to eliminate duplicates Z: 36 20.496 1.791 0.781 0.717 0.886 0.486 CB 1.008 36 residues pruned to eliminate duplicates Z: 6 3.975 1.669 0.204 0.659 0.600 0.200 CB 1.272 6 residues pruned to eliminate duplicates Z: 13 12.922 1.815 0.927 0.720 0.833 0.250 CB 1.049 13 residues pruned to eliminate duplicates Z: 35 19.092 1.821 0.732 0.665 0.912 0.500 CB 0.977 35 residues pruned to eliminate duplicates Z: 17 10.136 1.676 0.343 0.615 0.875 0.500 CB 1.154 16 residues pruned to eliminate duplicates Z: 21 18.241 1.738 0.760 0.817 0.900 0.500 CB 1.125 22 residues pruned to eliminate duplicates Z: 21 20.811 1.772 0.674 0.814 1.000 0.600 CB 1.194 21 residues pruned to eliminate duplicates Z: 8 3.729 1.694 0.661 0.617 0.429 0.429 CB 1.046 8 residues pruned to eliminate duplicates Z: 7 2.170 1.555 0.389 0.417 1.000 0.667 CB 0.447 3 residues pruned to eliminate duplicates Z: 10 7.653 1.740 0.320 0.787 1.000 0.778 CB 0.863 10 residues pruned to eliminate duplicates Z: 13 7.153 1.662 0.463 0.539 0.833 0.500 CB 0.982 14 residues pruned to eliminate duplicates Z: 8 5.867 1.717 0.437 0.778 1.000 0.714 CB 0.703 10 residues pruned to eliminate duplicates Z: 11 7.219 1.696 0.516 0.869 1.000 0.900 CB 0.649 11 residues pruned to eliminate duplicates Z: 12 7.747 1.754 0.432 0.875 1.000 0.909 CB 0.677 12 residues pruned to eliminate duplicates Z: 11 7.375 1.729 0.509 0.601 0.900 0.400 CB 0.902 9 residues pruned to eliminate duplicates Z: 10 9.687 1.794 0.540 0.893 1.000 0.889 CB 0.839 10 residues pruned to eliminate duplicates Z: 11 8.025 1.700 0.555 0.749 0.900 0.500 CB 0.854 11 residues pruned to eliminate duplicates Z: 16 11.037 1.713 0.765 0.721 1.000 0.800 CB 0.772 15 residues pruned to eliminate duplicates Z: 18 10.284 1.759 0.680 0.936 1.000 0.882 CB 0.588 18 residues pruned to eliminate duplicates Z: 14 10.580 1.885 0.697 0.741 0.846 0.769 CB 0.874 14 residues pruned to eliminate duplicates Z: 17 9.798 1.856 0.658 0.777 0.812 0.688 CB 0.767 17 residues pruned to eliminate duplicates Z: 11 10.410 1.923 0.640 0.834 0.900 0.900 CB 0.869 11 residues pruned to eliminate duplicates Z: 8 13.705 2.040 0.727 0.757 1.000 0.857 CB 1.170 8 residues pruned to eliminate duplicates Z: 11 11.709 1.922 0.765 0.806 0.900 0.700 CB 0.928 11 residues pruned to eliminate duplicates Z: 11 11.672 1.965 0.858 0.813 0.900 0.900 CB 0.856 11 residues pruned to eliminate duplicates Z: 18 11.374 1.827 0.782 0.671 0.765 0.588 CB 0.946 18 residues pruned to eliminate duplicates Z: 19 11.046 1.785 0.609 0.690 0.833 0.611 CB 0.914 19 residues pruned to eliminate duplicates Z: 23 15.257 1.804 0.823 0.781 0.955 0.682 CB 0.809 23 residues pruned to eliminate duplicates Z: 10 14.888 1.970 0.981 0.904 1.000 1.000 CB 0.906 10 residues pruned to eliminate duplicates Z: 21 9.598 1.815 0.836 0.735 0.800 0.450 CB 0.652 21 residues pruned to eliminate duplicates Z: 11 7.973 1.807 0.278 0.617 0.800 0.400 CB 1.221 11 residues pruned to eliminate duplicates Z: 22 13.463 1.836 0.658 0.685 0.857 0.571 CB 0.950 22 residues pruned to eliminate duplicates Z: 23 13.615 1.845 0.744 0.729 0.864 0.636 CB 0.850 23 residues pruned to eliminate duplicates Z: 24 13.985 1.814 0.837 0.701 0.870 0.609 CB 0.838 24 residues pruned to eliminate duplicates Z: 13 7.377 1.798 0.300 0.508 0.750 0.417 CB 1.204 13 residues pruned to eliminate duplicates Z: 12 9.020 1.778 0.602 0.440 0.727 0.455 CB 1.396 12 residues pruned to eliminate duplicates Z: 10 8.381 1.816 0.424 0.659 0.778 0.667 CB 1.198 10 residues pruned to eliminate duplicates Z: 33 11.638 1.764 0.460 0.618 0.781 0.531 CB 0.915 33 residues pruned to eliminate duplicates Z: 28 14.300 1.802 0.660 0.635 0.889 0.630 CB 0.911 28 residues pruned to eliminate duplicates Z: 11 7.420 1.810 0.431 0.550 0.800 0.600 CB 1.078 11 residues pruned to eliminate duplicates Z: 30 14.525 1.814 0.521 0.626 0.862 0.621 CB 1.007 30 residues pruned to eliminate duplicates Z: 50 20.924 1.755 0.663 0.624 0.898 0.592 CB 1.015 50 residues pruned to eliminate duplicates Z: 14 11.615 1.721 0.737 0.771 0.923 0.385 CB 0.919 14 residues pruned to eliminate duplicates Z: 31 11.587 1.781 0.533 0.637 0.833 0.533 CB 0.817 31 residues pruned to eliminate duplicates Z: 17 9.851 1.672 0.494 0.485 0.875 0.625 CB 1.144 17 residues pruned to eliminate duplicates Z: 14 3.915 1.648 0.221 0.303 0.846 0.462 CB 0.794 14 residues pruned to eliminate duplicates Z: 18 9.085 1.668 0.556 0.503 0.824 0.647 CB 1.028 18 residues pruned to eliminate duplicates Z: 10 3.998 1.694 0.315 0.343 0.889 0.556 CB 0.799 10 residues pruned to eliminate duplicates Z: 38 11.544 1.702 0.511 0.477 0.703 0.486 CB 1.075 38 residues pruned to eliminate duplicates Z: 13 8.075 1.766 0.463 0.548 0.917 0.500 CB 0.939 13 residues pruned to eliminate duplicates Z: 21 10.863 1.686 0.466 0.487 1.000 0.650 CB 0.996 21 residues pruned to eliminate duplicates Z: 18 9.300 1.641 0.708 0.415 0.882 0.588 CB 0.996 18 residues pruned to eliminate duplicates Z: 14 10.848 1.679 0.445 0.637 0.923 0.615 CB 1.181 14 residues pruned to eliminate duplicates Z: 28 12.303 1.717 0.368 0.631 0.889 0.667 CB 1.003 28 residues pruned to eliminate duplicates Z: 9 8.376 1.753 0.337 0.697 0.750 0.625 CB 1.407 9 residues pruned to eliminate duplicates Z: 13 10.824 1.651 0.427 0.680 0.917 0.583 CB 1.226 13 residues pruned to eliminate duplicates Z: 15 19.604 1.859 0.732 0.890 1.000 0.786 CB 1.170 15 residues pruned to eliminate duplicates Z: 17 18.799 1.795 0.723 0.800 1.000 0.562 CB 1.169 17 residues pruned to eliminate duplicates Z: 24 16.414 1.798 0.671 0.659 0.870 0.565 CB 1.131 24 residues pruned to eliminate duplicates Z: 16 18.927 1.813 0.697 0.783 0.933 0.733 CB 1.326 16 residues pruned to eliminate duplicates Z: 19 14.941 1.782 0.578 0.771 0.833 0.444 CB 1.182 19 residues pruned to eliminate duplicates Z: 20 20.356 1.796 0.794 0.814 0.895 0.526 CB 1.232 20 residues pruned to eliminate duplicates Z: 18 19.810 1.852 0.775 0.864 0.824 0.471 CB 1.300 20 residues pruned to eliminate duplicates Z: 19 25.501 1.885 0.817 0.857 0.944 0.667 CB 1.369 18 residues pruned to eliminate duplicates Z: 13 14.068 1.794 0.777 0.836 0.750 0.500 CB 1.271 13 residues pruned to eliminate duplicates Z: 15 16.036 1.793 1.022 0.803 0.786 0.571 CB 1.155 15 residues pruned to eliminate duplicates Z: 19 22.163 1.823 0.827 0.886 0.944 0.444 CB 1.198 19 residues pruned to eliminate duplicates Z: 12 18.631 1.801 0.954 0.893 0.909 0.545 CB 1.260 12 residues pruned to eliminate duplicates Z: 18 17.719 1.798 0.946 0.837 0.941 0.529 CB 0.976 18 residues pruned to eliminate duplicates Z: 8 5.158 1.540 0.244 0.428 1.000 0.571 N 1.096 8 residues pruned to eliminate duplicates Z: 22 20.775 1.844 0.713 0.858 0.905 0.762 CB 1.169 22 residues pruned to eliminate duplicates Z: 24 22.686 1.845 0.661 0.849 0.957 0.826 CB 1.196 23 residues pruned to eliminate duplicates Z: 17 20.465 1.804 0.757 0.878 0.938 0.938 CB 1.250 17 residues pruned to eliminate duplicates Z: 20 23.559 1.959 0.771 0.883 0.842 0.789 CB 1.338 20 residues pruned to eliminate duplicates Z: 21 22.694 1.979 0.752 0.854 0.850 0.800 CB 1.271 21 residues pruned to eliminate duplicates Z: 21 21.345 1.996 0.741 0.810 0.850 0.550 CB 1.233 21 residues pruned to eliminate duplicates Z: 32 20.433 1.874 0.570 0.674 0.871 0.645 CB 1.220 32 residues pruned to eliminate duplicates Z: 21 23.020 1.940 0.677 0.826 0.900 0.700 CB 1.326 21 residues pruned to eliminate duplicates Z: 25 24.407 1.931 0.594 0.730 0.917 0.750 CB 1.435 25 residues pruned to eliminate duplicates Z: 48 30.661 1.873 0.575 0.718 0.957 0.660 CB 1.299 47 residues pruned to eliminate duplicates Z: 21 21.666 1.854 0.697 0.800 0.900 0.600 CB 1.316 21 residues pruned to eliminate duplicates Z: 19 27.773 2.034 0.901 0.855 0.944 0.778 CB 1.323 19 residues pruned to eliminate duplicates Z: 35 26.045 1.913 0.639 0.753 0.853 0.676 CB 1.333 35 residues pruned to eliminate duplicates Z: 14 16.854 1.905 0.950 0.682 0.846 0.615 CB 1.258 14 residues pruned to eliminate duplicates Z: 24 17.133 1.867 0.752 0.544 0.826 0.565 CB 1.266 24 residues pruned to eliminate duplicates Z: 21 30.240 2.018 0.801 0.788 1.000 0.700 CB 1.444 21 residues pruned to eliminate duplicates Z: 19 26.477 2.044 0.905 0.833 0.944 0.833 CB 1.273 19 residues pruned to eliminate duplicates Z: 22 17.158 1.943 0.717 0.608 0.762 0.476 CB 1.330 22 residues pruned to eliminate duplicates Z: 28 23.792 1.950 0.796 0.719 0.815 0.741 CB 1.317 28 residues pruned to eliminate duplicates Z: 34 28.827 1.960 0.570 0.798 0.909 0.758 CB 1.382 34 residues pruned to eliminate duplicates Z: 26 18.037 1.936 0.600 0.665 0.800 0.600 CB 1.249 26 residues pruned to eliminate duplicates Z: 37 30.648 1.929 0.794 0.798 0.917 0.778 CB 1.240 37 residues pruned to eliminate duplicates Z: 28 23.863 1.959 0.689 0.777 0.889 0.741 CB 1.223 28 residues pruned to eliminate duplicates Z: 12 7.766 1.614 0.681 0.483 0.727 0.636 CB 1.208 12 residues pruned to eliminate duplicates Z: 44 28.431 1.891 0.619 0.702 0.907 0.721 CB 1.299 44 residues pruned to eliminate duplicates Z: 27 24.621 1.964 0.654 0.720 0.885 0.692 CB 1.377 27 residues pruned to eliminate duplicates Z: 50 24.849 1.838 0.576 0.644 0.898 0.531 CB 1.193 50 residues pruned to eliminate duplicates Z: 33 19.345 1.846 0.637 0.654 0.844 0.531 CB 1.163 33 residues pruned to eliminate duplicates Z: 50 31.167 1.922 0.660 0.741 0.939 0.694 CB 1.198 50 residues pruned to eliminate duplicates Z: 38 24.536 1.898 0.730 0.666 0.811 0.568 CB 1.299 38 residues pruned to eliminate duplicates Z: 18 19.832 1.871 0.858 0.775 0.941 0.647 CB 1.153 18 residues pruned to eliminate duplicates Z: 30 21.592 1.841 0.739 0.700 0.931 0.552 CB 1.120 30 residues pruned to eliminate duplicates Z: 46 29.746 1.870 0.727 0.725 0.889 0.556 CB 1.261 46 residues pruned to eliminate duplicates Z: 36 27.907 1.824 0.897 0.670 0.943 0.543 CB 1.236 36 residues pruned to eliminate duplicates Z: 12 7.854 1.652 0.275 0.575 0.818 0.636 O 1.279 12 residues pruned to eliminate duplicates Z: 46 22.148 1.799 0.618 0.615 0.822 0.556 CB 1.238 46 residues pruned to eliminate duplicates Z: 21 22.957 1.890 0.515 0.814 1.000 0.800 CB 1.364 21 residues pruned to eliminate duplicates Z: 45 29.482 1.902 0.677 0.764 0.886 0.705 CB 1.243 45 residues pruned to eliminate duplicates Z: 36 20.982 1.842 0.574 0.595 0.914 0.571 CB 1.221 36 residues pruned to eliminate duplicates Z: 12 5.088 1.729 0.220 0.305 0.727 0.364 CB 1.243 12 residues pruned to eliminate duplicates Z: 29 14.737 1.738 0.505 0.513 0.893 0.500 CB 1.177 29 residues pruned to eliminate duplicates Z: 31 17.195 1.847 0.653 0.534 0.867 0.533 CB 1.147 31 residues pruned to eliminate duplicates Z: 46 23.708 1.870 0.627 0.631 0.844 0.556 CB 1.216 46 residues pruned to eliminate duplicates Z: 50 28.617 1.870 0.739 0.749 0.796 0.551 CB 1.265 50 residues pruned to eliminate duplicates Z: 19 9.123 1.706 0.746 0.391 0.778 0.389 CB 1.042 19 residues pruned to eliminate duplicates Z: 47 31.352 1.920 0.661 0.742 0.935 0.696 CB 1.248 47 residues pruned to eliminate duplicates Z: 34 17.431 1.861 0.413 0.611 0.909 0.667 CB 1.142 34 residues pruned to eliminate duplicates Z: 13 5.074 1.750 0.259 0.360 0.750 0.333 CB 1.030 13 residues pruned to eliminate duplicates Z: 9 14.777 1.968 0.668 0.626 1.000 0.625 CB 1.414 9 residues pruned to eliminate duplicates Z: 15 10.937 1.886 0.691 0.723 1.000 0.857 CB 0.749 15 residues pruned to eliminate duplicates Z: 16 12.664 1.848 0.431 0.737 0.933 0.600 CB 1.071 16 residues pruned to eliminate duplicates Z: 52 26.665 1.825 0.687 0.643 0.824 0.569 CB 1.288 52 residues pruned to eliminate duplicates Z: 21 19.742 1.959 0.753 0.728 0.900 0.600 CB 1.163 18 residues pruned to eliminate duplicates Z: 17 26.181 2.020 0.998 0.939 1.000 0.938 CB 1.127 20 residues pruned to eliminate duplicates Z: 16 22.508 1.967 0.986 0.889 0.933 0.600 CB 1.148 16 residues pruned to eliminate duplicates Z: 22 19.982 1.901 0.839 0.699 0.905 0.571 CB 1.149 22 residues pruned to eliminate duplicates Z: 21 19.196 1.971 0.601 0.755 0.950 0.700 CB 1.141 21 residues pruned to eliminate duplicates Z: 29 23.949 1.910 0.750 0.677 0.929 0.536 CB 1.239 32 residues pruned to eliminate duplicates Z: 17 27.686 1.985 1.114 0.867 0.938 0.812 CB 1.288 17 residues pruned to eliminate duplicates Z: 19 26.637 1.953 1.138 0.836 1.000 0.667 CB 1.126 19 residues pruned to eliminate duplicates Z: 19 24.397 1.981 1.123 0.794 0.944 0.500 CB 1.119 19 residues pruned to eliminate duplicates Z: 71 37.033 1.917 0.705 0.704 0.900 0.657 CB 1.250 71 residues pruned to eliminate duplicates Z: 29 21.878 1.929 0.912 0.739 0.857 0.357 CB 1.056 29 residues pruned to eliminate duplicates Z: 36 24.945 1.891 0.960 0.804 0.914 0.486 CB 0.954 36 residues pruned to eliminate duplicates Z: 17 17.461 2.006 0.982 0.735 0.812 0.625 CB 1.094 17 residues pruned to eliminate duplicates Z: 38 26.883 1.901 0.928 0.769 0.919 0.459 CB 1.034 38 residues pruned to eliminate duplicates Z: 47 30.734 1.895 0.774 0.716 0.913 0.543 CB 1.215 47 residues pruned to eliminate duplicates Z: 39 21.619 1.871 0.701 0.623 0.895 0.632 CB 1.097 39 residues pruned to eliminate duplicates Z: 33 26.031 1.987 0.848 0.736 0.906 0.656 CB 1.118 33 residues pruned to eliminate duplicates Z: 31 18.386 1.893 0.781 0.598 0.833 0.467 CB 1.089 31 residues pruned to eliminate duplicates Z: 32 26.975 1.911 0.717 0.769 0.935 0.516 CB 1.244 32 residues pruned to eliminate duplicates Z: 10 12.925 1.960 0.516 0.689 1.000 0.333 CB 1.219 10 residues pruned to eliminate duplicates Z: 53 28.976 1.838 0.818 0.705 0.904 0.577 CB 1.104 53 residues pruned to eliminate duplicates Z: 33 26.363 1.922 0.939 0.720 0.906 0.500 CB 1.131 33 residues pruned to eliminate duplicates Z: 36 31.696 1.963 0.866 0.788 0.943 0.486 CB 1.204 36 residues pruned to eliminate duplicates Z: 37 31.682 1.922 0.849 0.749 0.944 0.667 CB 1.260 37 residues pruned to eliminate duplicates Z: 16 16.392 1.837 0.678 0.692 0.800 0.400 CB 1.440 16 residues pruned to eliminate duplicates Z: 37 30.009 1.918 0.908 0.781 0.917 0.722 CB 1.164 37 residues pruned to eliminate duplicates Z: 83 41.486 1.917 0.686 0.739 0.927 0.598 CB 1.234 83 residues pruned to eliminate duplicates Z: 18 21.415 1.957 0.480 0.752 1.000 0.471 CB 1.432 18 residues pruned to eliminate duplicates Z: 36 32.014 1.981 0.818 0.821 0.914 0.657 CB 1.245 36 residues pruned to eliminate duplicates Z: 64 32.949 1.928 0.653 0.737 0.905 0.683 CB 1.164 64 residues pruned to eliminate duplicates Z: 36 33.930 1.952 0.922 0.821 0.943 0.514 CB 1.228 36 residues pruned to eliminate duplicates Z: 42 28.050 1.897 0.895 0.688 0.927 0.512 CB 1.106 42 residues pruned to eliminate duplicates Z: 6 2.581 1.445 0.243 0.270 1.000 0.400 CB 0.834 6 residues pruned to eliminate duplicates Z: 23 19.135 1.854 0.509 0.691 0.909 0.545 CB 1.347 23 residues pruned to eliminate duplicates Z: 52 27.961 1.872 0.602 0.646 0.941 0.490 CB 1.210 52 residues pruned to eliminate duplicates 9 1.359 1.560 0.414 0.289 0.375 0.250 CB 0.736 ? Z: 40 20.537 1.872 0.827 0.649 0.821 0.410 CB 1.020 40 residues pruned to eliminate duplicates Z: 33 21.531 1.891 0.593 0.697 0.875 0.438 CB 1.206 33 residues pruned to eliminate duplicates Z: 28 14.677 1.755 0.487 0.527 0.852 0.519 CB 1.238 28 residues pruned to eliminate duplicates Z: 53 27.322 1.835 0.810 0.698 0.865 0.423 CB 1.100 53 residues pruned to eliminate duplicates Z: 50 24.870 1.883 0.675 0.629 0.898 0.571 CB 1.111 50 residues pruned to eliminate duplicates Z: 12 14.683 2.038 0.188 0.742 0.909 0.727 CB 1.620 12 residues pruned to eliminate duplicates Z: 57 29.639 1.927 0.719 0.693 0.893 0.589 CB 1.123 57 residues pruned to eliminate duplicates Z: 31 19.779 1.792 0.599 0.673 0.967 0.733 CB 1.112 31 residues pruned to eliminate duplicates Z: 23 17.725 1.885 0.582 0.664 0.864 0.636 CB 1.261 23 residues pruned to eliminate duplicates Z: 17 19.927 1.854 0.750 0.758 1.000 0.625 CB 1.221 17 residues pruned to eliminate duplicates Z: 24 16.539 1.842 0.631 0.611 0.913 0.478 CB 1.132 24 residues pruned to eliminate duplicates Z: 46 24.773 1.851 0.619 0.681 0.867 0.600 CB 1.204 46 residues pruned to eliminate duplicates Z: 18 27.255 2.035 0.601 0.918 1.000 0.765 CB 1.431 18 residues pruned to eliminate duplicates Z: 62 36.684 1.909 0.816 0.724 0.934 0.574 CB 1.184 62 residues pruned to eliminate duplicates Z: 44 27.084 1.908 0.597 0.703 0.930 0.535 CB 1.211 44 residues pruned to eliminate duplicates Z: 25 22.323 1.920 0.684 0.733 0.917 0.500 CB 1.247 25 residues pruned to eliminate duplicates Z: 25 19.111 1.905 0.706 0.741 0.833 0.625 CB 1.161 25 residues pruned to eliminate duplicates Z: 61 32.850 1.929 0.755 0.735 0.917 0.467 CB 1.106 61 residues pruned to eliminate duplicates Z: 18 28.390 2.028 0.760 0.869 1.000 0.706 CB 1.409 18 residues pruned to eliminate duplicates Z: 37 26.004 1.879 0.435 0.802 0.917 0.861 CB 1.346 37 residues pruned to eliminate duplicates Z: 20 23.879 2.009 0.708 0.831 0.947 0.789 CB 1.267 20 residues pruned to eliminate duplicates Z: 20 25.029 1.970 0.940 0.828 0.895 0.632 CB 1.265 20 residues pruned to eliminate duplicates Z: 97 37.718 1.924 0.601 0.703 0.896 0.667 CB 1.160 97 residues pruned to eliminate duplicates Z: 28 14.328 1.879 0.162 0.633 0.889 0.444 CB 1.254 28 residues pruned to eliminate duplicates Z: 14 8.591 1.736 0.243 0.508 0.846 0.692 CB 1.295 14 residues pruned to eliminate duplicates Z: 16 12.686 1.949 0.242 0.732 0.867 0.733 CB 1.267 16 residues pruned to eliminate duplicates Z: 19 13.859 1.835 0.341 0.688 0.889 0.556 CB 1.257 19 residues pruned to eliminate duplicates Z: 62 30.010 1.891 0.535 0.665 0.918 0.623 CB 1.238 62 residues pruned to eliminate duplicates Z: 29 26.604 1.899 0.719 0.697 0.929 0.571 CB 1.385 29 residues pruned to eliminate duplicates Z: 52 31.135 1.938 0.568 0.705 0.941 0.686 CB 1.265 52 residues pruned to eliminate duplicates Z: 99 42.887 1.920 0.639 0.697 0.949 0.684 CB 1.212 99 residues pruned to eliminate duplicates Z: 58 32.883 1.933 0.626 0.699 0.947 0.632 CB 1.220 58 residues pruned to eliminate duplicates Z: 20 19.391 1.796 0.430 0.901 1.000 0.842 CB 1.236 20 residues pruned to eliminate duplicates Z: 24 16.968 1.923 0.312 0.715 1.000 0.652 CB 1.154 24 residues pruned to eliminate duplicates Z: 97 42.278 1.909 0.730 0.712 0.885 0.521 CB 1.217 97 residues pruned to eliminate duplicates Z: 25 16.157 1.959 0.237 0.741 0.875 0.750 CB 1.253 25 residues pruned to eliminate duplicates Z: 35 23.580 1.952 0.414 0.743 0.941 0.735 CB 1.252 35 residues pruned to eliminate duplicates Z: 51 24.853 1.886 0.504 0.683 0.920 0.620 CB 1.139 51 residues pruned to eliminate duplicates Z: 23 15.989 1.929 0.427 0.704 0.864 0.591 CB 1.190 23 residues pruned to eliminate duplicates Z: 84 33.416 1.893 0.641 0.649 0.904 0.578 CB 1.137 84 residues pruned to eliminate duplicates Z: 82 42.688 1.939 0.704 0.708 0.938 0.568 CB 1.267 82 residues pruned to eliminate duplicates Z: 42 25.442 1.913 0.621 0.718 0.902 0.634 CB 1.165 38 residues pruned to eliminate duplicates Z: 17 17.988 1.916 0.820 0.867 0.938 0.875 CB 1.007 18 residues pruned to eliminate duplicates Z: 13 12.597 1.879 0.365 0.766 0.917 0.750 CB 1.221 13 residues pruned to eliminate duplicates Z: 35 19.768 1.970 0.298 0.695 0.941 0.676 CB 1.179 35 residues pruned to eliminate duplicates Z: 62 27.465 1.862 0.548 0.634 0.885 0.541 CB 1.215 62 residues pruned to eliminate duplicates Z: 13 16.658 2.015 0.544 0.608 0.917 0.750 CB 1.521 13 residues pruned to eliminate duplicates Z: 52 26.853 1.905 0.505 0.629 0.863 0.569 CB 1.346 52 residues pruned to eliminate duplicates Z: 14 14.684 2.053 0.518 0.588 0.923 0.692 CB 1.301 14 residues pruned to eliminate duplicates Z: 96 41.719 1.931 0.640 0.703 0.937 0.642 CB 1.199 96 residues pruned to eliminate duplicates Z: 19 12.677 1.974 0.236 0.624 0.889 0.667 CB 1.226 19 residues pruned to eliminate duplicates Z: 78 33.208 1.911 0.506 0.677 0.922 0.636 CB 1.213 78 residues pruned to eliminate duplicates Z: 55 28.269 1.886 0.650 0.717 0.889 0.667 CB 1.143 55 residues pruned to eliminate duplicates Z: 48 19.542 1.838 0.543 0.645 0.787 0.574 CB 1.116 48 residues pruned to eliminate duplicates Z: 14 9.324 1.704 0.306 0.698 0.923 0.615 CB 1.051 14 residues pruned to eliminate duplicates Z: 22 16.188 1.868 0.470 0.800 1.000 0.857 CB 0.989 22 residues pruned to eliminate duplicates Z: 17 7.712 1.671 0.445 0.539 0.875 0.688 CB 0.878 17 residues pruned to eliminate duplicates Z: 12 12.721 1.872 0.675 0.845 1.000 0.818 CB 0.909 12 residues pruned to eliminate duplicates Z: 34 17.305 1.805 0.505 0.661 0.909 0.576 CB 1.051 34 residues pruned to eliminate duplicates Z: 13 11.433 1.816 0.548 0.745 0.917 0.667 CB 1.028 13 residues pruned to eliminate duplicates Z: 11 14.417 1.902 0.837 0.822 1.000 0.800 CB 0.987 11 residues pruned to eliminate duplicates Z: 24 21.643 1.938 0.693 0.840 0.913 0.739 CB 1.124 24 residues pruned to eliminate duplicates Z: 12 9.720 1.729 0.712 0.752 1.000 0.818 CB 0.791 12 residues pruned to eliminate duplicates Z: 11 12.014 1.871 0.876 0.830 0.900 0.900 CB 0.904 11 residues pruned to eliminate duplicates Z: 10 11.706 1.850 0.818 0.814 0.889 0.889 CB 0.994 10 residues pruned to eliminate duplicates Z: 24 24.659 1.988 0.851 0.816 0.957 0.652 CB 1.110 24 residues pruned to eliminate duplicates Z: 12 22.283 2.053 0.839 0.820 1.000 0.818 CB 1.348 12 residues pruned to eliminate duplicates Z: 13 18.775 2.157 0.604 0.759 0.917 0.583 CB 1.358 13 residues pruned to eliminate duplicates Z: 25 19.908 1.879 0.748 0.842 0.958 0.792 CB 0.962 25 residues pruned to eliminate duplicates Z: 62 32.757 1.947 0.624 0.707 0.951 0.639 CB 1.156 65 residues pruned to eliminate duplicates Z: 25 29.802 1.970 0.894 0.919 1.000 0.833 CB 1.149 25 residues pruned to eliminate duplicates Z: 23 25.388 2.028 0.812 0.837 0.955 0.591 CB 1.154 23 residues pruned to eliminate duplicates Z: 24 25.032 2.012 0.812 0.811 0.957 0.696 CB 1.141 24 residues pruned to eliminate duplicates Z: 13 17.771 2.093 0.917 0.776 0.917 0.417 CB 1.093 13 residues pruned to eliminate duplicates Z: 12 22.220 2.094 0.980 0.843 1.000 0.727 CB 1.203 12 residues pruned to eliminate duplicates Z: 14 20.009 2.135 0.859 0.825 0.923 0.615 CB 1.143 14 residues pruned to eliminate duplicates Z: 16 19.836 2.101 0.790 0.783 0.933 0.733 CB 1.138 16 residues pruned to eliminate duplicates Z: 21 16.373 2.046 0.832 0.706 0.900 0.600 CB 0.900 21 residues pruned to eliminate duplicates Z: 32 21.881 2.009 0.607 0.735 0.903 0.774 CB 1.091 32 residues pruned to eliminate duplicates Z: 42 31.613 2.000 0.769 0.792 0.927 0.780 CB 1.166 41 residues pruned to eliminate duplicates Z: 21 19.623 1.898 0.531 0.787 0.950 0.600 CB 1.235 19 residues pruned to eliminate duplicates Z: 42 29.688 1.885 0.744 0.848 0.902 0.805 CB 1.159 42 residues pruned to eliminate duplicates Z: 25 23.011 1.987 0.907 0.687 0.833 0.375 CB 1.253 25 residues pruned to eliminate duplicates Z: 40 30.985 1.999 0.769 0.779 0.897 0.692 CB 1.223 40 residues pruned to eliminate duplicates Z: 23 21.392 1.901 0.925 0.622 0.864 0.273 CB 1.286 23 residues pruned to eliminate duplicates Z: 14 14.182 1.972 0.890 0.713 0.846 0.769 CB 1.028 14 residues pruned to eliminate duplicates Z: 28 21.387 1.947 0.613 0.666 0.963 0.593 CB 1.167 42 residues pruned to eliminate duplicates Z: 18 24.451 1.937 0.808 0.889 1.000 0.765 CB 1.218 18 residues pruned to eliminate duplicates Z: 28 22.666 2.040 1.012 0.763 0.889 0.444 CB 0.947 28 residues pruned to eliminate duplicates Z: 41 32.433 1.932 0.916 0.772 0.925 0.525 CB 1.177 41 residues pruned to eliminate duplicates Z: 22 21.525 1.962 0.781 0.772 0.952 0.619 CB 1.109 22 residues pruned to eliminate duplicates Z: 46 32.051 1.939 0.809 0.812 0.978 0.756 CB 1.061 46 residues pruned to eliminate duplicates Z: 46 33.471 1.953 0.844 0.800 0.933 0.689 CB 1.141 46 residues pruned to eliminate duplicates Z: 34 28.343 2.034 0.738 0.814 0.970 0.727 CB 1.096 34 residues pruned to eliminate duplicates Z: 44 26.760 1.935 0.757 0.756 0.907 0.674 CB 1.053 44 residues pruned to eliminate duplicates Z: 22 15.470 1.960 0.778 0.617 0.810 0.429 CB 1.072 22 residues pruned to eliminate duplicates Z: 32 21.932 2.022 0.782 0.734 0.871 0.484 CB 1.017 32 residues pruned to eliminate duplicates Z: 31 28.774 2.025 0.894 0.752 0.967 0.500 CB 1.131 31 residues pruned to eliminate duplicates Z: 40 29.118 1.921 0.741 0.796 0.897 0.436 CB 1.199 40 residues pruned to eliminate duplicates Z: 14 8.908 1.674 0.763 0.544 0.692 0.308 N 1.158 14 residues pruned to eliminate duplicates Z: 40 24.219 1.867 0.809 0.770 0.846 0.462 CB 1.069 40 residues pruned to eliminate duplicates Z: 37 26.439 1.875 0.879 0.724 0.833 0.389 CB 1.227 37 residues pruned to eliminate duplicates Z: 18 16.215 1.790 0.785 0.765 0.824 0.588 CB 1.181 18 residues pruned to eliminate duplicates Z: 38 21.737 1.854 0.715 0.708 0.784 0.351 CB 1.186 38 residues pruned to eliminate duplicates Z: 36 27.580 1.876 0.858 0.717 0.943 0.514 CB 1.166 36 residues pruned to eliminate duplicates Z: 41 20.325 1.822 0.519 0.616 0.875 0.525 CB 1.188 41 residues pruned to eliminate duplicates Z: 30 13.566 1.687 0.545 0.501 0.793 0.517 CB 1.217 10 residues pruned to eliminate duplicates Z: 22 20.891 1.950 0.452 0.833 0.952 0.762 CB 1.268 22 residues pruned to eliminate duplicates Z: 30 16.251 1.758 0.739 0.627 0.793 0.276 N 1.104 28 residues pruned to eliminate duplicates Z: 19 21.121 1.954 0.598 0.883 1.000 0.778 CB 1.152 19 residues pruned to eliminate duplicates Z: 43 22.795 1.843 0.569 0.651 0.881 0.524 CB 1.200 28 residues pruned to eliminate duplicates Z: 21 24.593 2.036 0.534 0.873 1.000 0.850 CB 1.282 14 residues pruned to eliminate duplicates Z: 22 24.841 1.917 0.722 0.891 0.952 0.619 CB 1.240 21 residues pruned to eliminate duplicates Z: 22 21.949 1.926 0.593 0.840 0.952 0.667 CB 1.224 22 residues pruned to eliminate duplicates Z: 17 18.738 2.083 0.614 0.844 0.938 0.688 CB 1.106 17 residues pruned to eliminate duplicates Z: 20 16.993 2.028 0.503 0.743 0.842 0.684 CB 1.222 20 residues pruned to eliminate duplicates Z: 19 20.156 2.066 0.730 0.792 0.889 0.611 CB 1.157 19 residues pruned to eliminate duplicates Z: 19 18.274 2.037 0.656 0.851 0.833 0.611 CB 1.134 19 residues pruned to eliminate duplicates Z: 27 19.033 1.933 0.779 0.625 0.769 0.346 CB 1.255 27 residues pruned to eliminate duplicates Z: 26 23.516 1.956 0.833 0.724 0.880 0.400 CB 1.218 26 residues pruned to eliminate duplicates Z: 21 21.411 2.039 0.934 0.727 0.950 0.550 CB 1.042 21 residues pruned to eliminate duplicates Z: 15 19.023 2.062 0.855 0.773 0.857 0.500 CB 1.218 15 residues pruned to eliminate duplicates Z: 25 23.851 1.933 0.735 0.755 0.917 0.417 CB 1.262 25 residues pruned to eliminate duplicates Z: 20 21.907 1.966 0.933 0.830 0.947 0.474 CB 1.050 20 residues pruned to eliminate duplicates Z: 31 17.970 1.846 0.682 0.633 0.900 0.467 CB 1.036 31 residues pruned to eliminate duplicates Z: 31 21.778 1.986 0.534 0.760 0.933 0.600 CB 1.110 31 residues pruned to eliminate duplicates Z: 20 21.940 2.047 0.873 0.872 0.895 0.632 CB 1.070 20 residues pruned to eliminate duplicates Z: 51 30.689 1.872 0.849 0.731 0.900 0.480 CB 1.131 132 residues pruned to eliminate duplicates Z: 21 19.348 1.679 0.700 0.826 1.000 0.800 CB 1.143 21 residues pruned to eliminate duplicates Z: 31 23.490 1.952 0.883 0.762 0.867 0.467 CB 1.067 31 residues pruned to eliminate duplicates Z: 30 25.054 1.910 0.895 0.744 0.897 0.379 CB 1.152 30 residues pruned to eliminate duplicates Z: 35 25.146 1.920 0.823 0.775 0.853 0.441 CB 1.133 35 residues pruned to eliminate duplicates Z: 16 13.931 1.849 0.529 0.527 0.867 0.267 CB 1.429 16 residues pruned to eliminate duplicates Z: 40 23.946 1.882 0.744 0.674 0.821 0.410 CB 1.213 40 residues pruned to eliminate duplicates Z: 40 24.711 1.880 0.765 0.700 0.846 0.385 CB 1.175 40 residues pruned to eliminate duplicates Z: 30 24.324 1.946 0.741 0.757 0.897 0.483 CB 1.183 30 residues pruned to eliminate duplicates 751 residues left after pruning, divided into chains as follows: A: 14 B: 9 C: 13 D: 9 E: 35 F: 18 G: 34 H: 35 I: 42 J: 37 K: 62 L: 39 M: 62 N: 281 O: 20 P: 41 CC for partial structure against native data = 38.83 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.640, Connect. = 0.714 for dens.mod. cycle 1 = 0.302, Contrast = 0.729, Connect. = 0.742 for dens.mod. cycle 2 = 0.302, Contrast = 0.869, Connect. = 0.772 for dens.mod. cycle 3 = 0.302, Contrast = 0.880, Connect. = 0.772 for dens.mod. cycle 4 = 0.302, Contrast = 0.891, Connect. = 0.772 for dens.mod. cycle 5 = 0.302, Contrast = 0.890, Connect. = 0.773 for dens.mod. cycle 6 = 0.302, Contrast = 0.891, Connect. = 0.774 for dens.mod. cycle 7 = 0.302, Contrast = 0.889, Connect. = 0.774 for dens.mod. cycle 8 = 0.302, Contrast = 0.887, Connect. = 0.775 for dens.mod. cycle 9 = 0.302, Contrast = 0.884, Connect. = 0.775 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 0.776 0.768 0.780 0.769 0.718 0.653 0.615 0.577 0.495 0.468 0.904 0.879 0.884 0.886 0.844 0.771 0.730 0.677 0.589 0.544 N 4780 4771 4793 4883 4806 4810 4691 5018 4494 4669 Estimated mean FOM = 0.663 Pseudo-free CC = 68.68 % Best trace (cycle 2 with CC 44.48%) was saved as ./2hr2-2.5-parrot-mrncs/2hr2-2.5-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.4 - Setup, data input and phasing 7.1 - FFTs and peak-searches 14.3 - Sphere of influence 0.5 - Rest of density modification 0.0 - Alpha-helix search 670.1 - Tripeptide search 8565.0 - Chain tracing 0.0 - NCS analysis 72.3 - B-value refinement for trace 0.2 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 23:47:48 Total time: 9330.04 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 156.71 Used memory is bytes: 39994024