null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:14:24 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: ./2hi0-1.5-parrot-noncs/2hi0-1.5-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2hi0-1.5-parrot-noncs/2hi0-1.5-parrot-noncs.ins Phases from ./2hi0-1.5-parrot-noncs/2hi0-1.5-parrot-noncs.phi Native data from ./2hi0-1.5-parrot-noncs/2hi0-1.5-parrot-noncs.hkl Listing output to ./2hi0-1.5-parrot-noncs/2hi0-1.5-parrot-noncs.lst Phases output to ./2hi0-1.5-parrot-noncs/2hi0-1.5-parrot-noncs.phs Poly-Ala trace output to ./2hi0-1.5-parrot-noncs/2hi0-1.5-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 21 1 Allowed origin shift code: 2 72257 Reflections read from file ./2hi0-1.5-parrot-noncs/2hi0-1.5-parrot-noncs.phi 72257 Reflections read from file ./2hi0-1.5-parrot-noncs/2hi0-1.5-parrot-noncs.hkl 72257 Unique data, highest resolution = 1.510 Angstroms Anisotropic scaling: intensities multiplied by 0.000057h^2 -0.000154k^2 +0.000033l^2 +0.000000kl +0.000174hl +0.000000hk 36 Reflections with d > 1.710 and 0 in range 1.710 > d > 1.510 added Density sharpening factor set to 1.49 Fourier grid = 128 x 128 x 103 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 40 Extra Fourier layers will be generated <|E^2-1|> = 0.641 ** -f missing ?? ** = 0.274, Contrast = 0.104, Connect. = 0.583 for dens.mod. cycle 1 = 0.300, Contrast = 0.299, Connect. = 0.642 for dens.mod. cycle 2 = 0.300, Contrast = 0.450, Connect. = 0.724 for dens.mod. cycle 3 = 0.300, Contrast = 0.518, Connect. = 0.761 for dens.mod. cycle 4 = 0.300, Contrast = 0.550, Connect. = 0.778 for dens.mod. cycle 5 = 0.300, Contrast = 0.567, Connect. = 0.788 for dens.mod. cycle 6 = 0.300, Contrast = 0.576, Connect. = 0.794 for dens.mod. cycle 7 = 0.300, Contrast = 0.583, Connect. = 0.798 for dens.mod. cycle 8 = 0.300, Contrast = 0.586, Connect. = 0.801 for dens.mod. cycle 9 = 0.300, Contrast = 0.589, Connect. = 0.803 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3407 peaks > 0.5 sigma used to seed fragment search Space for about 512 unique residues taking solvent into account 626 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 32.083 2.382 0.916 0.857 1.000 1.000 CB 1.727 B: 13 28.866 2.302 0.738 0.888 0.917 0.833 CB 1.637 10 residues pruned to eliminate duplicates C: 10 41.359 2.455 1.083 0.924 1.000 1.000 CB 1.893 12 residues pruned to eliminate duplicates D: 12 25.970 2.152 0.776 0.857 0.909 0.909 CB 1.660 E: 17 41.925 2.231 0.829 0.939 1.000 0.938 CB 1.784 F: 25 25.644 2.079 0.896 0.556 0.917 0.625 CB 1.372 G: 13 41.145 2.329 0.902 0.947 1.000 0.917 C 1.853 12 residues pruned to eliminate duplicates H: 18 39.135 2.197 0.744 0.908 1.000 0.941 C 1.759 18 residues pruned to eliminate duplicates I: 9 22.581 2.160 0.745 0.918 1.000 0.875 CB 1.493 J: 17 37.230 2.247 0.600 0.945 1.000 1.000 CA 1.792 17 residues pruned to eliminate duplicates K: 19 29.563 2.057 0.656 0.844 0.944 0.889 CA 1.612 L: 14 17.434 1.851 0.722 0.851 1.000 0.846 CB 1.123 11 residues pruned to eliminate duplicates M: 10 34.533 2.383 1.008 0.849 1.000 0.889 CB 1.784 10 residues pruned to eliminate duplicates N: 18 24.576 2.043 0.565 0.840 0.941 0.882 CA 1.478 18 residues pruned to eliminate duplicates O: 14 21.974 1.880 0.708 0.866 0.923 0.846 CB 1.505 14 residues pruned to eliminate duplicates P: 18 37.913 2.170 0.832 0.912 1.000 0.941 CB 1.638 18 residues pruned to eliminate duplicates Q: 10 24.770 2.293 1.063 0.775 0.889 0.667 CB 1.541 10 residues pruned to eliminate duplicates R: 15 38.207 2.151 0.931 0.918 1.000 0.857 CA 1.733 S: 13 29.060 2.055 0.852 0.933 1.000 1.000 CB 1.538 T: 11 33.829 2.355 0.870 0.890 1.000 1.000 CB 1.747 11 residues pruned to eliminate duplicates U: 16 29.697 2.032 0.821 0.891 0.933 0.867 CA 1.595 16 residues pruned to eliminate duplicates V: 17 39.836 2.196 0.844 0.919 1.000 0.938 CA 1.733 16 residues pruned to eliminate duplicates W: 13 36.051 2.262 1.078 0.882 1.000 0.750 CB 1.603 11 residues pruned to eliminate duplicates X: 15 35.450 2.189 0.736 0.930 1.000 0.929 CB 1.743 14 residues pruned to eliminate duplicates Y: 15 37.701 2.137 1.019 0.914 0.929 0.929 CB 1.778 15 residues pruned to eliminate duplicates Z: 22 37.543 2.093 0.794 0.848 1.000 0.762 CB 1.619 Z: 14 33.903 2.240 0.748 0.932 1.000 1.000 CB 1.678 14 residues pruned to eliminate duplicates Z: 20 35.364 2.109 0.846 0.871 1.000 0.737 CB 1.521 Z: 16 39.578 2.082 1.062 0.902 1.000 0.667 CA 1.698 15 residues pruned to eliminate duplicates Z: 15 33.587 2.199 0.756 0.932 0.929 0.929 CA 1.749 15 residues pruned to eliminate duplicates Z: 17 44.532 2.202 1.068 0.923 1.000 0.938 C 1.719 18 residues pruned to eliminate duplicates Z: 17 48.587 2.136 1.355 0.921 1.000 0.938 CA 1.699 17 residues pruned to eliminate duplicates Z: 19 16.108 1.983 0.786 0.341 0.944 0.556 CB 1.349 4 residues pruned to eliminate duplicates Z: 13 27.884 2.298 0.660 0.880 1.000 0.917 CB 1.529 13 residues pruned to eliminate duplicates Z: 16 41.260 2.224 0.991 0.931 1.000 1.000 CA 1.682 16 residues pruned to eliminate duplicates Z: 15 46.737 2.180 1.308 0.921 1.000 0.714 CA 1.747 15 residues pruned to eliminate duplicates Z: 14 42.432 2.226 1.022 0.909 1.000 0.923 C 1.855 15 residues pruned to eliminate duplicates Z: 16 34.232 2.190 0.722 0.923 1.000 0.933 CA 1.647 16 residues pruned to eliminate duplicates Z: 17 43.625 2.195 1.160 0.914 0.938 0.812 C 1.735 17 residues pruned to eliminate duplicates Z: 7 17.433 1.945 0.699 0.847 1.000 0.833 CB 1.599 7 residues pruned to eliminate duplicates Z: 14 34.035 2.274 0.633 0.913 1.000 0.923 CB 1.799 14 residues pruned to eliminate duplicates Z: 16 31.734 2.055 0.723 0.910 1.000 0.933 CA 1.640 16 residues pruned to eliminate duplicates Z: 14 32.950 2.256 0.634 0.939 1.000 1.000 CB 1.723 14 residues pruned to eliminate duplicates Z: 14 37.323 2.219 0.899 0.929 1.000 1.000 CB 1.719 14 residues pruned to eliminate duplicates Z: 15 31.587 2.185 0.588 0.942 1.000 1.000 CA 1.687 15 residues pruned to eliminate duplicates Z: 13 31.244 2.312 0.924 0.866 0.917 0.750 CB 1.620 13 residues pruned to eliminate duplicates Z: 26 31.806 2.100 0.687 0.748 0.920 0.720 CB 1.564 26 residues pruned to eliminate duplicates Z: 15 48.952 2.210 1.387 0.926 1.000 0.929 CA 1.739 16 residues pruned to eliminate duplicates Z: 14 41.953 2.339 0.874 0.938 1.000 1.000 CA 1.845 14 residues pruned to eliminate duplicates Z: 10 17.050 2.062 0.288 0.861 1.000 1.000 C 1.573 Z: 35 35.955 2.054 0.945 0.748 0.941 0.765 CB 1.315 12 residues pruned to eliminate duplicates Z: 17 44.413 2.278 1.015 0.883 1.000 0.812 CA 1.749 17 residues pruned to eliminate duplicates Z: 42 38.995 2.185 0.915 0.559 0.951 0.707 CB 1.444 21 residues pruned to eliminate duplicates Z: 18 41.426 2.150 0.990 0.881 1.000 0.765 CA 1.700 18 residues pruned to eliminate duplicates Z: 19 45.159 2.268 1.057 0.891 0.944 0.667 CB 1.737 21 residues pruned to eliminate duplicates Z: 46 44.172 2.193 0.936 0.591 0.978 0.667 CB 1.455 46 residues pruned to eliminate duplicates Z: 18 40.948 2.162 1.012 0.897 1.000 0.882 CA 1.635 18 residues pruned to eliminate duplicates Z: 21 38.110 2.130 0.945 0.792 0.950 0.600 CB 1.677 21 residues pruned to eliminate duplicates Z: 19 33.932 2.213 0.811 0.881 0.944 0.667 CB 1.531 19 residues pruned to eliminate duplicates Z: 13 29.157 2.134 0.789 0.886 1.000 0.917 CB 1.591 13 residues pruned to eliminate duplicates Z: 56 45.213 2.193 0.905 0.581 0.909 0.618 CB 1.485 58 residues pruned to eliminate duplicates Z: 18 43.785 2.100 1.152 0.925 1.000 0.824 CA 1.648 18 residues pruned to eliminate duplicates Z: 14 18.270 1.879 0.467 0.870 1.000 0.769 CB 1.341 14 residues pruned to eliminate duplicates Z: 44 36.744 2.105 0.700 0.649 0.977 0.674 CB 1.395 12 residues pruned to eliminate duplicates Z: 12 28.507 2.067 0.804 0.904 1.000 0.636 CA 1.642 13 residues pruned to eliminate duplicates Z: 15 34.610 2.168 0.844 0.896 1.000 0.929 CA 1.657 15 residues pruned to eliminate duplicates Z: 17 42.413 2.233 0.881 0.915 1.000 0.875 CA 1.784 17 residues pruned to eliminate duplicates Z: 14 28.276 2.150 0.655 0.925 0.923 0.923 CA 1.676 14 residues pruned to eliminate duplicates Z: 15 41.084 2.182 1.078 0.930 1.000 0.857 CA 1.693 15 residues pruned to eliminate duplicates Z: 41 33.211 2.124 0.565 0.639 1.000 0.650 CB 1.387 41 residues pruned to eliminate duplicates Z: 13 25.920 2.299 0.637 0.870 0.917 0.750 CB 1.583 13 residues pruned to eliminate duplicates Z: 10 10.058 1.965 0.896 0.335 0.889 0.667 CB 1.213 10 residues pruned to eliminate duplicates Z: 14 33.292 2.208 0.670 0.939 1.000 1.000 CB 1.741 14 residues pruned to eliminate duplicates Z: 21 34.397 2.078 0.856 0.826 0.950 0.650 CB 1.583 20 residues pruned to eliminate duplicates Z: 12 27.497 2.172 0.805 0.859 1.000 0.818 CB 1.556 12 residues pruned to eliminate duplicates Z: 64 40.554 2.090 0.822 0.530 0.889 0.556 CB 1.465 27 residues pruned to eliminate duplicates Z: 17 40.618 2.191 0.993 0.889 1.000 0.938 CA 1.675 17 residues pruned to eliminate duplicates Z: 15 39.596 2.205 0.990 0.927 1.000 0.929 CA 1.690 15 residues pruned to eliminate duplicates Z: 13 27.528 2.146 0.790 0.871 1.000 0.667 CB 1.509 13 residues pruned to eliminate duplicates Z: 9 19.166 2.053 0.537 0.856 1.000 0.875 CA 1.583 9 residues pruned to eliminate duplicates Z: 15 44.411 2.152 1.401 0.904 0.929 0.643 CA 1.762 15 residues pruned to eliminate duplicates Z: 8 14.306 2.158 0.292 0.868 1.000 0.857 CB 1.417 8 residues pruned to eliminate duplicates Z: 9 19.762 2.226 0.461 0.882 1.000 0.875 CA 1.555 10 residues pruned to eliminate duplicates Z: 13 27.690 2.110 0.997 0.876 0.917 0.833 CB 1.503 13 residues pruned to eliminate duplicates Z: 36 22.304 2.149 0.532 0.537 0.886 0.714 CB 1.247 37 residues pruned to eliminate duplicates Z: 18 32.858 2.094 0.838 0.887 0.941 0.824 CB 1.586 18 residues pruned to eliminate duplicates Z: 15 41.232 2.177 1.128 0.884 1.000 0.786 CA 1.719 15 residues pruned to eliminate duplicates Z: 14 48.005 2.255 1.287 0.932 1.000 0.846 CB 1.803 13 residues pruned to eliminate duplicates Z: 12 26.055 2.158 0.657 0.858 1.000 0.909 CB 1.618 12 residues pruned to eliminate duplicates Z: 18 45.130 2.223 1.061 0.869 1.000 0.824 CB 1.745 18 residues pruned to eliminate duplicates Z: 12 27.042 2.168 0.739 0.875 1.000 0.909 CB 1.573 12 residues pruned to eliminate duplicates Z: 20 36.572 2.105 0.726 0.884 1.000 0.737 CB 1.669 20 residues pruned to eliminate duplicates Z: 60 49.502 2.152 0.966 0.583 0.966 0.627 CB 1.456 60 residues pruned to eliminate duplicates Z: 13 25.402 2.077 0.627 0.902 1.000 0.917 CB 1.548 13 residues pruned to eliminate duplicates Z: 12 24.647 2.168 0.625 0.878 1.000 0.818 CB 1.531 12 residues pruned to eliminate duplicates Z: 9 18.398 2.172 0.452 0.853 1.000 1.000 CA 1.524 9 residues pruned to eliminate duplicates Z: 10 22.264 2.137 0.498 0.939 1.000 1.000 CA 1.610 10 residues pruned to eliminate duplicates Z: 13 20.877 1.962 0.614 0.905 1.000 0.833 CB 1.354 Z: 9 7.161 1.882 0.089 0.771 0.875 0.500 CB 1.111 Z: 10 19.545 2.102 0.402 0.898 1.000 0.778 CA 1.581 10 residues pruned to eliminate duplicates Z: 9 12.029 1.975 0.355 0.831 0.875 0.625 CA 1.364 8 residues pruned to eliminate duplicates Z: 14 37.593 2.237 0.845 0.929 1.000 1.000 CB 1.768 14 residues pruned to eliminate duplicates Z: 10 16.863 2.012 0.382 0.850 1.000 0.778 C 1.498 10 residues pruned to eliminate duplicates Z: 12 24.689 2.150 0.610 0.865 1.000 0.727 CB 1.575 12 residues pruned to eliminate duplicates Z: 17 44.732 2.270 1.055 0.888 1.000 0.812 CA 1.726 17 residues pruned to eliminate duplicates Z: 15 33.191 2.147 0.751 0.929 1.000 1.000 CA 1.651 15 residues pruned to eliminate duplicates Z: 8 7.718 1.996 0.026 0.831 0.857 0.857 CB 1.249 8 residues pruned to eliminate duplicates Z: 10 15.442 2.077 0.260 0.854 1.000 0.889 C 1.452 10 residues pruned to eliminate duplicates Z: 11 24.703 2.111 0.700 0.889 1.000 0.800 CB 1.567 11 residues pruned to eliminate duplicates Z: 12 27.531 2.167 0.793 0.848 1.000 0.909 CB 1.584 12 residues pruned to eliminate duplicates Z: 17 44.453 2.179 1.050 0.943 1.000 0.875 C 1.724 17 residues pruned to eliminate duplicates Z: 57 37.960 2.068 0.665 0.616 0.964 0.750 CB 1.369 44 residues pruned to eliminate duplicates Z: 103 67.600 2.103 0.908 0.663 0.971 0.765 CB 1.477 80 residues pruned to eliminate duplicates Z: 13 23.920 2.011 0.703 0.860 0.917 0.667 CB 1.617 13 residues pruned to eliminate duplicates Z: 14 36.420 2.234 0.786 0.932 1.000 0.923 CB 1.768 14 residues pruned to eliminate duplicates Z: 15 37.480 2.138 1.050 0.887 1.000 0.929 CA 1.647 15 residues pruned to eliminate duplicates Z: 13 19.672 2.059 0.514 0.840 0.917 0.667 CB 1.483 13 residues pruned to eliminate duplicates Z: 55 37.470 2.028 0.735 0.593 0.963 0.611 CB 1.376 57 residues pruned to eliminate duplicates Z: 13 24.486 1.994 0.800 0.868 1.000 0.750 CB 1.440 13 residues pruned to eliminate duplicates Z: 68 44.002 2.099 0.993 0.526 0.896 0.642 CB 1.399 68 residues pruned to eliminate duplicates Z: 10 19.932 2.031 0.533 0.854 1.000 0.778 CB 1.576 10 residues pruned to eliminate duplicates Z: 17 46.456 2.239 1.184 0.892 1.000 0.875 CA 1.706 17 residues pruned to eliminate duplicates Z: 9 16.676 2.084 0.555 0.905 1.000 0.750 CB 1.294 9 residues pruned to eliminate duplicates Z: 10 7.852 1.879 0.768 0.434 0.889 0.778 CB 0.950 10 residues pruned to eliminate duplicates Z: 14 47.583 2.316 1.237 0.925 1.000 0.769 CB 1.788 14 residues pruned to eliminate duplicates Z: 13 27.047 2.112 0.721 0.913 1.000 0.833 CB 1.521 13 residues pruned to eliminate duplicates Z: 37 31.821 2.050 0.756 0.707 0.889 0.778 CB 1.373 37 residues pruned to eliminate duplicates Z: 8 19.457 2.066 0.831 0.840 1.000 1.000 CB 1.450 8 residues pruned to eliminate duplicates Z: 17 44.886 2.247 0.971 0.910 1.000 0.875 CA 1.796 17 residues pruned to eliminate duplicates Z: 9 15.109 2.065 0.351 0.860 1.000 0.625 CA 1.408 Z: 22 29.709 2.016 0.702 0.849 0.952 0.667 CB 1.471 22 residues pruned to eliminate duplicates Z: 9 14.619 2.053 0.244 0.882 1.000 0.875 CA 1.464 9 residues pruned to eliminate duplicates Z: 10 29.621 2.282 1.200 0.821 1.000 0.778 CB 1.489 10 residues pruned to eliminate duplicates Z: 9 19.073 2.235 0.466 0.834 1.000 1.000 CA 1.543 9 residues pruned to eliminate duplicates Z: 18 32.549 2.210 0.593 0.899 1.000 0.941 CB 1.603 18 residues pruned to eliminate duplicates Z: 22 35.338 1.993 0.833 0.807 1.000 0.714 CB 1.616 20 residues pruned to eliminate duplicates Z: 12 11.636 1.745 0.448 0.864 0.909 0.818 CB 1.120 Z: 10 16.326 2.085 0.158 0.929 1.000 1.000 CA 1.578 10 residues pruned to eliminate duplicates Z: 10 12.159 1.973 0.164 0.902 1.000 0.667 CA 1.259 9 residues pruned to eliminate duplicates Z: 13 23.358 1.976 0.829 0.883 1.000 0.833 CB 1.348 13 residues pruned to eliminate duplicates Z: 76 49.727 2.099 0.868 0.635 0.907 0.653 CB 1.422 51 residues pruned to eliminate duplicates Z: 18 32.292 2.091 0.909 0.853 0.941 0.824 CA 1.541 18 residues pruned to eliminate duplicates Z: 9 18.353 2.042 0.520 0.906 1.000 0.875 CB 1.486 9 residues pruned to eliminate duplicates Z: 9 21.326 2.043 0.730 0.880 1.000 1.000 CA 1.545 9 residues pruned to eliminate duplicates Z: 9 18.436 1.960 0.591 0.859 1.000 0.875 CA 1.537 9 residues pruned to eliminate duplicates Z: 17 37.842 2.151 1.058 0.880 0.938 0.938 CA 1.651 17 residues pruned to eliminate duplicates Z: 13 20.931 1.989 0.656 0.833 0.917 0.750 CB 1.501 13 residues pruned to eliminate duplicates Z: 12 24.645 2.121 0.803 0.883 0.909 0.909 CB 1.546 12 residues pruned to eliminate duplicates Z: 12 13.014 1.753 0.450 0.863 1.000 0.818 CB 1.133 12 residues pruned to eliminate duplicates Z: 13 21.571 2.005 0.634 0.886 1.000 0.750 CB 1.371 13 residues pruned to eliminate duplicates Z: 10 31.193 2.340 1.029 0.822 1.000 0.889 CB 1.657 10 residues pruned to eliminate duplicates Z: 13 18.717 1.958 0.452 0.864 1.000 0.750 CB 1.393 13 residues pruned to eliminate duplicates Z: 11 27.776 2.143 0.851 0.924 1.000 1.000 CB 1.555 11 residues pruned to eliminate duplicates Z: 15 41.275 2.201 1.156 0.925 0.929 0.857 CA 1.757 15 residues pruned to eliminate duplicates Z: 17 41.423 2.139 1.067 0.900 1.000 0.875 CA 1.673 17 residues pruned to eliminate duplicates Z: 17 41.151 2.136 1.239 0.877 0.938 0.875 CA 1.666 17 residues pruned to eliminate duplicates Z: 13 25.367 2.000 0.811 0.905 1.000 0.917 CB 1.440 13 residues pruned to eliminate duplicates Z: 11 7.711 2.034 0.485 0.390 0.900 0.700 CB 1.008 Z: 13 25.619 1.970 0.821 0.910 1.000 0.917 CA 1.462 13 residues pruned to eliminate duplicates Z: 15 47.987 2.156 1.403 0.917 1.000 0.857 CA 1.747 15 residues pruned to eliminate duplicates Z: 19 37.697 2.229 0.852 0.878 1.000 0.833 CB 1.562 19 residues pruned to eliminate duplicates Z: 18 31.975 2.155 0.586 0.869 1.000 0.765 CB 1.658 18 residues pruned to eliminate duplicates Z: 9 20.273 2.074 0.692 0.853 1.000 0.875 CB 1.509 9 residues pruned to eliminate duplicates Z: 14 21.473 2.066 0.809 0.821 0.769 0.615 CB 1.568 14 residues pruned to eliminate duplicates Z: 39 41.643 2.199 0.862 0.637 0.947 0.632 CB 1.532 39 residues pruned to eliminate duplicates Z: 6 10.032 1.945 1.062 0.452 0.800 0.600 CB 1.469 6 residues pruned to eliminate duplicates Z: 10 11.510 1.975 0.277 0.848 0.889 0.556 CA 1.270 10 residues pruned to eliminate duplicates Z: 10 12.606 1.950 0.797 0.433 1.000 0.556 CA 1.285 10 residues pruned to eliminate duplicates Z: 76 46.217 2.134 0.782 0.553 0.947 0.680 CB 1.409 75 residues pruned to eliminate duplicates Z: 20 47.958 2.254 1.035 0.871 1.000 0.684 CB 1.751 20 residues pruned to eliminate duplicates Z: 16 39.677 2.262 0.804 0.934 1.000 0.867 CA 1.750 16 residues pruned to eliminate duplicates Z: 18 42.685 2.204 1.093 0.863 1.000 0.765 CB 1.647 18 residues pruned to eliminate duplicates Z: 10 25.130 2.120 0.720 0.921 1.000 0.889 CA 1.616 10 residues pruned to eliminate duplicates Z: 23 33.750 2.058 0.873 0.789 0.909 0.591 CB 1.593 23 residues pruned to eliminate duplicates Z: 14 27.812 2.096 0.547 0.924 1.000 0.923 CA 1.671 14 residues pruned to eliminate duplicates Z: 13 24.824 2.025 0.746 0.875 0.917 0.833 CB 1.608 15 residues pruned to eliminate duplicates Z: 13 19.389 2.002 0.606 0.825 0.917 0.917 CB 1.432 13 residues pruned to eliminate duplicates Z: 34 36.334 2.094 0.880 0.771 0.909 0.758 CB 1.390 34 residues pruned to eliminate duplicates Z: 19 8.957 1.824 0.582 0.320 0.722 0.500 CB 1.236 9 residues pruned to eliminate duplicates Z: 14 16.376 1.845 0.590 0.836 0.923 0.769 CB 1.255 14 residues pruned to eliminate duplicates Z: 26 35.918 1.998 0.878 0.761 0.960 0.680 CB 1.581 26 residues pruned to eliminate duplicates Z: 23 38.513 2.128 1.002 0.800 0.909 0.727 CB 1.630 23 residues pruned to eliminate duplicates Z: 17 33.699 2.161 0.614 0.927 1.000 1.000 CB 1.692 17 residues pruned to eliminate duplicates Z: 9 21.713 1.991 0.884 0.872 1.000 1.000 CA 1.492 9 residues pruned to eliminate duplicates Z: 13 13.908 1.670 0.671 0.854 0.917 0.750 CB 1.160 Z: 22 30.798 2.096 1.120 0.696 0.857 0.857 CB 1.475 22 residues pruned to eliminate duplicates Z: 14 20.686 1.805 0.692 0.900 1.000 0.846 CB 1.341 14 residues pruned to eliminate duplicates Z: 9 16.824 2.010 0.606 0.904 1.000 0.875 CA 1.312 10 residues pruned to eliminate duplicates Z: 11 17.468 1.819 0.861 0.894 1.000 0.800 CB 1.171 12 residues pruned to eliminate duplicates Z: 19 19.682 2.029 0.803 0.595 0.889 0.778 CB 1.302 19 residues pruned to eliminate duplicates Z: 16 48.832 2.293 1.139 0.947 1.000 0.800 CA 1.776 17 residues pruned to eliminate duplicates Z: 9 13.370 1.981 0.386 0.829 1.000 0.625 CA 1.295 9 residues pruned to eliminate duplicates Z: 13 31.201 2.109 0.910 0.907 1.000 0.917 CB 1.590 13 residues pruned to eliminate duplicates Z: 13 19.485 1.989 0.775 0.892 1.000 0.917 CB 1.145 13 residues pruned to eliminate duplicates Z: 45 36.580 2.070 0.670 0.605 0.977 0.682 CB 1.478 45 residues pruned to eliminate duplicates Z: 34 44.551 2.242 0.807 0.652 0.970 0.485 CB 1.715 34 residues pruned to eliminate duplicates Z: 11 28.347 2.098 0.889 0.924 1.000 0.900 C 1.588 11 residues pruned to eliminate duplicates Z: 51 30.118 2.026 0.725 0.528 0.860 0.440 CB 1.379 51 residues pruned to eliminate duplicates Z: 8 19.256 2.212 0.446 0.907 1.000 0.857 C 1.617 8 residues pruned to eliminate duplicates Z: 9 10.771 1.912 0.172 0.876 1.000 0.750 CA 1.235 8 residues pruned to eliminate duplicates Z: 10 16.760 1.803 1.097 0.927 1.000 1.000 CB 1.035 10 residues pruned to eliminate duplicates Z: 13 29.717 2.106 0.999 0.907 1.000 0.917 CB 1.448 13 residues pruned to eliminate duplicates Z: 13 35.132 2.300 0.699 0.931 1.000 1.000 C 1.813 13 residues pruned to eliminate duplicates Z: 13 19.709 1.919 0.572 0.934 1.000 0.750 CB 1.316 13 residues pruned to eliminate duplicates Z: 24 39.213 2.197 0.820 0.761 1.000 0.739 CB 1.622 24 residues pruned to eliminate duplicates Z: 9 18.813 1.972 0.536 0.876 1.000 1.000 CB 1.596 9 residues pruned to eliminate duplicates Z: 16 31.740 2.016 0.825 0.919 1.000 0.933 CA 1.569 16 residues pruned to eliminate duplicates Z: 13 25.900 2.043 1.092 0.876 1.000 0.833 CB 1.272 13 residues pruned to eliminate duplicates Z: 17 33.296 2.159 0.653 0.926 1.000 0.938 CA 1.636 17 residues pruned to eliminate duplicates Z: 41 45.692 2.244 1.009 0.623 0.925 0.725 CB 1.544 41 residues pruned to eliminate duplicates Z: 10 15.470 1.808 0.570 0.864 1.000 1.000 CB 1.332 10 residues pruned to eliminate duplicates Z: 8 7.823 2.012 0.078 0.859 0.857 0.571 CB 1.170 8 residues pruned to eliminate duplicates Z: 25 30.938 2.141 0.634 0.742 0.917 0.708 CB 1.586 25 residues pruned to eliminate duplicates Z: 19 37.845 2.210 0.937 0.904 1.000 0.778 CB 1.485 19 residues pruned to eliminate duplicates Z: 10 14.518 2.038 0.428 0.928 1.000 1.000 CB 1.165 10 residues pruned to eliminate duplicates Z: 17 45.188 2.221 1.099 0.891 1.000 0.875 CA 1.742 17 residues pruned to eliminate duplicates Z: 11 18.255 1.852 0.615 0.840 1.000 0.700 CA 1.440 11 residues pruned to eliminate duplicates Z: 12 33.204 2.244 0.943 0.903 1.000 0.909 CB 1.637 12 residues pruned to eliminate duplicates Z: 10 24.857 2.113 0.802 0.919 1.000 1.000 CA 1.534 10 residues pruned to eliminate duplicates Z: 39 36.931 2.156 0.766 0.601 0.895 0.658 CB 1.597 39 residues pruned to eliminate duplicates Z: 21 31.586 2.036 0.796 0.852 0.950 0.600 CB 1.503 21 residues pruned to eliminate duplicates Z: 11 12.231 1.826 0.443 0.924 1.000 0.900 CB 1.031 11 residues pruned to eliminate duplicates Z: 25 33.265 2.165 0.813 0.758 0.875 0.667 CB 1.571 25 residues pruned to eliminate duplicates Z: 47 41.424 2.168 0.857 0.566 0.978 0.630 CB 1.455 47 residues pruned to eliminate duplicates Z: 20 31.292 2.135 0.584 0.883 0.947 0.737 CB 1.621 20 residues pruned to eliminate duplicates Z: 9 11.347 1.953 0.352 0.805 0.875 0.500 CB 1.331 9 residues pruned to eliminate duplicates Z: 13 19.195 1.981 0.474 0.884 1.000 0.833 CB 1.371 13 residues pruned to eliminate duplicates Z: 36 36.679 2.019 0.951 0.775 0.943 0.800 CB 1.309 36 residues pruned to eliminate duplicates Z: 10 23.689 2.127 0.613 0.931 1.000 1.000 CA 1.608 10 residues pruned to eliminate duplicates Z: 13 17.088 1.809 0.558 0.910 0.917 0.750 CB 1.354 12 residues pruned to eliminate duplicates Z: 23 27.489 1.945 0.921 0.685 1.000 0.773 CB 1.324 14 residues pruned to eliminate duplicates Z: 11 12.992 1.895 0.303 0.927 1.000 1.000 CB 1.166 11 residues pruned to eliminate duplicates Z: 42 42.144 2.179 0.819 0.616 0.951 0.707 CB 1.564 42 residues pruned to eliminate duplicates Z: 12 20.544 1.990 0.550 0.938 1.000 1.000 CB 1.396 12 residues pruned to eliminate duplicates Z: 18 32.071 2.094 0.984 0.846 0.882 0.765 C 1.576 18 residues pruned to eliminate duplicates Z: 14 53.169 2.285 1.465 0.941 1.000 0.846 CA 1.817 14 residues pruned to eliminate duplicates Z: 17 34.981 2.192 0.736 0.908 1.000 0.812 CA 1.633 17 residues pruned to eliminate duplicates Z: 10 22.738 2.065 0.635 0.929 1.000 1.000 CA 1.571 10 residues pruned to eliminate duplicates Z: 9 11.197 1.662 0.602 0.839 1.000 0.500 CB 1.110 9 residues pruned to eliminate duplicates Z: 20 46.517 2.190 1.045 0.882 1.000 0.789 CB 1.724 20 residues pruned to eliminate duplicates Z: 18 41.988 2.170 1.071 0.882 1.000 0.765 CB 1.641 18 residues pruned to eliminate duplicates Z: 7 18.113 2.242 0.452 0.914 1.000 1.000 CB 1.606 7 residues pruned to eliminate duplicates Z: 7 5.848 1.802 0.802 0.380 0.667 0.667 CA 1.254 7 residues pruned to eliminate duplicates Z: 22 24.531 1.982 0.802 0.666 0.952 0.619 CB 1.350 22 residues pruned to eliminate duplicates Z: 44 40.839 2.131 0.897 0.610 0.977 0.581 CB 1.421 44 residues pruned to eliminate duplicates Z: 7 15.775 2.071 1.023 0.543 1.000 1.000 CA 1.474 7 residues pruned to eliminate duplicates Z: 8 14.781 2.031 0.424 0.833 1.000 0.857 CB 1.449 8 residues pruned to eliminate duplicates Z: 14 22.152 1.921 0.694 0.833 1.000 0.923 CB 1.416 14 residues pruned to eliminate duplicates Z: 14 31.478 2.176 0.623 0.943 1.000 0.923 CB 1.713 14 residues pruned to eliminate duplicates Z: 17 45.852 2.123 1.273 0.924 1.000 0.812 CA 1.668 17 residues pruned to eliminate duplicates Z: 16 30.437 2.203 0.447 0.940 1.000 0.933 CA 1.712 16 residues pruned to eliminate duplicates Z: 14 17.713 1.749 0.652 0.877 1.000 0.769 CB 1.235 14 residues pruned to eliminate duplicates Z: 44 33.198 2.082 0.630 0.624 0.977 0.744 CB 1.359 44 residues pruned to eliminate duplicates Z: 12 25.369 2.134 0.720 0.873 1.000 1.000 CB 1.517 12 residues pruned to eliminate duplicates Z: 12 8.769 1.739 0.132 0.915 1.000 0.909 CB 0.949 11 residues pruned to eliminate duplicates Z: 17 5.557 1.656 0.459 0.234 0.750 0.500 CB 1.044 17 residues pruned to eliminate duplicates Z: 12 25.576 2.047 0.850 0.897 1.000 0.818 CB 1.458 12 residues pruned to eliminate duplicates Z: 13 25.324 1.990 0.939 0.886 1.000 0.917 CB 1.367 13 residues pruned to eliminate duplicates Z: 12 16.870 1.924 0.570 0.939 1.000 1.000 CB 1.170 12 residues pruned to eliminate duplicates Z: 10 15.900 2.124 0.071 0.933 1.000 1.000 CA 1.626 10 residues pruned to eliminate duplicates Z: 13 16.715 1.809 0.424 0.917 1.000 0.917 CB 1.321 13 residues pruned to eliminate duplicates Z: 56 43.706 2.073 0.964 0.620 0.964 0.727 CB 1.341 57 residues pruned to eliminate duplicates Z: 17 34.145 2.132 0.933 0.880 0.938 0.875 CA 1.601 17 residues pruned to eliminate duplicates Z: 21 41.360 2.216 0.890 0.850 0.950 0.750 CB 1.721 21 residues pruned to eliminate duplicates Z: 14 16.674 1.691 0.613 0.846 1.000 0.692 CB 1.260 14 residues pruned to eliminate duplicates Z: 62 50.627 2.175 0.845 0.624 0.902 0.574 CB 1.594 62 residues pruned to eliminate duplicates Z: 21 36.900 2.075 0.888 0.832 1.000 0.550 CB 1.582 21 residues pruned to eliminate duplicates Z: 13 27.459 1.954 0.971 0.892 1.000 0.833 C 1.478 13 residues pruned to eliminate duplicates Z: 17 22.994 2.096 0.648 0.825 0.875 0.688 CB 1.436 17 residues pruned to eliminate duplicates Z: 15 35.724 2.154 0.866 0.919 1.000 1.000 CB 1.675 15 residues pruned to eliminate duplicates Z: 13 22.882 2.024 0.818 0.830 1.000 0.667 CB 1.350 13 residues pruned to eliminate duplicates Z: 21 43.855 2.161 0.936 0.869 1.000 0.850 CB 1.712 21 residues pruned to eliminate duplicates Z: 13 22.916 1.989 0.745 0.860 1.000 0.750 CB 1.402 13 residues pruned to eliminate duplicates Z: 14 17.311 1.921 0.573 0.784 0.846 0.769 CB 1.462 14 residues pruned to eliminate duplicates Z: 14 53.269 2.255 1.532 0.932 1.000 0.538 CA 1.807 14 residues pruned to eliminate duplicates Z: 10 15.594 2.085 0.100 0.910 1.000 0.889 CB 1.607 10 residues pruned to eliminate duplicates Z: 18 9.650 1.875 0.673 0.304 0.824 0.588 CB 1.128 18 residues pruned to eliminate duplicates Z: 13 25.513 1.946 0.965 0.873 1.000 0.667 CB 1.403 13 residues pruned to eliminate duplicates Z: 18 36.612 2.105 0.867 0.897 1.000 0.824 CB 1.617 18 residues pruned to eliminate duplicates Z: 15 13.682 1.628 0.443 0.879 1.000 0.857 CB 1.129 15 residues pruned to eliminate duplicates Z: 8 11.100 2.140 0.103 0.864 0.857 0.714 CB 1.521 8 residues pruned to eliminate duplicates Z: 10 17.439 1.959 0.569 0.886 1.000 0.667 CA 1.364 9 residues pruned to eliminate duplicates Z: 13 26.631 2.055 0.834 0.928 1.000 0.917 CB 1.429 13 residues pruned to eliminate duplicates Z: 10 15.139 2.049 0.201 0.916 1.000 1.000 CB 1.448 10 residues pruned to eliminate duplicates Z: 12 14.078 1.766 0.675 0.742 0.909 0.636 CB 1.271 12 residues pruned to eliminate duplicates Z: 34 35.006 2.061 0.847 0.786 0.939 0.909 CB 1.325 34 residues pruned to eliminate duplicates Z: 17 35.529 2.168 0.777 0.935 0.938 0.938 CB 1.714 17 residues pruned to eliminate duplicates Z: 8 10.329 1.757 0.530 0.805 1.000 0.571 CB 1.113 7 residues pruned to eliminate duplicates Z: 15 17.487 1.819 0.719 0.745 0.786 0.571 CB 1.528 15 residues pruned to eliminate duplicates Z: 13 13.043 1.857 0.255 0.935 1.000 0.917 CB 1.126 13 residues pruned to eliminate duplicates Z: 9 11.626 1.951 0.248 0.780 0.875 0.750 C 1.507 9 residues pruned to eliminate duplicates Z: 21 30.231 2.033 0.663 0.825 0.950 0.600 CB 1.588 21 residues pruned to eliminate duplicates Z: 10 11.843 1.911 0.702 0.851 0.667 0.667 CB 1.347 10 residues pruned to eliminate duplicates Z: 18 38.718 2.180 0.925 0.882 1.000 0.882 CB 1.620 18 residues pruned to eliminate duplicates Z: 6 2.087 1.531 0.211 0.294 0.800 0.400 CB 0.792 6 residues pruned to eliminate duplicates Z: 13 18.920 1.822 0.635 0.891 1.000 0.833 CB 1.318 13 residues pruned to eliminate duplicates Z: 23 34.618 2.101 0.942 0.808 0.909 0.636 CB 1.521 23 residues pruned to eliminate duplicates Z: 10 43.370 2.269 1.470 0.912 1.000 0.556 CB 1.826 10 residues pruned to eliminate duplicates Z: 14 5.896 1.953 0.283 0.278 0.846 0.462 CB 0.990 10 residues pruned to eliminate duplicates Z: 57 40.632 2.047 0.908 0.611 0.929 0.696 CB 1.348 57 residues pruned to eliminate duplicates Z: 43 36.785 2.048 0.974 0.604 0.929 0.714 CB 1.370 55 residues pruned to eliminate duplicates Z: 14 34.353 2.148 0.890 0.919 1.000 0.846 CB 1.654 14 residues pruned to eliminate duplicates Z: 12 14.440 1.756 0.655 0.846 0.909 0.818 CB 1.224 12 residues pruned to eliminate duplicates Z: 13 24.040 2.007 0.728 0.924 1.000 0.917 CB 1.405 13 residues pruned to eliminate duplicates Z: 11 15.726 2.085 0.747 0.424 1.000 0.700 CB 1.477 11 residues pruned to eliminate duplicates Z: 36 42.677 2.097 0.786 0.714 1.000 0.657 CA 1.587 31 residues pruned to eliminate duplicates Z: 12 35.045 2.160 1.159 0.862 1.000 0.636 CA 1.664 13 residues pruned to eliminate duplicates Z: 12 15.921 1.934 0.421 0.901 1.000 0.909 CB 1.247 12 residues pruned to eliminate duplicates Z: 10 21.252 1.982 0.739 0.904 1.000 1.000 CB 1.464 10 residues pruned to eliminate duplicates Z: 12 12.879 1.834 0.394 0.702 1.000 0.727 CB 1.263 12 residues pruned to eliminate duplicates Z: 20 38.905 2.135 0.921 0.875 1.000 0.684 CB 1.582 20 residues pruned to eliminate duplicates Z: 11 16.275 1.833 0.823 0.911 1.000 0.800 CB 1.091 12 residues pruned to eliminate duplicates Z: 9 14.549 2.080 0.810 0.516 0.875 0.875 C 1.537 9 residues pruned to eliminate duplicates Z: 9 14.200 1.915 0.532 0.933 1.000 1.000 CB 1.194 9 residues pruned to eliminate duplicates Z: 11 34.559 2.332 0.965 0.833 1.000 1.000 C 1.790 11 residues pruned to eliminate duplicates Z: 36 26.248 2.025 0.969 0.444 0.914 0.657 CB 1.290 36 residues pruned to eliminate duplicates Z: 7 2.481 1.671 0.268 0.248 0.667 0.500 N 0.959 Z: 11 26.194 1.959 0.942 0.903 1.000 0.900 C 1.552 11 residues pruned to eliminate duplicates Z: 13 19.626 1.987 0.641 0.876 1.000 0.833 CB 1.263 13 residues pruned to eliminate duplicates Z: 19 16.728 2.111 0.416 0.509 0.944 0.667 CB 1.385 19 residues pruned to eliminate duplicates Z: 11 15.979 1.954 0.528 0.832 0.900 0.600 CB 1.411 11 residues pruned to eliminate duplicates Z: 20 39.867 2.117 0.866 0.900 1.000 0.737 CB 1.654 20 residues pruned to eliminate duplicates Z: 12 24.055 2.110 0.689 0.896 1.000 0.909 CB 1.458 12 residues pruned to eliminate duplicates Z: 52 34.567 2.040 0.694 0.566 0.902 0.529 CB 1.456 52 residues pruned to eliminate duplicates Z: 12 15.234 1.715 0.762 0.819 1.000 0.727 CB 1.152 12 residues pruned to eliminate duplicates Z: 10 10.503 2.011 0.003 0.929 1.000 1.000 CB 1.215 10 residues pruned to eliminate duplicates Z: 9 13.804 2.006 0.567 0.843 0.875 0.500 CB 1.322 9 residues pruned to eliminate duplicates Z: 8 12.376 1.886 0.407 0.878 1.000 0.714 CB 1.280 8 residues pruned to eliminate duplicates Z: 13 23.960 2.000 0.946 0.868 1.000 0.750 CB 1.299 13 residues pruned to eliminate duplicates Z: 10 26.001 2.073 0.861 0.923 1.000 0.889 CA 1.578 10 residues pruned to eliminate duplicates Z: 12 13.983 1.907 0.221 0.932 1.000 0.909 CB 1.264 12 residues pruned to eliminate duplicates Z: 18 35.148 2.162 0.882 0.883 0.941 0.647 CB 1.610 18 residues pruned to eliminate duplicates Z: 7 15.191 2.068 0.730 0.699 1.000 0.833 CB 1.447 7 residues pruned to eliminate duplicates Z: 13 20.723 1.985 0.771 0.825 1.000 0.833 CB 1.284 13 residues pruned to eliminate duplicates Z: 15 14.956 1.663 0.492 0.909 1.000 0.857 CB 1.144 14 residues pruned to eliminate duplicates Z: 17 6.064 1.862 0.509 0.289 0.812 0.438 CB 0.842 16 residues pruned to eliminate duplicates Z: 13 23.344 1.902 0.890 0.908 1.000 0.917 CB 1.332 13 residues pruned to eliminate duplicates Z: 10 9.409 1.558 0.811 0.486 1.000 0.556 C 1.128 11 residues pruned to eliminate duplicates Z: 6 15.756 2.075 0.915 0.798 1.000 0.800 CB 1.367 6 residues pruned to eliminate duplicates Z: 13 7.470 1.905 0.599 0.329 0.750 0.583 CB 1.139 13 residues pruned to eliminate duplicates Z: 9 11.361 1.945 0.307 0.860 0.875 0.750 CA 1.327 9 residues pruned to eliminate duplicates Z: 26 17.745 1.983 0.576 0.491 0.840 0.600 CB 1.364 26 residues pruned to eliminate duplicates Z: 12 19.720 2.069 0.678 0.819 0.909 0.636 CB 1.428 12 residues pruned to eliminate duplicates Z: 10 14.288 1.974 0.211 0.827 1.000 0.778 C 1.501 10 residues pruned to eliminate duplicates Z: 14 21.459 1.904 0.736 0.881 1.000 0.846 CB 1.304 14 residues pruned to eliminate duplicates Z: 12 16.296 1.745 0.865 0.887 1.000 0.909 CB 1.088 11 residues pruned to eliminate duplicates Z: 9 21.473 2.182 0.680 0.860 1.000 0.875 CA 1.523 9 residues pruned to eliminate duplicates Z: 9 16.898 1.961 0.564 0.808 1.000 0.875 CB 1.489 9 residues pruned to eliminate duplicates Z: 9 10.982 1.989 0.398 0.819 0.750 0.500 CA 1.412 9 residues pruned to eliminate duplicates Z: 10 15.074 1.798 1.038 0.898 1.000 1.000 CB 0.981 10 residues pruned to eliminate duplicates Z: 49 31.604 2.048 0.620 0.547 0.938 0.500 CB 1.401 49 residues pruned to eliminate duplicates Z: 10 11.896 2.049 0.968 0.447 0.889 0.778 CB 1.169 11 residues pruned to eliminate duplicates Z: 55 35.364 2.012 0.719 0.614 0.907 0.630 CB 1.376 54 residues pruned to eliminate duplicates Z: 17 38.685 2.140 0.873 0.918 1.000 0.875 CB 1.701 17 residues pruned to eliminate duplicates Z: 14 47.711 2.212 1.405 0.943 1.000 0.846 C 1.723 14 residues pruned to eliminate duplicates Z: 19 30.293 2.049 0.776 0.853 0.944 0.833 CB 1.535 19 residues pruned to eliminate duplicates Z: 10 8.902 1.961 0.771 0.388 0.889 0.556 CB 1.082 9 residues pruned to eliminate duplicates Z: 13 35.578 2.328 0.652 0.945 1.000 1.000 CB 1.847 13 residues pruned to eliminate duplicates Z: 10 10.262 1.885 0.022 0.930 1.000 1.000 CB 1.242 10 residues pruned to eliminate duplicates Z: 13 22.228 1.959 0.631 0.889 1.000 0.833 CB 1.447 13 residues pruned to eliminate duplicates Z: 7 3.862 1.544 0.489 0.436 0.833 0.167 CB 0.880 7 residues pruned to eliminate duplicates Z: 15 14.729 1.612 0.754 0.904 1.000 0.714 CB 0.992 15 residues pruned to eliminate duplicates Z: 8 13.905 2.006 0.610 0.787 0.857 0.571 CB 1.475 8 residues pruned to eliminate duplicates Z: 8 12.866 1.800 0.657 0.862 1.000 0.857 CB 1.197 8 residues pruned to eliminate duplicates Z: 31 18.403 1.901 0.538 0.496 0.967 0.567 CB 1.193 22 residues pruned to eliminate duplicates Z: 20 31.193 2.019 0.822 0.821 0.947 0.632 CB 1.555 20 residues pruned to eliminate duplicates Z: 60 44.138 2.132 0.901 0.565 0.898 0.644 CB 1.481 60 residues pruned to eliminate duplicates Z: 86 36.429 2.038 0.601 0.494 0.906 0.647 CB 1.344 86 residues pruned to eliminate duplicates Z: 23 23.117 1.921 0.776 0.651 0.909 0.727 CB 1.380 23 residues pruned to eliminate duplicates Z: 10 25.258 2.084 0.843 0.924 1.000 0.889 CA 1.539 10 residues pruned to eliminate duplicates Z: 72 44.621 2.121 0.778 0.539 0.944 0.620 CB 1.433 72 residues pruned to eliminate duplicates Z: 44 35.155 2.071 0.735 0.613 0.977 0.744 CB 1.372 44 residues pruned to eliminate duplicates Z: 11 9.835 1.822 0.087 0.885 0.900 0.800 CA 1.259 11 residues pruned to eliminate duplicates Z: 10 9.104 1.991 -0.074 0.870 0.889 0.556 CB 1.351 10 residues pruned to eliminate duplicates Z: 37 40.160 2.099 0.861 0.643 0.944 0.639 CB 1.587 37 residues pruned to eliminate duplicates Z: 21 39.631 2.112 1.005 0.875 1.000 0.800 CB 1.523 21 residues pruned to eliminate duplicates Z: 10 15.222 1.896 0.538 0.790 1.000 0.889 CA 1.349 10 residues pruned to eliminate duplicates Z: 9 18.505 1.917 0.900 0.921 1.000 1.000 CA 1.264 10 residues pruned to eliminate duplicates Z: 25 21.487 1.966 0.581 0.630 0.917 0.750 CB 1.362 25 residues pruned to eliminate duplicates Z: 56 32.614 2.030 0.538 0.573 0.945 0.673 CB 1.389 56 residues pruned to eliminate duplicates Z: 37 42.671 2.110 0.848 0.680 0.972 0.639 CB 1.590 36 residues pruned to eliminate duplicates Z: 19 49.464 2.270 1.185 0.890 1.000 0.667 CB 1.691 19 residues pruned to eliminate duplicates Z: 9 19.514 1.908 0.717 0.862 1.000 0.500 CA 1.546 9 residues pruned to eliminate duplicates Z: 14 25.952 1.955 0.984 0.863 0.923 0.769 CB 1.475 14 residues pruned to eliminate duplicates Z: 41 47.480 2.125 1.006 0.618 0.950 0.500 CB 1.657 41 residues pruned to eliminate duplicates Z: 9 10.612 1.785 0.448 0.843 1.000 0.750 CB 1.081 9 residues pruned to eliminate duplicates Z: 7 11.203 1.845 0.451 0.882 1.000 1.000 CB 1.236 7 residues pruned to eliminate duplicates Z: 15 24.370 1.787 0.872 0.910 1.000 0.857 CA 1.381 15 residues pruned to eliminate duplicates Z: 18 38.219 2.072 1.043 0.865 1.000 0.824 CA 1.605 18 residues pruned to eliminate duplicates Z: 7 2.489 1.708 0.343 0.356 1.000 0.833 CB 0.518 4 residues pruned to eliminate duplicates Z: 86 50.313 2.049 0.863 0.649 0.918 0.647 CB 1.356 85 residues pruned to eliminate duplicates Z: 8 12.515 1.821 0.577 0.877 1.000 0.857 CB 1.197 8 residues pruned to eliminate duplicates Z: 39 35.208 2.099 0.826 0.610 0.974 0.684 CB 1.378 39 residues pruned to eliminate duplicates Z: 46 30.652 2.067 0.572 0.593 0.933 0.644 CB 1.379 46 residues pruned to eliminate duplicates Z: 10 21.183 2.099 0.800 0.883 1.000 0.889 CB 1.351 10 residues pruned to eliminate duplicates Z: 13 13.945 1.867 0.422 0.915 0.917 0.833 CB 1.169 13 residues pruned to eliminate duplicates Z: 13 24.808 2.055 0.670 0.892 1.000 0.917 CB 1.500 13 residues pruned to eliminate duplicates Z: 14 42.965 2.243 1.231 0.911 1.000 0.923 CA 1.688 16 residues pruned to eliminate duplicates Z: 77 51.087 2.047 0.858 0.658 0.934 0.724 CB 1.424 76 residues pruned to eliminate duplicates Z: 8 7.160 1.775 0.240 0.430 1.000 0.714 CB 1.322 8 residues pruned to eliminate duplicates Z: 12 44.183 2.275 1.229 0.928 1.000 0.818 CA 1.839 12 residues pruned to eliminate duplicates Z: 13 12.002 1.687 0.427 0.902 0.917 0.833 CB 1.119 13 residues pruned to eliminate duplicates Z: 8 14.831 2.057 0.260 0.917 1.000 1.000 CB 1.526 8 residues pruned to eliminate duplicates Z: 45 35.253 2.138 0.844 0.535 0.932 0.614 CB 1.397 45 residues pruned to eliminate duplicates Z: 9 10.379 1.766 0.736 0.406 1.000 0.750 C 1.321 9 residues pruned to eliminate duplicates Z: 8 9.728 1.796 0.670 0.849 0.857 0.714 CB 1.060 8 residues pruned to eliminate duplicates Z: 10 13.194 1.905 0.409 0.867 0.889 0.444 CA 1.348 10 residues pruned to eliminate duplicates Z: 13 22.320 1.949 0.771 0.875 1.000 0.833 CB 1.358 13 residues pruned to eliminate duplicates Z: 12 18.484 1.939 0.749 0.910 0.909 0.818 CB 1.283 12 residues pruned to eliminate duplicates Z: 20 16.224 2.042 0.689 0.523 0.842 0.579 CB 1.252 20 residues pruned to eliminate duplicates Z: 38 23.087 2.056 0.459 0.525 0.892 0.676 CB 1.385 38 residues pruned to eliminate duplicates Z: 9 12.716 1.793 0.689 0.870 1.000 0.750 CB 1.084 9 residues pruned to eliminate duplicates Z: 18 15.922 2.002 0.454 0.524 0.941 0.765 CB 1.376 18 residues pruned to eliminate duplicates Z: 13 25.895 1.922 0.879 0.940 1.000 1.000 C 1.438 13 residues pruned to eliminate duplicates Z: 15 40.919 2.101 1.155 0.923 1.000 1.000 C 1.698 14 residues pruned to eliminate duplicates Z: 12 41.970 2.391 1.106 0.878 1.000 0.909 CB 1.823 12 residues pruned to eliminate duplicates Z: 11 11.554 1.825 0.319 0.929 1.000 0.900 CB 1.062 11 residues pruned to eliminate duplicates Z: 14 36.945 2.209 0.837 0.927 1.000 0.923 C 1.769 14 residues pruned to eliminate duplicates Z: 12 24.350 2.033 1.019 0.907 1.000 0.636 CB 1.271 12 residues pruned to eliminate duplicates Z: 15 44.383 2.132 1.328 0.898 1.000 0.571 CA 1.709 16 residues pruned to eliminate duplicates Z: 11 12.571 1.924 0.099 0.912 1.000 0.900 CB 1.332 11 residues pruned to eliminate duplicates Z: 12 25.154 2.023 0.824 0.919 1.000 1.000 CB 1.448 12 residues pruned to eliminate duplicates Z: 13 26.897 1.909 1.060 0.916 1.000 0.917 CA 1.394 13 residues pruned to eliminate duplicates Z: 64 44.066 2.122 0.707 0.608 0.921 0.651 CB 1.503 64 residues pruned to eliminate duplicates Z: 12 36.461 2.161 1.500 0.937 1.000 0.545 CB 1.416 12 residues pruned to eliminate duplicates Z: 16 5.149 1.836 0.655 0.294 0.800 0.733 CB 0.689 16 residues pruned to eliminate duplicates Z: 38 35.941 2.023 1.048 0.624 0.919 0.676 CB 1.381 38 residues pruned to eliminate duplicates Z: 8 12.788 1.821 0.741 0.849 1.000 0.857 CB 1.130 8 residues pruned to eliminate duplicates Z: 6 5.362 1.443 0.277 0.803 0.800 0.600 O 1.248 Z: 12 23.020 1.921 1.003 0.862 1.000 0.818 CB 1.324 12 residues pruned to eliminate duplicates Z: 11 16.203 1.869 0.943 0.843 0.800 0.700 CB 1.313 11 residues pruned to eliminate duplicates Z: 16 6.916 1.764 0.229 0.341 0.867 0.400 CB 1.129 16 residues pruned to eliminate duplicates Z: 36 18.223 1.859 0.481 0.556 0.914 0.771 CB 1.158 30 residues pruned to eliminate duplicates Z: 10 10.647 1.931 0.174 0.897 1.000 0.889 CB 1.120 10 residues pruned to eliminate duplicates Z: 11 14.792 1.840 0.753 0.859 1.000 0.800 CB 1.067 11 residues pruned to eliminate duplicates Z: 18 18.534 2.040 0.440 0.675 0.941 0.765 CB 1.384 25 residues pruned to eliminate duplicates Z: 9 21.597 2.083 0.933 0.804 0.875 0.625 CA 1.663 9 residues pruned to eliminate duplicates Z: 13 16.273 1.820 0.529 0.926 1.000 1.000 CB 1.184 13 residues pruned to eliminate duplicates Z: 74 46.044 2.062 0.725 0.655 0.932 0.630 CB 1.409 74 residues pruned to eliminate duplicates Z: 75 62.069 2.191 0.897 0.676 0.919 0.662 CB 1.606 72 residues pruned to eliminate duplicates Z: 11 12.676 1.909 0.181 0.940 1.000 1.000 CB 1.235 11 residues pruned to eliminate duplicates Z: 7 7.059 1.862 0.863 0.276 0.833 0.833 CB 1.285 7 residues pruned to eliminate duplicates Z: 86 61.157 2.196 0.825 0.671 0.929 0.706 CB 1.521 86 residues pruned to eliminate duplicates Z: 15 9.933 1.889 0.166 0.657 0.929 0.857 CB 1.122 15 residues pruned to eliminate duplicates Z: 20 17.728 1.918 0.752 0.601 0.895 0.632 CB 1.229 20 residues pruned to eliminate duplicates Z: 9 16.083 2.126 0.848 0.662 0.875 0.375 C 1.423 9 residues pruned to eliminate duplicates Z: 55 34.720 2.019 0.684 0.587 0.963 0.648 CB 1.327 55 residues pruned to eliminate duplicates Z: 17 31.157 2.146 1.059 0.642 0.938 0.812 CB 1.646 17 residues pruned to eliminate duplicates Z: 9 10.949 1.596 0.621 0.864 1.000 0.750 CB 1.097 9 residues pruned to eliminate duplicates Z: 44 33.208 2.065 0.811 0.603 0.953 0.558 CB 1.288 44 residues pruned to eliminate duplicates Z: 11 11.311 1.772 0.330 0.889 1.000 0.900 CB 1.093 11 residues pruned to eliminate duplicates Z: 12 12.355 1.763 0.467 0.595 0.909 0.727 C 1.446 12 residues pruned to eliminate duplicates Z: 13 22.747 1.992 0.679 0.867 1.000 0.917 CB 1.435 13 residues pruned to eliminate duplicates Z: 28 26.960 2.072 0.558 0.641 1.000 0.741 CB 1.409 28 residues pruned to eliminate duplicates Z: 10 19.946 2.218 0.736 0.703 0.889 0.889 C 1.614 10 residues pruned to eliminate duplicates Z: 11 16.554 1.951 0.602 0.687 1.000 0.900 CB 1.411 11 residues pruned to eliminate duplicates Z: 13 23.178 2.034 0.819 0.712 1.000 0.667 CA 1.491 13 residues pruned to eliminate duplicates Z: 8 15.708 2.087 0.821 0.594 1.000 0.714 C 1.428 8 residues pruned to eliminate duplicates Z: 65 47.955 2.177 0.771 0.600 0.922 0.578 CB 1.534 65 residues pruned to eliminate duplicates Z: 11 10.555 1.783 0.542 0.916 0.900 0.800 CB 0.952 11 residues pruned to eliminate duplicates Z: 83 54.548 2.173 0.798 0.641 0.890 0.659 CB 1.518 83 residues pruned to eliminate duplicates Z: 10 11.509 1.972 0.154 0.884 0.889 0.889 CA 1.370 9 residues pruned to eliminate duplicates Z: 37 31.021 2.112 0.624 0.606 0.972 0.722 CB 1.402 37 residues pruned to eliminate duplicates Z: 13 23.521 1.962 1.060 0.846 1.000 0.750 CB 1.248 13 residues pruned to eliminate duplicates Z: 9 9.499 1.974 0.652 0.348 0.875 0.625 CB 1.389 9 residues pruned to eliminate duplicates Z: 9 16.726 1.921 0.576 0.898 1.000 0.500 CB 1.397 9 residues pruned to eliminate duplicates Z: 11 13.408 1.766 0.791 0.902 1.000 0.700 CB 0.956 11 residues pruned to eliminate duplicates Z: 70 49.569 2.169 0.757 0.619 0.942 0.667 CB 1.485 70 residues pruned to eliminate duplicates Z: 30 25.739 2.061 0.679 0.551 0.966 0.621 CB 1.362 30 residues pruned to eliminate duplicates Z: 18 33.916 2.148 0.790 0.873 1.000 0.647 CB 1.558 18 residues pruned to eliminate duplicates Z: 10 14.185 1.843 0.311 0.875 1.000 0.889 CB 1.423 10 residues pruned to eliminate duplicates Z: 15 9.607 1.690 0.460 0.456 0.857 0.643 CB 1.270 15 residues pruned to eliminate duplicates Z: 13 18.882 1.886 0.538 0.927 1.000 1.000 CA 1.317 13 residues pruned to eliminate duplicates Z: 14 16.536 1.860 0.288 0.885 1.000 0.923 CB 1.382 14 residues pruned to eliminate duplicates Z: 11 18.193 2.023 0.685 0.727 1.000 0.500 CA 1.376 11 residues pruned to eliminate duplicates Z: 19 40.829 2.026 1.192 0.877 1.000 0.778 CA 1.574 19 residues pruned to eliminate duplicates Z: 21 16.306 1.833 0.483 0.646 0.950 0.750 CB 1.232 21 residues pruned to eliminate duplicates Z: 10 26.923 2.255 0.709 0.845 1.000 0.556 CB 1.731 10 residues pruned to eliminate duplicates Z: 13 9.907 1.677 0.281 0.890 1.000 0.750 CB 0.958 13 residues pruned to eliminate duplicates Z: 41 43.059 2.019 1.052 0.634 0.950 0.600 CB 1.525 41 residues pruned to eliminate duplicates Z: 37 23.379 1.936 0.600 0.563 0.889 0.667 CB 1.331 37 residues pruned to eliminate duplicates Z: 11 15.323 1.716 0.853 0.802 1.000 0.800 CB 1.170 11 residues pruned to eliminate duplicates Z: 9 5.911 1.615 0.612 0.452 0.875 0.500 CB 0.963 9 residues pruned to eliminate duplicates Z: 13 21.510 2.084 0.370 0.906 1.000 0.917 CB 1.546 13 residues pruned to eliminate duplicates Z: 13 13.784 1.785 0.483 0.918 1.000 0.917 CB 1.060 13 residues pruned to eliminate duplicates Z: 28 18.223 1.948 0.535 0.450 0.889 0.593 CB 1.389 28 residues pruned to eliminate duplicates Z: 19 18.973 2.014 0.670 0.627 0.833 0.667 CB 1.415 19 residues pruned to eliminate duplicates Z: 11 5.896 1.868 0.348 0.398 0.800 0.600 CB 1.030 11 residues pruned to eliminate duplicates Z: 26 23.602 1.961 0.811 0.625 0.920 0.680 CB 1.284 26 residues pruned to eliminate duplicates Z: 22 38.966 2.137 0.869 0.849 1.000 0.762 CB 1.578 22 residues pruned to eliminate duplicates Z: 7 18.213 2.222 0.719 0.620 1.000 0.667 CB 1.738 7 residues pruned to eliminate duplicates Z: 9 8.239 1.925 0.105 0.826 0.875 0.500 CA 1.180 9 residues pruned to eliminate duplicates Z: 73 49.562 2.159 0.811 0.627 0.903 0.625 CB 1.468 73 residues pruned to eliminate duplicates 6 1.805 1.014 0.497 0.377 1.000 0.600 CB 0.606 ? Z: 6 13.520 2.206 1.075 0.541 0.800 0.800 CB 1.586 6 residues pruned to eliminate duplicates Z: 10 6.457 1.543 0.028 0.713 1.000 0.889 CB 1.120 10 residues pruned to eliminate duplicates Z: 74 36.529 2.040 0.860 0.456 0.849 0.562 CB 1.388 74 residues pruned to eliminate duplicates Z: 12 12.677 1.785 0.651 0.568 0.909 0.818 CB 1.335 12 residues pruned to eliminate duplicates Z: 26 16.145 1.933 0.923 0.452 0.800 0.640 CB 1.141 26 residues pruned to eliminate duplicates Z: 6 4.194 1.670 0.261 0.517 0.800 0.600 CB 1.095 6 residues pruned to eliminate duplicates Z: 17 17.544 2.135 0.557 0.511 0.938 0.812 CB 1.392 17 residues pruned to eliminate duplicates Z: 15 14.294 2.009 0.695 0.544 0.857 0.571 CB 1.253 15 residues pruned to eliminate duplicates Z: 6 4.893 1.454 1.017 0.467 0.800 0.800 CB 0.965 6 residues pruned to eliminate duplicates Z: 11 18.614 2.003 0.581 0.896 1.000 0.900 CB 1.331 11 residues pruned to eliminate duplicates Z: 6 7.683 1.626 0.445 0.728 1.000 0.800 C 1.191 6 residues pruned to eliminate duplicates Z: 18 38.690 2.099 1.016 0.883 1.000 0.882 CA 1.603 18 residues pruned to eliminate duplicates Z: 21 37.070 2.111 0.820 0.856 1.000 0.800 CB 1.592 21 residues pruned to eliminate duplicates Z: 19 35.709 2.146 1.080 0.664 1.000 0.667 CB 1.620 19 residues pruned to eliminate duplicates Z: 14 9.916 1.858 0.051 0.703 1.000 0.923 CB 1.170 14 residues pruned to eliminate duplicates Z: 14 17.983 1.668 0.697 0.879 1.000 0.692 CB 1.278 14 residues pruned to eliminate duplicates Z: 9 7.841 2.005 0.420 0.279 0.875 0.500 CA 1.429 9 residues pruned to eliminate duplicates Z: 23 19.004 1.902 0.706 0.585 0.864 0.591 CB 1.332 23 residues pruned to eliminate duplicates Z: 12 14.255 2.070 0.995 0.405 0.909 0.364 CB 1.265 12 residues pruned to eliminate duplicates Z: 14 25.394 2.000 0.697 0.935 1.000 0.923 CB 1.446 14 residues pruned to eliminate duplicates Z: 37 22.722 1.946 0.425 0.537 1.000 0.750 CB 1.317 37 residues pruned to eliminate duplicates Z: 9 30.116 2.371 1.003 0.779 1.000 1.000 C 1.753 9 residues pruned to eliminate duplicates 465 residues left after pruning, divided into chains as follows: A: 14 B: 98 C: 72 D: 114 E: 118 F: 49 CC for partial structure against native data = 41.16 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.372, Connect. = 0.755 for dens.mod. cycle 1 = 0.300, Contrast = 0.423, Connect. = 0.775 for dens.mod. cycle 2 = 0.300, Contrast = 0.507, Connect. = 0.803 for dens.mod. cycle 3 = 0.300, Contrast = 0.515, Connect. = 0.804 for dens.mod. cycle 4 = 0.300, Contrast = 0.525, Connect. = 0.806 for dens.mod. cycle 5 = 0.300, Contrast = 0.531, Connect. = 0.808 for dens.mod. cycle 6 = 0.300, Contrast = 0.538, Connect. = 0.809 for dens.mod. cycle 7 = 0.300, Contrast = 0.542, Connect. = 0.810 for dens.mod. cycle 8 = 0.300, Contrast = 0.547, Connect. = 0.810 for dens.mod. cycle 9 = 0.300, Contrast = 0.550, Connect. = 0.811 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3334 peaks > 0.5 sigma used to seed fragment search Space for about 512 unique residues taking solvent into account 703 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 32.742 2.389 0.354 0.941 1.000 1.000 C 1.949 B: 43 47.176 2.365 0.747 0.589 0.952 0.690 CB 1.698 C: 20 36.912 2.314 0.549 0.876 0.947 0.737 CA 1.813 D: 9 24.633 2.277 0.694 0.875 1.000 0.625 CB 1.642 E: 13 39.278 2.311 1.009 0.806 1.000 0.917 CB 1.870 13 residues pruned to eliminate duplicates F: 14 29.806 2.310 0.647 0.855 1.000 0.846 CB 1.603 14 residues pruned to eliminate duplicates G: 13 29.131 2.371 0.634 0.839 0.917 0.833 CB 1.768 13 residues pruned to eliminate duplicates H: 13 31.782 2.421 0.582 0.878 1.000 0.917 CB 1.739 13 residues pruned to eliminate duplicates I: 15 35.631 2.269 0.609 0.912 1.000 1.000 C 1.847 14 residues pruned to eliminate duplicates J: 22 37.924 2.320 0.609 0.817 0.952 0.619 CA 1.767 20 residues pruned to eliminate duplicates K: 20 37.205 2.305 0.521 0.856 1.000 0.789 CA 1.795 20 residues pruned to eliminate duplicates L: 23 38.274 2.212 0.513 0.845 1.000 0.773 CA 1.812 M: 15 32.232 2.260 0.405 0.916 1.000 0.929 CB 1.917 15 residues pruned to eliminate duplicates N: 73 56.977 2.340 0.657 0.591 0.944 0.736 CB 1.681 50 residues pruned to eliminate duplicates O: 18 43.297 2.401 0.693 0.872 1.000 0.706 CB 1.883 P: 79 49.343 2.274 0.600 0.526 0.962 0.590 CB 1.556 47 residues pruned to eliminate duplicates Q: 14 27.720 2.238 0.550 0.874 1.000 0.846 CB 1.613 14 residues pruned to eliminate duplicates R: 17 42.884 2.281 0.915 0.899 0.938 0.938 C 1.871 S: 15 29.909 2.291 0.283 0.903 1.000 0.929 C 1.939 15 residues pruned to eliminate duplicates T: 13 13.000 2.033 0.415 0.326 0.917 0.750 CB 1.723 U: 13 21.580 2.122 0.368 0.863 0.917 0.833 CA 1.717 V: 17 42.848 2.391 0.727 0.930 1.000 0.938 CB 1.813 17 residues pruned to eliminate duplicates W: 21 37.111 2.221 0.715 0.835 0.950 0.700 CA 1.718 21 residues pruned to eliminate duplicates X: 14 29.914 2.361 0.307 0.910 1.000 0.923 C 1.908 14 residues pruned to eliminate duplicates Y: 25 28.368 2.084 0.747 0.652 0.958 0.750 CB 1.440 17 residues pruned to eliminate duplicates Z: 14 33.678 2.155 0.910 0.917 1.000 0.923 CA 1.602 Z: 16 43.392 2.190 0.988 0.910 1.000 0.800 CA 1.825 Z: 13 33.547 2.410 0.724 0.866 1.000 0.750 CB 1.706 13 residues pruned to eliminate duplicates Z: 17 54.862 2.508 1.073 0.881 1.000 0.875 CB 1.910 18 residues pruned to eliminate duplicates Z: 74 55.081 2.318 0.701 0.576 0.918 0.630 CB 1.656 74 residues pruned to eliminate duplicates Z: 9 22.776 2.208 0.715 0.853 1.000 0.875 CB 1.571 9 residues pruned to eliminate duplicates Z: 13 37.705 2.508 0.447 0.939 1.000 0.917 C 2.085 14 residues pruned to eliminate duplicates Z: 16 34.987 2.160 0.737 0.909 1.000 0.800 CB 1.708 16 residues pruned to eliminate duplicates Z: 16 50.516 2.194 1.310 0.931 1.000 1.000 CA 1.799 16 residues pruned to eliminate duplicates Z: 16 40.608 2.212 0.866 0.927 1.000 0.867 CA 1.780 16 residues pruned to eliminate duplicates Z: 14 15.283 2.065 0.485 0.351 0.923 0.769 CB 1.758 13 residues pruned to eliminate duplicates Z: 16 37.796 2.179 0.769 0.909 1.000 0.933 CA 1.797 16 residues pruned to eliminate duplicates Z: 15 28.523 2.282 0.243 0.906 1.000 1.000 C 1.911 15 residues pruned to eliminate duplicates Z: 11 17.715 1.992 0.359 0.848 1.000 0.800 CA 1.535 Z: 17 43.937 2.399 0.828 0.934 0.938 0.938 C 1.864 17 residues pruned to eliminate duplicates Z: 14 31.623 2.285 0.536 0.837 1.000 0.769 CA 1.869 14 residues pruned to eliminate duplicates Z: 14 48.042 2.419 0.961 0.921 1.000 1.000 CA 1.977 15 residues pruned to eliminate duplicates Z: 19 36.420 2.158 0.990 0.853 0.889 0.889 CA 1.662 17 residues pruned to eliminate duplicates Z: 81 58.983 2.325 0.798 0.540 0.925 0.637 CB 1.640 74 residues pruned to eliminate duplicates Z: 20 39.742 2.224 0.636 0.890 1.000 0.737 CB 1.803 20 residues pruned to eliminate duplicates Z: 8 6.795 2.232 0.284 0.285 0.714 0.429 CB 1.597 Z: 56 49.786 2.269 0.601 0.629 0.982 0.673 CB 1.667 13 residues pruned to eliminate duplicates Z: 12 27.302 2.280 0.393 0.873 1.000 0.818 CB 1.888 12 residues pruned to eliminate duplicates Z: 14 26.841 2.060 0.681 0.879 1.000 0.846 CB 1.560 14 residues pruned to eliminate duplicates Z: 13 37.140 2.286 0.881 0.928 1.000 0.917 CB 1.746 13 residues pruned to eliminate duplicates Z: 18 44.126 2.262 0.859 0.896 1.000 0.941 CB 1.824 18 residues pruned to eliminate duplicates Z: 17 49.603 2.517 0.857 0.884 1.000 0.938 CB 1.917 17 residues pruned to eliminate duplicates Z: 12 26.060 2.155 0.589 0.918 1.000 0.818 CB 1.619 12 residues pruned to eliminate duplicates Z: 13 24.244 2.148 0.421 0.878 1.000 0.917 CB 1.664 13 residues pruned to eliminate duplicates Z: 35 37.522 2.320 0.753 0.542 0.941 0.647 CB 1.613 35 residues pruned to eliminate duplicates Z: 56 47.413 2.260 0.552 0.619 0.982 0.727 CB 1.659 56 residues pruned to eliminate duplicates Z: 18 48.218 2.401 0.923 0.869 1.000 0.882 CB 1.851 18 residues pruned to eliminate duplicates Z: 12 40.734 2.432 0.791 0.941 1.000 1.000 C 1.956 12 residues pruned to eliminate duplicates Z: 18 49.834 2.242 1.279 0.876 1.000 0.824 CB 1.718 18 residues pruned to eliminate duplicates Z: 13 27.168 2.409 0.437 0.874 1.000 1.000 CB 1.649 13 residues pruned to eliminate duplicates Z: 9 15.671 2.193 0.274 0.866 0.875 0.625 CB 1.660 Z: 10 20.939 2.110 0.665 0.829 0.889 0.556 C 1.681 10 residues pruned to eliminate duplicates Z: 10 22.552 2.045 0.553 0.871 1.000 0.889 CA 1.726 10 residues pruned to eliminate duplicates Z: 10 21.895 2.231 0.304 0.928 1.000 1.000 CA 1.757 10 residues pruned to eliminate duplicates Z: 13 26.784 2.188 0.385 0.900 1.000 0.917 CB 1.822 13 residues pruned to eliminate duplicates Z: 18 40.933 2.298 0.726 0.876 1.000 0.882 CB 1.818 18 residues pruned to eliminate duplicates Z: 15 27.411 2.276 0.174 0.914 1.000 1.000 CB 1.939 15 residues pruned to eliminate duplicates Z: 24 33.536 2.183 0.603 0.734 0.913 0.696 CB 1.774 24 residues pruned to eliminate duplicates Z: 15 48.592 2.281 1.182 0.897 1.000 0.857 CA 1.867 15 residues pruned to eliminate duplicates Z: 20 43.327 2.322 0.667 0.877 1.000 0.632 CA 1.865 22 residues pruned to eliminate duplicates Z: 13 37.399 2.325 0.996 0.926 1.000 0.917 CB 1.631 13 residues pruned to eliminate duplicates Z: 9 11.943 2.256 0.541 0.399 0.875 0.625 CA 1.543 9 residues pruned to eliminate duplicates Z: 13 26.024 2.003 0.639 0.883 1.000 0.833 CA 1.655 13 residues pruned to eliminate duplicates Z: 11 22.347 2.085 0.618 0.809 1.000 0.500 CA 1.601 11 residues pruned to eliminate duplicates Z: 13 32.783 2.278 0.799 0.912 0.917 0.917 C 1.784 13 residues pruned to eliminate duplicates Z: 18 41.505 2.403 0.727 0.849 1.000 0.706 CB 1.798 18 residues pruned to eliminate duplicates Z: 21 42.735 2.338 0.731 0.850 0.950 0.750 CA 1.841 20 residues pruned to eliminate duplicates Z: 10 19.357 2.143 0.452 0.886 1.000 0.556 CA 1.497 10 residues pruned to eliminate duplicates Z: 46 47.914 2.279 0.665 0.635 0.978 0.689 CB 1.696 46 residues pruned to eliminate duplicates Z: 16 35.209 2.167 0.675 0.929 1.000 1.000 C 1.752 15 residues pruned to eliminate duplicates Z: 15 42.009 2.294 0.804 0.934 1.000 1.000 CB 1.892 15 residues pruned to eliminate duplicates Z: 20 44.310 2.339 0.794 0.870 0.947 0.684 CA 1.867 21 residues pruned to eliminate duplicates Z: 10 16.425 2.020 0.438 0.865 0.889 0.444 CA 1.553 10 residues pruned to eliminate duplicates Z: 10 22.352 2.051 0.668 0.862 1.000 0.889 CA 1.600 10 residues pruned to eliminate duplicates Z: 11 17.319 2.119 0.115 0.921 1.000 0.900 CA 1.632 11 residues pruned to eliminate duplicates Z: 16 46.819 2.196 1.164 0.897 1.000 0.867 CA 1.821 16 residues pruned to eliminate duplicates Z: 9 21.926 2.215 0.372 0.873 1.000 1.000 CA 1.858 9 residues pruned to eliminate duplicates Z: 12 28.091 2.275 0.422 0.884 1.000 1.000 CB 1.891 12 residues pruned to eliminate duplicates Z: 13 49.576 2.511 0.908 0.933 1.000 0.833 C 2.084 15 residues pruned to eliminate duplicates Z: 75 46.977 2.196 0.590 0.588 0.946 0.716 CB 1.520 57 residues pruned to eliminate duplicates Z: 10 14.448 2.158 0.177 0.864 1.000 0.667 CA 1.391 Z: 10 15.055 2.187 0.031 0.875 1.000 0.889 CB 1.617 11 residues pruned to eliminate duplicates Z: 15 40.096 2.273 0.844 0.908 1.000 0.786 CA 1.815 15 residues pruned to eliminate duplicates Z: 73 67.051 2.347 0.651 0.665 0.972 0.722 CB 1.801 65 residues pruned to eliminate duplicates Z: 19 39.254 2.364 0.559 0.872 1.000 0.722 CA 1.830 19 residues pruned to eliminate duplicates Z: 9 18.618 2.174 0.546 0.874 0.875 0.625 CB 1.628 9 residues pruned to eliminate duplicates Z: 21 38.562 2.273 0.641 0.869 1.000 0.700 CA 1.688 21 residues pruned to eliminate duplicates Z: 12 27.887 2.288 0.521 0.888 1.000 0.909 CB 1.742 12 residues pruned to eliminate duplicates Z: 18 35.395 2.357 0.555 0.877 1.000 0.941 CB 1.700 18 residues pruned to eliminate duplicates Z: 12 27.083 2.315 0.431 0.871 1.000 0.909 CB 1.798 12 residues pruned to eliminate duplicates Z: 22 29.802 2.190 0.567 0.788 0.905 0.714 CB 1.625 22 residues pruned to eliminate duplicates Z: 15 54.317 2.320 1.264 0.941 1.000 0.714 CA 1.918 15 residues pruned to eliminate duplicates Z: 12 29.154 2.228 0.664 0.891 1.000 0.818 CB 1.704 12 residues pruned to eliminate duplicates Z: 11 20.684 2.124 0.382 0.918 1.000 0.900 CB 1.571 11 residues pruned to eliminate duplicates Z: 9 13.864 2.178 0.078 0.847 1.000 0.750 CA 1.550 9 residues pruned to eliminate duplicates Z: 67 50.946 2.255 0.696 0.604 0.909 0.576 CB 1.634 48 residues pruned to eliminate duplicates Z: 13 27.422 2.169 0.778 0.814 1.000 0.833 CB 1.562 13 residues pruned to eliminate duplicates Z: 12 35.364 2.319 0.826 0.852 1.000 0.909 CB 1.862 12 residues pruned to eliminate duplicates Z: 12 29.467 2.168 0.730 0.906 1.000 0.818 CB 1.683 12 residues pruned to eliminate duplicates Z: 16 56.562 2.454 1.073 0.932 1.000 1.000 C 2.005 17 residues pruned to eliminate duplicates Z: 16 47.600 2.509 0.795 0.929 1.000 1.000 C 1.909 16 residues pruned to eliminate duplicates Z: 9 16.779 2.103 0.355 0.807 1.000 0.875 CA 1.592 9 residues pruned to eliminate duplicates Z: 18 39.168 2.295 0.850 0.825 0.941 0.765 CB 1.794 18 residues pruned to eliminate duplicates Z: 13 28.276 2.156 0.580 0.897 1.000 0.833 CB 1.716 13 residues pruned to eliminate duplicates Z: 18 46.953 2.275 1.006 0.894 1.000 0.824 CB 1.790 18 residues pruned to eliminate duplicates Z: 18 42.152 2.288 0.705 0.905 1.000 1.000 CA 1.865 19 residues pruned to eliminate duplicates Z: 10 26.138 2.027 0.781 0.869 1.000 0.778 CB 1.763 10 residues pruned to eliminate duplicates Z: 18 37.928 2.284 0.598 0.900 1.000 0.824 CA 1.800 18 residues pruned to eliminate duplicates Z: 17 41.433 2.392 0.665 0.893 1.000 0.938 CB 1.867 17 residues pruned to eliminate duplicates Z: 13 28.779 2.171 0.593 0.874 1.000 0.917 CA 1.748 13 residues pruned to eliminate duplicates Z: 15 43.621 2.294 0.950 0.897 1.000 0.857 C 1.865 14 residues pruned to eliminate duplicates Z: 11 15.533 2.023 0.159 0.849 1.000 0.700 CA 1.553 10 residues pruned to eliminate duplicates Z: 12 30.329 2.254 0.725 0.871 1.000 0.818 CB 1.715 12 residues pruned to eliminate duplicates Z: 12 27.488 2.132 0.699 0.913 1.000 1.000 CA 1.620 12 residues pruned to eliminate duplicates Z: 43 36.679 2.285 0.666 0.502 0.905 0.714 CB 1.639 43 residues pruned to eliminate duplicates Z: 12 28.603 2.262 0.547 0.910 1.000 0.909 CB 1.748 12 residues pruned to eliminate duplicates Z: 13 34.873 2.375 0.844 0.853 1.000 0.667 CB 1.700 13 residues pruned to eliminate duplicates Z: 13 25.830 2.201 0.473 0.880 1.000 0.833 CB 1.667 13 residues pruned to eliminate duplicates Z: 109 72.323 2.319 0.680 0.618 0.898 0.611 CB 1.778 135 residues pruned to eliminate duplicates Z: 15 22.177 1.921 0.435 0.882 1.000 1.000 CB 1.556 Z: 21 32.511 2.249 0.571 0.823 0.900 0.750 CA 1.728 21 residues pruned to eliminate duplicates Z: 15 34.335 2.313 0.447 0.933 1.000 1.000 CA 1.913 15 residues pruned to eliminate duplicates Z: 9 27.154 2.397 0.744 0.866 1.000 0.875 CA 1.682 Z: 10 16.201 2.139 0.169 0.903 1.000 0.889 CB 1.540 10 residues pruned to eliminate duplicates Z: 14 24.480 1.945 0.587 0.912 1.000 0.846 CB 1.558 15 residues pruned to eliminate duplicates Z: 13 40.562 2.318 1.070 0.898 1.000 0.833 C 1.746 13 residues pruned to eliminate duplicates Z: 14 34.043 2.194 0.843 0.901 1.000 0.846 CA 1.667 14 residues pruned to eliminate duplicates Z: 43 37.759 2.276 0.736 0.482 0.905 0.667 CB 1.660 43 residues pruned to eliminate duplicates Z: 25 39.499 2.337 0.632 0.744 0.958 0.625 CA 1.772 25 residues pruned to eliminate duplicates Z: 46 49.743 2.284 0.702 0.626 1.000 0.733 CB 1.693 46 residues pruned to eliminate duplicates Z: 9 16.304 2.141 0.414 0.824 0.875 0.500 CA 1.644 9 residues pruned to eliminate duplicates Z: 11 12.793 2.020 0.218 0.784 0.900 0.900 CA 1.423 11 residues pruned to eliminate duplicates Z: 14 21.811 2.051 0.482 0.840 1.000 0.692 CB 1.486 Z: 17 43.657 2.409 0.682 0.905 1.000 0.875 CB 1.917 17 residues pruned to eliminate duplicates Z: 10 14.064 2.094 0.201 0.805 0.889 0.778 CA 1.606 10 residues pruned to eliminate duplicates Z: 26 42.912 2.222 0.744 0.788 1.000 0.640 CA 1.720 26 residues pruned to eliminate duplicates Z: 13 29.992 2.122 0.735 0.900 1.000 0.917 CA 1.680 13 residues pruned to eliminate duplicates Z: 13 23.699 2.090 0.565 0.869 1.000 1.000 CB 1.528 13 residues pruned to eliminate duplicates Z: 13 30.183 2.102 0.763 0.928 1.000 1.000 CA 1.647 14 residues pruned to eliminate duplicates Z: 10 20.450 2.218 0.246 0.910 1.000 1.000 CB 1.750 10 residues pruned to eliminate duplicates Z: 75 47.872 2.164 0.633 0.588 0.946 0.730 CB 1.530 74 residues pruned to eliminate duplicates Z: 18 36.705 2.386 0.557 0.839 1.000 0.882 CB 1.789 Z: 46 51.647 2.283 0.839 0.618 1.000 0.778 CB 1.639 46 residues pruned to eliminate duplicates Z: 12 27.085 2.135 0.931 0.834 0.909 0.818 CA 1.633 12 residues pruned to eliminate duplicates Z: 14 25.660 2.030 0.521 0.879 1.000 0.769 CB 1.671 14 residues pruned to eliminate duplicates Z: 74 54.364 2.220 0.676 0.642 0.932 0.603 CB 1.608 71 residues pruned to eliminate duplicates Z: 16 40.151 2.494 0.494 0.928 1.000 1.000 CB 1.949 18 residues pruned to eliminate duplicates Z: 15 41.014 2.308 0.988 0.932 0.929 0.786 CB 1.796 15 residues pruned to eliminate duplicates Z: 11 23.288 2.082 0.645 0.918 1.000 0.700 CA 1.516 10 residues pruned to eliminate duplicates Z: 9 13.321 2.108 0.142 0.784 0.875 0.750 CA 1.741 9 residues pruned to eliminate duplicates Z: 12 23.484 2.228 0.303 0.841 1.000 0.727 CB 1.819 12 residues pruned to eliminate duplicates Z: 12 33.189 2.351 0.686 0.863 1.000 0.909 CB 1.852 14 residues pruned to eliminate duplicates Z: 11 17.143 2.051 0.388 0.920 1.000 0.700 CA 1.341 11 residues pruned to eliminate duplicates Z: 10 12.367 1.866 0.115 0.863 1.000 0.778 CA 1.453 10 residues pruned to eliminate duplicates Z: 9 17.244 2.258 0.461 0.812 0.875 0.500 CA 1.610 10 residues pruned to eliminate duplicates Z: 21 37.314 2.329 0.621 0.868 0.900 0.750 CA 1.796 21 residues pruned to eliminate duplicates Z: 12 33.132 2.348 0.655 0.914 1.000 0.909 CA 1.819 12 residues pruned to eliminate duplicates Z: 15 23.235 1.915 0.642 0.885 1.000 0.857 CB 1.426 15 residues pruned to eliminate duplicates Z: 17 43.898 2.359 0.828 0.916 1.000 0.875 C 1.797 17 residues pruned to eliminate duplicates Z: 14 27.609 2.049 0.801 0.865 1.000 0.846 CB 1.519 14 residues pruned to eliminate duplicates Z: 16 14.759 1.835 0.794 0.402 0.933 0.733 CB 1.375 15 residues pruned to eliminate duplicates Z: 14 21.004 1.988 0.364 0.849 1.000 0.615 CA 1.593 14 residues pruned to eliminate duplicates Z: 25 41.423 2.253 0.617 0.768 1.000 0.708 CB 1.831 25 residues pruned to eliminate duplicates Z: 14 27.881 2.078 0.780 0.859 1.000 0.692 CB 1.539 14 residues pruned to eliminate duplicates Z: 11 20.773 2.147 0.196 0.864 1.000 0.900 C 1.876 11 residues pruned to eliminate duplicates Z: 12 19.282 1.973 0.382 0.928 1.000 0.909 CB 1.493 12 residues pruned to eliminate duplicates Z: 13 33.359 2.296 0.906 0.885 0.917 0.917 CA 1.733 13 residues pruned to eliminate duplicates Z: 16 39.283 2.487 0.482 0.934 1.000 1.000 C 1.918 16 residues pruned to eliminate duplicates Z: 10 22.017 2.155 0.495 0.929 1.000 1.000 CA 1.595 10 residues pruned to eliminate duplicates Z: 9 29.563 2.257 0.750 0.877 1.000 0.875 CA 1.921 9 residues pruned to eliminate duplicates Z: 10 13.501 2.161 0.019 0.927 1.000 0.889 CB 1.432 10 residues pruned to eliminate duplicates Z: 10 20.126 2.245 0.337 0.870 1.000 0.889 CA 1.631 10 residues pruned to eliminate duplicates Z: 10 12.602 1.972 0.225 0.799 0.889 0.778 CB 1.505 10 residues pruned to eliminate duplicates Z: 16 29.362 2.114 0.494 0.881 1.000 0.800 CB 1.738 16 residues pruned to eliminate duplicates Z: 18 46.074 2.313 0.852 0.896 1.000 0.824 CA 1.869 18 residues pruned to eliminate duplicates Z: 21 45.029 2.358 0.669 0.844 1.000 0.700 CA 1.902 21 residues pruned to eliminate duplicates Z: 11 19.659 2.134 0.301 0.921 1.000 1.000 CB 1.576 11 residues pruned to eliminate duplicates Z: 20 44.343 2.366 0.779 0.845 0.947 0.789 CA 1.896 20 residues pruned to eliminate duplicates Z: 88 65.072 2.282 0.688 0.627 0.966 0.632 CB 1.664 88 residues pruned to eliminate duplicates Z: 13 25.547 2.109 0.539 0.922 1.000 0.917 CA 1.597 13 residues pruned to eliminate duplicates Z: 123 78.711 2.299 0.727 0.584 0.934 0.557 CB 1.772 113 residues pruned to eliminate duplicates Z: 8 14.122 2.079 0.346 0.838 1.000 0.714 CB 1.426 8 residues pruned to eliminate duplicates Z: 12 19.784 2.215 0.119 0.900 1.000 0.909 CB 1.720 12 residues pruned to eliminate duplicates Z: 100 69.826 2.280 0.647 0.639 0.929 0.657 CB 1.765 100 residues pruned to eliminate duplicates Z: 10 21.810 2.199 0.352 0.902 1.000 1.000 CB 1.745 10 residues pruned to eliminate duplicates Z: 14 22.713 2.065 0.684 0.816 0.923 0.769 CB 1.491 14 residues pruned to eliminate duplicates Z: 16 46.461 2.501 0.702 0.925 1.000 0.933 CB 1.978 16 residues pruned to eliminate duplicates Z: 46 54.341 2.378 0.836 0.595 1.000 0.600 CB 1.694 46 residues pruned to eliminate duplicates Z: 9 15.414 2.235 0.193 0.801 1.000 0.625 CA 1.570 9 residues pruned to eliminate duplicates Z: 13 26.191 2.213 0.670 0.815 0.917 0.750 CB 1.698 13 residues pruned to eliminate duplicates Z: 21 42.014 2.250 0.723 0.833 1.000 0.700 CB 1.818 21 residues pruned to eliminate duplicates Z: 13 23.863 2.077 0.488 0.887 1.000 1.000 CB 1.608 13 residues pruned to eliminate duplicates Z: 16 58.986 2.438 1.132 0.952 1.000 0.933 CA 2.018 16 residues pruned to eliminate duplicates Z: 10 24.002 2.213 0.489 0.914 1.000 0.889 CA 1.718 10 residues pruned to eliminate duplicates Z: 12 26.158 2.220 0.392 0.853 1.000 0.636 CB 1.885 12 residues pruned to eliminate duplicates Z: 10 20.418 1.998 0.741 0.836 0.889 0.889 CA 1.647 10 residues pruned to eliminate duplicates Z: 15 18.251 1.895 0.222 0.885 1.000 0.857 CB 1.522 15 residues pruned to eliminate duplicates Z: 14 28.621 2.088 0.648 0.894 1.000 0.846 CB 1.654 14 residues pruned to eliminate duplicates Z: 12 30.574 2.335 0.473 0.899 1.000 0.818 CB 1.915 12 residues pruned to eliminate duplicates Z: 17 51.623 2.342 1.035 0.939 1.000 1.000 CA 1.882 17 residues pruned to eliminate duplicates Z: 11 34.712 2.261 0.890 0.912 1.000 1.000 CB 1.819 11 residues pruned to eliminate duplicates Z: 16 38.548 2.481 0.556 0.909 0.933 0.933 CB 1.960 16 residues pruned to eliminate duplicates Z: 19 38.794 2.176 0.852 0.856 1.000 0.778 CA 1.674 19 residues pruned to eliminate duplicates Z: 18 46.517 2.277 0.918 0.890 1.000 0.941 C 1.859 18 residues pruned to eliminate duplicates Z: 11 21.088 2.236 0.140 0.860 1.000 0.900 CB 1.923 11 residues pruned to eliminate duplicates Z: 10 12.704 2.112 0.564 0.369 0.889 0.667 CB 1.659 10 residues pruned to eliminate duplicates Z: 20 35.807 2.251 0.591 0.841 0.947 0.737 CA 1.806 20 residues pruned to eliminate duplicates Z: 7 21.401 2.339 0.807 0.696 1.000 0.667 CA 1.728 8 residues pruned to eliminate duplicates Z: 45 50.536 2.363 0.798 0.592 0.977 0.705 CB 1.681 45 residues pruned to eliminate duplicates Z: 8 21.393 2.203 0.503 0.895 1.000 0.714 C 1.750 8 residues pruned to eliminate duplicates Z: 16 55.038 2.487 1.012 0.947 1.000 0.933 C 1.962 24 residues pruned to eliminate duplicates Z: 15 34.285 2.223 0.725 0.871 1.000 0.786 C 1.743 15 residues pruned to eliminate duplicates Z: 15 48.134 2.237 1.179 0.915 1.000 0.786 CA 1.865 15 residues pruned to eliminate duplicates Z: 19 24.387 2.122 0.571 0.605 0.944 0.667 CB 1.653 15 residues pruned to eliminate duplicates Z: 10 23.440 2.213 0.588 0.910 1.000 0.889 CB 1.577 11 residues pruned to eliminate duplicates Z: 12 19.304 1.866 0.598 0.838 1.000 0.818 CB 1.459 11 residues pruned to eliminate duplicates Z: 15 41.620 2.231 1.007 0.890 1.000 0.643 CB 1.788 15 residues pruned to eliminate duplicates Z: 13 35.007 2.204 0.861 0.879 1.000 0.750 CA 1.787 13 residues pruned to eliminate duplicates Z: 13 31.742 2.174 0.857 0.875 1.000 0.917 CB 1.650 13 residues pruned to eliminate duplicates Z: 101 63.038 2.301 0.632 0.582 0.920 0.620 CB 1.687 101 residues pruned to eliminate duplicates Z: 11 21.526 1.962 0.787 0.920 1.000 0.900 CB 1.367 11 residues pruned to eliminate duplicates Z: 14 29.221 2.064 0.836 0.875 1.000 0.692 CB 1.555 14 residues pruned to eliminate duplicates Z: 16 48.122 2.203 1.248 0.940 1.000 0.733 CA 1.741 16 residues pruned to eliminate duplicates Z: 36 25.433 2.066 0.490 0.570 0.914 0.800 CB 1.427 36 residues pruned to eliminate duplicates Z: 11 15.209 2.107 0.043 0.919 1.000 0.900 CB 1.542 11 residues pruned to eliminate duplicates Z: 15 15.222 2.019 0.695 0.577 0.714 0.429 CB 1.546 15 residues pruned to eliminate duplicates Z: 12 14.511 2.040 0.873 0.457 1.000 0.818 CB 1.196 12 residues pruned to eliminate duplicates Z: 14 23.713 2.016 0.499 0.881 1.000 0.769 CB 1.576 13 residues pruned to eliminate duplicates Z: 13 27.691 2.201 0.603 0.869 1.000 0.833 CB 1.654 13 residues pruned to eliminate duplicates Z: 15 40.948 2.287 0.816 0.908 1.000 0.857 C 1.871 15 residues pruned to eliminate duplicates Z: 14 17.865 1.944 0.315 0.912 1.000 0.846 CB 1.372 14 residues pruned to eliminate duplicates Z: 99 69.790 2.310 0.642 0.649 0.908 0.592 CB 1.782 99 residues pruned to eliminate duplicates Z: 16 7.452 2.054 0.196 0.392 0.867 0.667 CB 1.013 Z: 10 18.551 2.153 0.658 0.834 0.889 0.778 CA 1.461 10 residues pruned to eliminate duplicates Z: 9 12.324 1.964 0.231 0.876 1.000 0.750 CB 1.310 9 residues pruned to eliminate duplicates Z: 17 38.839 2.489 0.503 0.878 1.000 0.938 CB 1.884 17 residues pruned to eliminate duplicates Z: 9 15.807 2.197 0.365 0.826 0.875 0.625 CA 1.606 9 residues pruned to eliminate duplicates Z: 9 19.567 2.149 0.294 0.855 1.000 0.875 C 1.836 9 residues pruned to eliminate duplicates Z: 12 26.491 2.252 0.378 0.931 1.000 0.909 CB 1.798 12 residues pruned to eliminate duplicates Z: 22 34.354 2.223 0.629 0.837 0.952 0.714 CB 1.625 22 residues pruned to eliminate duplicates Z: 10 17.544 2.084 0.509 0.875 0.889 0.667 C 1.521 10 residues pruned to eliminate duplicates Z: 19 37.207 2.408 0.995 0.595 0.944 0.556 CB 1.765 19 residues pruned to eliminate duplicates Z: 10 16.891 2.089 0.293 0.907 1.000 0.778 CB 1.482 10 residues pruned to eliminate duplicates Z: 17 46.230 2.261 0.959 0.926 1.000 0.938 CB 1.831 17 residues pruned to eliminate duplicates Z: 12 28.626 2.236 0.480 0.934 1.000 0.818 CB 1.820 12 residues pruned to eliminate duplicates Z: 14 28.369 2.058 0.660 0.855 1.000 0.615 CB 1.700 14 residues pruned to eliminate duplicates Z: 101 65.070 2.270 0.726 0.593 0.910 0.680 CB 1.669 101 residues pruned to eliminate duplicates Z: 12 30.064 2.243 0.643 0.873 1.000 0.727 CA 1.792 12 residues pruned to eliminate duplicates Z: 10 23.110 1.970 0.686 0.878 1.000 0.778 CA 1.684 10 residues pruned to eliminate duplicates Z: 10 15.107 2.127 0.092 0.867 1.000 0.667 CA 1.585 10 residues pruned to eliminate duplicates Z: 18 48.439 2.299 1.223 0.861 0.941 0.706 CA 1.794 18 residues pruned to eliminate duplicates Z: 12 17.661 2.111 0.396 0.918 1.000 0.909 CB 1.274 12 residues pruned to eliminate duplicates Z: 20 46.125 2.452 0.633 0.844 1.000 0.737 CA 1.967 20 residues pruned to eliminate duplicates Z: 17 33.376 2.375 0.330 0.918 1.000 0.938 CB 1.863 17 residues pruned to eliminate duplicates Z: 15 11.185 1.886 0.795 0.259 0.714 0.429 CB 1.628 4 residues pruned to eliminate duplicates Z: 6 3.030 1.660 0.506 0.381 0.800 0.400 CB 0.769 6 residues pruned to eliminate duplicates Z: 11 19.860 1.929 0.760 0.935 1.000 0.900 CB 1.288 11 residues pruned to eliminate duplicates Z: 26 26.165 2.088 0.499 0.666 0.960 0.760 CB 1.493 26 residues pruned to eliminate duplicates Z: 23 40.343 2.247 0.722 0.798 0.955 0.636 CB 1.795 23 residues pruned to eliminate duplicates Z: 14 23.326 1.961 0.478 0.922 1.000 0.923 CB 1.569 14 residues pruned to eliminate duplicates Z: 10 15.575 2.061 0.162 0.832 1.000 0.667 CA 1.628 10 residues pruned to eliminate duplicates Z: 11 24.582 2.129 0.550 0.933 1.000 0.900 CB 1.643 11 residues pruned to eliminate duplicates Z: 20 49.503 2.374 0.833 0.884 1.000 0.842 CA 1.886 20 residues pruned to eliminate duplicates Z: 51 37.750 2.224 0.600 0.563 0.900 0.740 CB 1.569 51 residues pruned to eliminate duplicates Z: 9 14.685 2.084 0.249 0.832 1.000 0.625 CA 1.497 9 residues pruned to eliminate duplicates Z: 11 22.978 2.240 0.805 0.821 0.900 0.800 CA 1.511 11 residues pruned to eliminate duplicates Z: 18 46.118 2.350 1.021 0.880 1.000 0.882 CB 1.707 18 residues pruned to eliminate duplicates Z: 13 29.384 2.118 0.712 0.897 1.000 0.917 CB 1.674 13 residues pruned to eliminate duplicates Z: 14 25.721 2.077 0.749 0.846 0.923 0.769 CB 1.581 14 residues pruned to eliminate duplicates Z: 7 17.026 2.266 0.256 0.896 1.000 1.000 CA 1.749 7 residues pruned to eliminate duplicates Z: 9 18.756 2.294 0.382 0.837 1.000 0.875 CA 1.565 9 residues pruned to eliminate duplicates Z: 24 37.533 2.225 0.571 0.803 0.957 0.522 CA 1.796 24 residues pruned to eliminate duplicates Z: 13 24.135 2.044 0.627 0.894 0.917 0.750 C 1.640 14 residues pruned to eliminate duplicates Z: 17 47.671 2.368 0.942 0.928 1.000 0.875 C 1.816 17 residues pruned to eliminate duplicates Z: 9 30.227 2.189 0.805 0.900 1.000 1.000 CB 1.931 9 residues pruned to eliminate duplicates Z: 12 41.818 2.432 1.001 0.927 0.909 0.909 CA 1.998 12 residues pruned to eliminate duplicates Z: 10 14.090 1.905 0.458 0.723 0.889 0.667 C 1.556 10 residues pruned to eliminate duplicates Z: 38 33.178 2.213 0.748 0.501 0.892 0.676 CB 1.579 38 residues pruned to eliminate duplicates Z: 94 54.484 2.242 0.716 0.559 0.882 0.677 CB 1.572 94 residues pruned to eliminate duplicates Z: 18 45.221 2.289 1.060 0.901 0.941 0.824 C 1.764 18 residues pruned to eliminate duplicates Z: 11 26.455 2.244 0.456 0.820 1.000 0.800 CA 1.941 11 residues pruned to eliminate duplicates Z: 11 21.754 1.945 0.840 0.911 1.000 0.800 CB 1.362 11 residues pruned to eliminate duplicates Z: 21 43.462 2.261 0.762 0.840 1.000 0.700 C 1.820 21 residues pruned to eliminate duplicates Z: 9 18.260 2.217 0.372 0.838 1.000 0.625 CA 1.586 9 residues pruned to eliminate duplicates Z: 102 70.051 2.275 0.643 0.657 0.931 0.663 CB 1.732 102 residues pruned to eliminate duplicates Z: 46 51.470 2.282 0.803 0.633 1.000 0.689 CB 1.645 46 residues pruned to eliminate duplicates Z: 14 23.587 2.041 0.611 0.817 1.000 0.769 CB 1.511 14 residues pruned to eliminate duplicates Z: 9 12.653 1.892 0.306 0.869 1.000 0.875 CB 1.322 9 residues pruned to eliminate duplicates Z: 12 34.225 2.297 0.896 0.937 1.000 0.273 CB 1.649 12 residues pruned to eliminate duplicates Z: 19 45.887 2.303 1.197 0.776 0.889 0.778 C 1.884 19 residues pruned to eliminate duplicates Z: 11 14.606 1.991 0.226 0.921 1.000 0.800 CB 1.332 11 residues pruned to eliminate duplicates Z: 13 29.032 2.106 0.723 0.901 1.000 0.750 CB 1.649 13 residues pruned to eliminate duplicates Z: 9 24.606 2.191 0.633 0.880 1.000 0.750 CB 1.763 9 residues pruned to eliminate duplicates Z: 18 33.898 2.291 0.635 0.908 0.941 0.882 CB 1.657 18 residues pruned to eliminate duplicates Z: 19 37.032 2.235 0.674 0.852 0.944 0.722 C 1.827 19 residues pruned to eliminate duplicates Z: 16 32.517 2.096 0.686 0.895 1.000 0.867 C 1.703 16 residues pruned to eliminate duplicates Z: 10 16.593 1.909 0.644 0.899 1.000 0.778 CB 1.259 10 residues pruned to eliminate duplicates Z: 12 28.597 2.163 0.948 0.904 1.000 0.909 CB 1.457 12 residues pruned to eliminate duplicates Z: 15 43.786 2.291 0.988 0.887 1.000 0.929 CB 1.851 15 residues pruned to eliminate duplicates Z: 92 59.384 2.229 0.700 0.581 0.912 0.637 CB 1.666 92 residues pruned to eliminate duplicates Z: 76 63.122 2.294 0.713 0.669 0.947 0.680 CB 1.676 74 residues pruned to eliminate duplicates Z: 16 23.658 2.014 0.653 0.739 0.933 0.733 CB 1.586 16 residues pruned to eliminate duplicates Z: 10 13.096 2.051 0.200 0.884 0.889 0.889 CA 1.442 10 residues pruned to eliminate duplicates Z: 12 35.579 2.404 0.630 0.897 1.000 0.909 CA 1.960 12 residues pruned to eliminate duplicates Z: 8 14.392 2.262 0.001 0.897 1.000 0.857 C 1.720 8 residues pruned to eliminate duplicates Z: 12 27.845 2.422 0.664 0.860 0.909 0.909 CB 1.685 12 residues pruned to eliminate duplicates Z: 13 16.331 1.987 0.279 0.906 1.000 0.833 CB 1.319 13 residues pruned to eliminate duplicates Z: 13 16.093 1.996 0.179 0.902 1.000 1.000 CB 1.408 13 residues pruned to eliminate duplicates Z: 73 38.824 2.118 0.526 0.558 0.903 0.694 CB 1.482 73 residues pruned to eliminate duplicates Z: 97 58.562 2.250 0.641 0.557 0.906 0.625 CB 1.691 97 residues pruned to eliminate duplicates Z: 9 14.667 2.015 0.440 0.871 1.000 0.625 CB 1.304 9 residues pruned to eliminate duplicates Z: 22 33.213 2.169 0.755 0.766 0.905 0.619 CB 1.663 22 residues pruned to eliminate duplicates Z: 21 34.350 2.208 0.680 0.826 0.850 0.650 CA 1.837 21 residues pruned to eliminate duplicates Z: 13 32.032 2.149 0.860 0.885 1.000 0.917 CB 1.670 13 residues pruned to eliminate duplicates Z: 15 36.378 2.190 0.842 0.880 1.000 0.929 C 1.746 15 residues pruned to eliminate duplicates Z: 14 47.305 2.346 1.281 0.943 0.923 0.692 C 1.841 14 residues pruned to eliminate duplicates Z: 35 33.873 2.278 0.564 0.530 0.941 0.735 CB 1.682 35 residues pruned to eliminate duplicates Z: 98 68.369 2.248 0.743 0.680 0.928 0.691 CB 1.619 94 residues pruned to eliminate duplicates Z: 14 22.059 2.015 0.461 0.868 1.000 0.692 CB 1.519 14 residues pruned to eliminate duplicates Z: 13 27.492 2.084 0.762 0.910 1.000 0.667 CB 1.533 13 residues pruned to eliminate duplicates Z: 16 27.062 2.080 0.521 0.891 1.000 0.667 C 1.587 16 residues pruned to eliminate duplicates Z: 12 35.087 2.350 0.760 0.868 1.000 0.909 CB 1.870 12 residues pruned to eliminate duplicates Z: 10 10.207 2.113 -0.197 0.922 1.000 1.000 CB 1.411 10 residues pruned to eliminate duplicates Z: 12 26.921 2.356 0.258 0.928 1.000 0.909 CB 1.918 12 residues pruned to eliminate duplicates Z: 14 40.146 2.306 0.826 0.894 1.000 0.769 CA 1.897 14 residues pruned to eliminate duplicates Z: 7 4.851 1.600 0.416 0.287 0.833 0.833 N 1.332 7 residues pruned to eliminate duplicates Z: 19 29.114 2.149 0.514 0.838 0.944 0.833 CB 1.670 19 residues pruned to eliminate duplicates Z: 10 6.877 1.894 0.280 0.385 0.889 0.556 CB 1.202 10 residues pruned to eliminate duplicates Z: 15 8.397 2.104 0.164 0.420 0.857 0.429 CB 1.162 16 residues pruned to eliminate duplicates Z: 17 38.337 2.397 0.608 0.847 1.000 0.562 CB 1.847 17 residues pruned to eliminate duplicates Z: 99 68.943 2.265 0.670 0.670 0.949 0.735 CB 1.658 99 residues pruned to eliminate duplicates Z: 11 22.559 2.017 0.722 0.905 1.000 0.900 CB 1.463 11 residues pruned to eliminate duplicates Z: 17 15.550 1.856 0.376 0.723 0.938 0.688 CB 1.328 17 residues pruned to eliminate duplicates Z: 11 6.264 1.900 0.592 0.243 0.800 0.400 CB 1.102 8 residues pruned to eliminate duplicates Z: 11 25.349 2.116 0.645 0.909 1.000 0.800 CB 1.633 11 residues pruned to eliminate duplicates Z: 10 12.725 2.006 0.074 0.850 1.000 0.667 CA 1.458 10 residues pruned to eliminate duplicates Z: 15 16.930 1.842 0.392 0.892 1.000 0.786 CB 1.268 15 residues pruned to eliminate duplicates Z: 22 35.556 2.158 0.752 0.833 0.905 0.810 CB 1.701 22 residues pruned to eliminate duplicates Z: 16 8.240 1.956 0.399 0.300 0.867 0.467 CB 1.122 14 residues pruned to eliminate duplicates Z: 6 4.298 1.531 0.786 0.423 0.600 0.600 CA 1.268 6 residues pruned to eliminate duplicates Z: 9 15.719 2.013 0.421 0.881 1.000 0.625 CB 1.407 9 residues pruned to eliminate duplicates Z: 8 8.004 1.815 0.283 0.686 0.857 0.857 CA 1.278 8 residues pruned to eliminate duplicates Z: 12 16.027 1.851 0.544 0.863 1.000 0.818 CB 1.241 12 residues pruned to eliminate duplicates Z: 36 46.415 2.248 0.869 0.724 0.943 0.771 CB 1.618 36 residues pruned to eliminate duplicates Z: 19 18.071 2.095 0.225 0.611 0.944 0.722 CB 1.582 19 residues pruned to eliminate duplicates Z: 11 14.350 2.107 0.060 0.938 1.000 1.000 CB 1.413 11 residues pruned to eliminate duplicates Z: 13 25.943 2.071 0.555 0.916 1.000 0.833 C 1.642 13 residues pruned to eliminate duplicates Z: 11 16.499 1.969 0.349 0.875 1.000 0.800 CA 1.429 11 residues pruned to eliminate duplicates Z: 100 66.851 2.257 0.680 0.663 0.939 0.667 CB 1.622 100 residues pruned to eliminate duplicates Z: 13 28.725 2.153 0.881 0.880 0.917 0.750 CB 1.619 13 residues pruned to eliminate duplicates Z: 18 38.158 2.365 0.626 0.860 1.000 0.765 CB 1.769 18 residues pruned to eliminate duplicates Z: 13 26.952 2.159 0.846 0.857 0.917 0.750 CB 1.569 13 residues pruned to eliminate duplicates Z: 15 24.918 1.917 0.678 0.884 1.000 0.857 CB 1.496 15 residues pruned to eliminate duplicates Z: 17 32.427 2.339 0.348 0.901 1.000 0.812 CB 1.834 17 residues pruned to eliminate duplicates Z: 99 68.155 2.244 0.760 0.672 0.918 0.704 CB 1.619 99 residues pruned to eliminate duplicates Z: 15 28.274 2.181 0.495 0.880 1.000 0.857 C 1.679 15 residues pruned to eliminate duplicates Z: 22 36.416 2.220 0.564 0.843 0.952 0.810 C 1.790 22 residues pruned to eliminate duplicates Z: 13 17.977 2.214 0.650 0.593 0.833 0.750 CB 1.559 13 residues pruned to eliminate duplicates Z: 14 12.153 2.201 0.399 0.370 0.923 0.692 CB 1.363 15 residues pruned to eliminate duplicates Z: 46 55.339 2.319 0.936 0.611 0.978 0.667 CB 1.692 46 residues pruned to eliminate duplicates Z: 15 18.924 1.864 0.534 0.877 1.000 0.786 CB 1.284 15 residues pruned to eliminate duplicates Z: 36 53.664 2.322 0.812 0.669 1.000 0.686 CB 1.845 32 residues pruned to eliminate duplicates Z: 68 52.469 2.260 0.661 0.576 0.910 0.642 CB 1.743 68 residues pruned to eliminate duplicates Z: 103 75.440 2.310 0.756 0.636 0.931 0.637 CB 1.742 103 residues pruned to eliminate duplicates Z: 10 28.486 2.366 0.498 0.918 1.000 1.000 CB 1.890 10 residues pruned to eliminate duplicates Z: 10 15.114 1.921 0.393 0.889 1.000 1.000 CB 1.355 10 residues pruned to eliminate duplicates Z: 15 14.325 2.084 0.210 0.740 0.857 0.786 CB 1.429 15 residues pruned to eliminate duplicates Z: 17 47.661 2.281 1.068 0.867 1.000 0.688 CA 1.848 17 residues pruned to eliminate duplicates Z: 13 24.640 2.106 0.625 0.898 1.000 0.833 CB 1.486 13 residues pruned to eliminate duplicates Z: 15 36.627 2.294 0.547 0.949 1.000 1.000 CB 1.904 15 residues pruned to eliminate duplicates Z: 14 24.183 2.006 0.609 0.845 1.000 0.615 CA 1.545 14 residues pruned to eliminate duplicates Z: 15 26.923 2.142 0.648 0.903 0.857 0.714 CB 1.695 15 residues pruned to eliminate duplicates Z: 47 35.164 2.255 0.678 0.476 0.913 0.652 CB 1.538 47 residues pruned to eliminate duplicates Z: 12 17.810 2.027 0.439 0.906 0.909 0.909 CB 1.440 12 residues pruned to eliminate duplicates Z: 12 20.597 2.099 0.308 0.909 1.000 0.909 CB 1.606 12 residues pruned to eliminate duplicates Z: 14 22.344 2.071 0.473 0.880 1.000 1.000 CB 1.472 14 residues pruned to eliminate duplicates Z: 20 33.256 2.182 0.577 0.873 0.947 0.632 CB 1.705 20 residues pruned to eliminate duplicates Z: 13 22.405 2.070 0.644 0.818 0.917 0.583 CB 1.574 13 residues pruned to eliminate duplicates Z: 9 14.363 1.901 0.473 0.840 1.000 0.750 CB 1.353 9 residues pruned to eliminate duplicates Z: 13 34.079 2.228 0.950 0.913 0.917 0.833 C 1.749 13 residues pruned to eliminate duplicates Z: 72 44.254 2.193 0.551 0.565 0.944 0.718 CB 1.537 72 residues pruned to eliminate duplicates Z: 11 14.764 1.936 0.240 0.925 1.000 1.000 CB 1.365 11 residues pruned to eliminate duplicates Z: 27 16.289 2.109 0.320 0.483 0.885 0.615 CB 1.320 27 residues pruned to eliminate duplicates Z: 45 49.392 2.270 0.764 0.632 1.000 0.614 CB 1.642 45 residues pruned to eliminate duplicates Z: 16 18.931 2.128 0.618 0.505 0.867 0.467 CA 1.630 16 residues pruned to eliminate duplicates Z: 65 41.252 2.141 0.656 0.559 0.922 0.562 CB 1.489 65 residues pruned to eliminate duplicates Z: 13 23.784 2.094 0.365 0.942 1.000 1.000 CA 1.665 13 residues pruned to eliminate duplicates Z: 21 19.149 2.150 0.435 0.621 0.900 0.700 CB 1.376 21 residues pruned to eliminate duplicates Z: 9 12.237 1.833 0.338 0.889 1.000 0.875 CB 1.270 9 residues pruned to eliminate duplicates Z: 13 16.835 1.966 0.137 0.907 1.000 1.000 CB 1.545 13 residues pruned to eliminate duplicates Z: 16 16.928 2.058 0.461 0.498 1.000 0.600 CB 1.456 16 residues pruned to eliminate duplicates Z: 40 51.366 2.257 0.929 0.627 0.949 0.538 CB 1.767 34 residues pruned to eliminate duplicates Z: 13 20.405 2.134 0.390 0.899 1.000 0.917 CB 1.420 13 residues pruned to eliminate duplicates Z: 26 28.038 2.159 0.585 0.602 0.960 0.720 CB 1.548 26 residues pruned to eliminate duplicates Z: 11 18.344 1.992 0.548 0.890 1.000 0.900 CB 1.354 11 residues pruned to eliminate duplicates Z: 13 20.759 2.031 0.514 0.894 1.000 0.917 CB 1.397 13 residues pruned to eliminate duplicates Z: 13 25.736 2.257 0.575 0.689 1.000 1.000 C 1.757 13 residues pruned to eliminate duplicates Z: 14 13.985 1.882 0.490 0.748 0.769 0.615 C 1.441 14 residues pruned to eliminate duplicates Z: 20 21.542 2.190 0.536 0.545 0.842 0.684 CB 1.670 20 residues pruned to eliminate duplicates Z: 99 66.662 2.258 0.700 0.672 0.929 0.745 CB 1.612 99 residues pruned to eliminate duplicates Z: 42 40.390 2.191 0.604 0.624 0.976 0.634 CB 1.637 42 residues pruned to eliminate duplicates Z: 61 39.208 2.186 0.510 0.578 0.917 0.700 CB 1.552 61 residues pruned to eliminate duplicates Z: 16 8.385 1.932 0.479 0.340 0.800 0.600 CB 1.128 16 residues pruned to eliminate duplicates Z: 17 13.470 2.056 0.661 0.331 0.875 0.688 CB 1.355 17 residues pruned to eliminate duplicates Z: 14 27.588 2.019 0.751 0.933 1.000 0.923 CB 1.510 14 residues pruned to eliminate duplicates Z: 16 29.854 2.134 0.422 0.925 1.000 1.000 CA 1.783 16 residues pruned to eliminate duplicates Z: 12 28.824 2.118 0.926 0.893 1.000 0.727 CB 1.529 12 residues pruned to eliminate duplicates Z: 9 14.216 1.931 0.401 0.879 1.000 1.000 CB 1.347 9 residues pruned to eliminate duplicates Z: 54 43.749 2.180 0.700 0.685 0.887 0.679 CB 1.543 54 residues pruned to eliminate duplicates Z: 29 27.234 2.187 0.431 0.577 0.929 0.750 CB 1.644 29 residues pruned to eliminate duplicates Z: 14 21.607 1.916 0.668 0.929 1.000 0.923 C 1.312 14 residues pruned to eliminate duplicates Z: 13 19.753 2.009 0.468 0.910 0.917 0.833 CB 1.495 13 residues pruned to eliminate duplicates Z: 13 18.337 2.108 0.256 0.854 1.000 0.833 CB 1.477 13 residues pruned to eliminate duplicates Z: 103 63.407 2.224 0.685 0.635 0.902 0.618 CB 1.637 103 residues pruned to eliminate duplicates Z: 75 58.497 2.289 0.782 0.593 0.959 0.676 CB 1.589 75 residues pruned to eliminate duplicates Z: 77 44.668 2.198 0.524 0.615 0.895 0.697 CB 1.533 77 residues pruned to eliminate duplicates Z: 11 9.947 1.972 0.775 0.399 0.900 0.800 CB 1.110 11 residues pruned to eliminate duplicates Z: 46 50.922 2.364 0.820 0.602 0.889 0.600 CB 1.801 36 residues pruned to eliminate duplicates Z: 16 21.107 1.823 0.644 0.850 1.000 0.733 CB 1.347 16 residues pruned to eliminate duplicates Z: 6 6.914 2.305 0.343 0.435 0.800 0.400 CB 1.336 6 residues pruned to eliminate duplicates Z: 76 51.293 2.235 0.590 0.648 0.907 0.693 CB 1.600 76 residues pruned to eliminate duplicates Z: 11 26.628 2.196 0.960 0.807 1.000 0.500 CB 1.497 11 residues pruned to eliminate duplicates Z: 16 9.414 2.101 0.710 0.315 0.667 0.600 CB 1.244 16 residues pruned to eliminate duplicates Z: 17 25.177 2.164 0.721 0.638 0.938 0.688 CB 1.584 17 residues pruned to eliminate duplicates Z: 15 44.589 2.279 1.052 0.917 1.000 0.714 C 1.798 15 residues pruned to eliminate duplicates 6 1.974 1.405 0.011 0.382 0.800 0.600 CA 0.881 ? Z: 41 33.872 2.119 0.723 0.503 0.925 0.575 CB 1.581 41 residues pruned to eliminate duplicates Z: 15 40.840 2.214 1.001 0.913 1.000 0.786 C 1.743 15 residues pruned to eliminate duplicates Z: 14 26.376 1.944 0.729 0.894 1.000 0.846 CB 1.562 14 residues pruned to eliminate duplicates Z: 9 4.571 1.536 0.452 0.391 0.875 0.625 C 0.929 9 residues pruned to eliminate duplicates Z: 38 36.191 2.212 0.627 0.701 0.892 0.784 CB 1.543 38 residues pruned to eliminate duplicates Z: 9 15.080 2.112 0.659 0.491 1.000 0.750 CA 1.536 9 residues pruned to eliminate duplicates Z: 126 68.674 2.245 0.715 0.567 0.952 0.688 CB 1.570 126 residues pruned to eliminate duplicates Z: 10 29.398 2.130 0.864 0.930 1.000 0.889 CA 1.726 10 residues pruned to eliminate duplicates Z: 14 27.290 2.098 0.590 0.908 1.000 0.923 CA 1.612 14 residues pruned to eliminate duplicates Z: 9 12.367 1.990 0.235 0.821 0.875 0.500 C 1.539 9 residues pruned to eliminate duplicates Z: 9 8.177 1.712 0.400 0.452 1.000 0.500 CB 1.267 10 residues pruned to eliminate duplicates Z: 9 21.183 2.072 0.612 0.888 1.000 0.875 CB 1.616 9 residues pruned to eliminate duplicates Z: 98 66.001 2.231 0.701 0.669 0.928 0.691 CB 1.629 98 residues pruned to eliminate duplicates Z: 8 22.179 2.213 0.883 0.744 1.000 0.857 C 1.617 8 residues pruned to eliminate duplicates Z: 15 31.267 2.058 0.730 0.905 1.000 0.643 CA 1.670 15 residues pruned to eliminate duplicates Z: 16 10.734 2.044 0.396 0.388 0.933 0.600 CB 1.173 16 residues pruned to eliminate duplicates Z: 79 65.727 2.321 0.712 0.622 0.910 0.641 CB 1.834 79 residues pruned to eliminate duplicates Z: 15 7.589 1.839 0.371 0.428 0.929 0.571 CB 0.934 16 residues pruned to eliminate duplicates Z: 21 40.073 2.254 0.833 0.868 0.900 0.750 CA 1.761 21 residues pruned to eliminate duplicates Z: 40 47.108 2.309 0.699 0.634 0.949 0.615 CB 1.787 40 residues pruned to eliminate duplicates Z: 8 8.333 1.982 -0.041 0.815 0.857 0.857 CB 1.470 8 residues pruned to eliminate duplicates Z: 11 32.839 2.225 0.791 0.925 1.000 0.700 CB 1.829 11 residues pruned to eliminate duplicates Z: 8 24.838 2.314 0.523 0.871 1.000 0.857 CB 1.944 8 residues pruned to eliminate duplicates Z: 36 48.958 2.296 0.724 0.669 0.971 0.600 CA 1.840 36 residues pruned to eliminate duplicates Z: 66 59.877 2.324 0.623 0.691 0.954 0.708 CB 1.734 66 residues pruned to eliminate duplicates Z: 40 40.275 2.229 0.664 0.703 0.949 0.769 CB 1.524 40 residues pruned to eliminate duplicates Z: 14 45.608 2.415 0.865 0.929 1.000 0.923 C 1.966 14 residues pruned to eliminate duplicates Z: 14 18.783 2.008 0.250 0.874 1.000 0.923 CB 1.511 14 residues pruned to eliminate duplicates Z: 10 15.968 2.114 0.236 0.913 1.000 0.889 CB 1.442 10 residues pruned to eliminate duplicates Z: 30 44.058 2.261 1.043 0.591 0.897 0.586 CB 1.811 30 residues pruned to eliminate duplicates Z: 17 9.664 2.008 0.420 0.407 0.875 0.562 CB 1.067 17 residues pruned to eliminate duplicates Z: 10 17.766 1.791 0.657 0.902 1.000 1.000 CA 1.423 10 residues pruned to eliminate duplicates Z: 62 46.806 2.240 0.507 0.637 0.934 0.656 CB 1.671 62 residues pruned to eliminate duplicates Z: 6 2.079 1.278 -0.008 0.559 0.800 0.200 N 0.865 Z: 7 18.356 2.181 0.886 0.703 1.000 1.000 CA 1.514 7 residues pruned to eliminate duplicates Z: 11 12.974 2.037 0.788 0.439 0.800 0.700 CB 1.500 11 residues pruned to eliminate duplicates Z: 10 18.692 2.056 0.369 0.868 1.000 0.889 CA 1.617 10 residues pruned to eliminate duplicates Z: 42 47.934 2.323 0.821 0.633 0.951 0.707 CB 1.643 42 residues pruned to eliminate duplicates Z: 133 73.584 2.291 0.691 0.588 0.909 0.629 CB 1.671 230 residues pruned to eliminate duplicates 6 1.647 1.640 0.220 0.390 0.800 0.400 CB 0.517 ? Z: 15 11.720 1.766 0.476 0.685 0.786 0.714 CB 1.291 Z: 26 50.557 2.306 1.099 0.743 0.960 0.800 CB 1.750 Z: 14 12.201 2.115 0.486 0.349 0.923 0.615 CB 1.373 14 residues pruned to eliminate duplicates Z: 18 40.152 2.255 0.800 0.918 1.000 0.882 C 1.692 18 residues pruned to eliminate duplicates Z: 13 23.684 2.024 0.475 0.899 1.000 0.833 CB 1.637 Z: 15 15.873 1.867 0.404 0.848 0.929 0.857 CB 1.293 15 residues pruned to eliminate duplicates 6 0.958 1.378 -0.202 0.100 0.800 0.600 CB 0.811 ? Z: 36 32.752 2.249 0.533 0.600 0.943 0.714 CB 1.548 36 residues pruned to eliminate duplicates Z: 27 27.147 1.999 0.871 0.506 0.962 0.615 CB 1.471 27 residues pruned to eliminate duplicates Z: 25 36.400 2.142 0.818 0.663 1.000 0.750 CB 1.642 25 residues pruned to eliminate duplicates Z: 9 6.307 1.891 0.632 0.348 0.875 0.500 CB 0.973 9 residues pruned to eliminate duplicates Z: 30 33.073 2.229 0.806 0.549 0.931 0.724 CB 1.562 30 residues pruned to eliminate duplicates Z: 12 19.680 2.046 0.632 0.780 0.909 0.455 C 1.527 15 residues pruned to eliminate duplicates Z: 15 7.642 1.833 0.309 0.334 0.857 0.429 CB 1.191 15 residues pruned to eliminate duplicates Z: 29 29.400 2.169 0.543 0.587 0.929 0.786 CB 1.645 29 residues pruned to eliminate duplicates Z: 29 20.947 2.103 0.381 0.592 0.929 0.821 CB 1.343 29 residues pruned to eliminate duplicates Z: 9 18.173 2.417 0.401 0.820 1.000 0.750 CB 1.438 9 residues pruned to eliminate duplicates Z: 12 15.755 2.118 0.855 0.365 0.818 0.455 CA 1.709 14 residues pruned to eliminate duplicates Z: 12 8.451 1.982 -0.116 0.748 0.909 0.909 CB 1.282 12 residues pruned to eliminate duplicates Z: 30 39.162 2.265 0.775 0.517 1.000 0.690 CB 1.779 30 residues pruned to eliminate duplicates Z: 21 12.733 2.023 0.396 0.464 0.900 0.650 CB 1.162 21 residues pruned to eliminate duplicates Z: 8 15.592 1.900 0.715 0.865 1.000 1.000 CB 1.325 8 residues pruned to eliminate duplicates Z: 9 13.096 2.239 0.212 0.819 1.000 0.625 CA 1.293 9 residues pruned to eliminate duplicates Z: 10 12.862 2.049 0.930 0.354 0.889 0.889 CA 1.427 10 residues pruned to eliminate duplicates Z: 9 19.464 2.060 0.503 0.898 1.000 0.500 C 1.589 9 residues pruned to eliminate duplicates Z: 30 37.939 2.298 0.982 0.508 0.897 0.759 CB 1.711 30 residues pruned to eliminate duplicates Z: 17 60.656 2.397 1.285 0.911 1.000 0.688 CA 1.962 17 residues pruned to eliminate duplicates Z: 17 13.152 2.035 0.098 0.606 0.938 0.875 CB 1.420 17 residues pruned to eliminate duplicates Z: 15 18.959 1.796 0.583 0.870 1.000 0.929 CB 1.300 15 residues pruned to eliminate duplicates Z: 85 55.519 2.223 0.625 0.629 0.917 0.702 CB 1.620 38 residues pruned to eliminate duplicates Z: 9 24.971 2.298 0.980 0.656 0.875 0.875 CA 1.919 9 residues pruned to eliminate duplicates Z: 9 9.614 1.500 0.561 0.840 0.875 0.500 N 1.238 9 residues pruned to eliminate duplicates Z: 15 58.990 2.268 1.600 0.939 1.000 0.786 CA 1.858 16 residues pruned to eliminate duplicates Z: 148 82.300 2.243 0.785 0.597 0.939 0.585 CB 1.647 148 residues pruned to eliminate duplicates Z: 13 19.839 1.951 0.749 0.797 0.833 0.500 CB 1.552 13 residues pruned to eliminate duplicates Z: 35 33.586 2.154 0.719 0.561 0.912 0.500 CA 1.608 35 residues pruned to eliminate duplicates Z: 13 21.335 2.050 0.423 0.915 1.000 0.917 CB 1.493 13 residues pruned to eliminate duplicates Z: 21 40.145 2.343 0.486 0.873 1.000 0.800 CA 1.878 21 residues pruned to eliminate duplicates Z: 66 53.166 2.214 0.696 0.653 0.923 0.677 CB 1.649 66 residues pruned to eliminate duplicates Z: 18 15.100 2.045 0.447 0.348 0.882 0.471 C 1.654 18 residues pruned to eliminate duplicates Z: 40 41.836 2.223 0.811 0.597 0.949 0.564 CB 1.599 40 residues pruned to eliminate duplicates Z: 108 76.277 2.271 0.739 0.625 0.953 0.664 CB 1.741 108 residues pruned to eliminate duplicates Z: 17 40.908 2.475 0.558 0.873 1.000 0.750 CB 1.932 17 residues pruned to eliminate duplicates Z: 24 22.722 2.253 0.675 0.465 0.870 0.652 CB 1.496 24 residues pruned to eliminate duplicates Z: 13 17.207 2.012 0.464 0.675 1.000 0.500 CA 1.436 13 residues pruned to eliminate duplicates Z: 49 50.669 2.263 0.838 0.648 0.896 0.604 CB 1.709 49 residues pruned to eliminate duplicates Z: 12 30.719 2.302 0.768 0.852 1.000 0.909 CB 1.683 12 residues pruned to eliminate duplicates Z: 11 13.534 2.209 1.002 0.247 1.000 0.500 CB 1.296 11 residues pruned to eliminate duplicates Z: 9 19.977 2.134 0.449 0.866 1.000 0.875 CA 1.672 9 residues pruned to eliminate duplicates Z: 9 29.707 2.091 1.276 0.834 1.000 0.625 CA 1.654 9 residues pruned to eliminate duplicates Z: 26 30.989 2.038 0.655 0.743 0.960 0.720 CB 1.541 26 residues pruned to eliminate duplicates Z: 72 64.807 2.358 0.731 0.648 0.915 0.648 CB 1.793 72 residues pruned to eliminate duplicates Z: 28 35.806 2.281 0.564 0.645 1.000 0.778 CB 1.687 28 residues pruned to eliminate duplicates Z: 11 16.237 1.877 0.347 0.919 1.000 0.900 CB 1.431 11 residues pruned to eliminate duplicates Z: 86 61.987 2.291 0.550 0.645 0.941 0.729 CB 1.756 86 residues pruned to eliminate duplicates Z: 20 23.271 1.953 0.911 0.704 0.842 0.474 CB 1.411 20 residues pruned to eliminate duplicates Z: 14 24.247 1.976 0.484 0.913 1.000 0.923 CB 1.622 14 residues pruned to eliminate duplicates Z: 10 16.288 2.101 0.171 0.847 1.000 0.889 CB 1.638 10 residues pruned to eliminate duplicates Z: 10 9.053 2.078 0.274 0.290 1.000 0.556 CB 1.443 10 residues pruned to eliminate duplicates Z: 13 33.562 2.190 1.077 0.836 1.000 0.917 CB 1.595 13 residues pruned to eliminate duplicates Z: 13 27.122 2.077 0.753 0.917 1.000 1.000 CB 1.517 13 residues pruned to eliminate duplicates Z: 30 40.356 2.318 0.985 0.619 0.897 0.690 CB 1.623 30 residues pruned to eliminate duplicates Z: 6 19.949 2.394 0.965 0.536 1.000 0.800 CB 1.830 6 residues pruned to eliminate duplicates Z: 21 24.075 2.152 0.586 0.632 0.950 0.800 CB 1.466 21 residues pruned to eliminate duplicates Z: 42 49.273 2.314 0.806 0.612 0.951 0.683 CB 1.740 42 residues pruned to eliminate duplicates Z: 47 35.854 2.223 0.508 0.543 0.957 0.630 CB 1.580 47 residues pruned to eliminate duplicates Z: 6 2.743 1.321 0.322 0.396 1.000 0.600 C 0.784 Z: 8 14.367 1.918 0.808 0.665 1.000 0.857 C 1.344 8 residues pruned to eliminate duplicates Z: 12 20.867 2.107 0.612 0.921 0.909 0.818 CB 1.434 12 residues pruned to eliminate duplicates Z: 6 2.739 1.497 0.317 0.421 0.800 0.400 CB 0.844 Z: 10 16.226 2.011 0.383 0.867 0.889 0.778 CA 1.600 10 residues pruned to eliminate duplicates Z: 41 41.291 2.236 0.569 0.599 0.950 0.600 CB 1.783 41 residues pruned to eliminate duplicates Z: 39 48.305 2.236 0.894 0.626 0.921 0.632 CB 1.784 39 residues pruned to eliminate duplicates Z: 15 19.828 2.194 0.232 0.711 1.000 0.929 CB 1.620 15 residues pruned to eliminate duplicates Z: 16 43.175 2.374 0.834 0.893 1.000 0.733 CB 1.839 16 residues pruned to eliminate duplicates Z: 40 36.993 2.228 0.729 0.552 0.897 0.590 CB 1.630 40 residues pruned to eliminate duplicates Z: 13 15.416 2.353 0.616 0.385 0.917 0.750 CB 1.443 13 residues pruned to eliminate duplicates Z: 32 38.036 2.254 0.831 0.621 0.903 0.645 CB 1.635 32 residues pruned to eliminate duplicates Z: 6 6.650 2.162 0.055 0.590 0.800 0.600 C 1.496 6 residues pruned to eliminate duplicates Z: 7 2.198 1.421 -0.101 0.244 1.000 0.667 O 0.943 Z: 7 10.103 1.753 0.572 0.794 0.833 0.500 C 1.388 7 residues pruned to eliminate duplicates Z: 15 13.190 2.087 0.295 0.642 0.929 0.786 CB 1.231 15 residues pruned to eliminate duplicates Z: 95 59.421 2.190 0.747 0.625 0.904 0.617 CB 1.574 95 residues pruned to eliminate duplicates Z: 18 43.628 2.270 0.972 0.915 1.000 0.941 C 1.670 18 residues pruned to eliminate duplicates Z: 58 51.543 2.348 0.652 0.604 0.912 0.632 CB 1.748 58 residues pruned to eliminate duplicates Z: 10 10.204 1.929 0.173 0.683 1.000 0.778 CA 1.271 10 residues pruned to eliminate duplicates Z: 61 49.407 2.296 0.741 0.520 0.933 0.633 CB 1.676 61 residues pruned to eliminate duplicates Z: 16 54.710 2.500 1.004 0.946 1.000 0.867 C 1.950 16 residues pruned to eliminate duplicates Z: 17 22.703 2.333 0.780 0.509 0.875 0.688 CB 1.549 17 residues pruned to eliminate duplicates Z: 44 40.899 2.343 0.597 0.520 0.953 0.744 CB 1.714 44 residues pruned to eliminate duplicates Z: 7 5.725 2.194 0.546 0.143 0.833 0.500 CB 1.286 7 residues pruned to eliminate duplicates Z: 10 26.816 2.090 0.973 0.853 1.000 0.778 CA 1.602 10 residues pruned to eliminate duplicates Z: 39 27.078 2.133 0.574 0.547 0.895 0.632 CB 1.396 39 residues pruned to eliminate duplicates Z: 48 45.200 2.254 0.500 0.614 0.979 0.660 CB 1.788 48 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 8.742 2.100 0.232 0.409 0.889 0.667 CB 1.394 10 residues pruned to eliminate duplicates Z: 18 9.452 1.832 0.434 0.312 0.824 0.353 CB 1.304 32 residues pruned to eliminate duplicates Z: 13 12.435 2.223 0.471 0.439 0.917 0.583 CB 1.276 Z: 15 44.547 2.330 0.868 0.922 1.000 1.000 CA 1.923 15 residues pruned to eliminate duplicates Z: 16 33.224 2.295 0.867 0.792 0.933 0.733 CB 1.660 16 residues pruned to eliminate duplicates Z: 27 45.019 2.314 0.940 0.732 0.923 0.538 CB 1.729 27 residues pruned to eliminate duplicates Z: 16 40.838 2.313 1.056 0.801 0.933 0.600 CB 1.826 16 residues pruned to eliminate duplicates Z: 99 65.246 2.270 0.657 0.652 0.918 0.612 CB 1.657 99 residues pruned to eliminate duplicates Z: 61 55.976 2.303 0.719 0.623 0.933 0.600 CB 1.742 61 residues pruned to eliminate duplicates Z: 76 60.610 2.278 0.693 0.660 0.933 0.680 CB 1.676 76 residues pruned to eliminate duplicates Z: 43 42.694 2.264 0.778 0.555 0.929 0.595 CB 1.670 43 residues pruned to eliminate duplicates Z: 98 70.489 2.259 0.726 0.668 0.938 0.670 CB 1.675 98 residues pruned to eliminate duplicates Z: 15 48.203 2.280 1.203 0.868 1.000 0.500 C 1.875 15 residues pruned to eliminate duplicates Z: 66 53.738 2.250 0.734 0.582 0.938 0.538 CB 1.682 66 residues pruned to eliminate duplicates Z: 18 37.166 2.227 1.223 0.717 0.824 0.706 CB 1.817 18 residues pruned to eliminate duplicates Z: 65 51.216 2.275 0.695 0.621 0.906 0.594 CB 1.634 65 residues pruned to eliminate duplicates Z: 88 58.430 2.257 0.620 0.632 0.920 0.678 CB 1.645 88 residues pruned to eliminate duplicates Z: 76 61.328 2.282 0.684 0.659 0.947 0.667 CB 1.679 76 residues pruned to eliminate duplicates Z: 98 68.545 2.279 0.734 0.661 0.928 0.711 CB 1.636 98 residues pruned to eliminate duplicates Z: 77 58.486 2.277 0.707 0.644 0.934 0.658 CB 1.615 77 residues pruned to eliminate duplicates Z: 32 37.951 2.267 0.885 0.601 0.839 0.645 CB 1.728 32 residues pruned to eliminate duplicates Z: 99 66.565 2.270 0.673 0.652 0.929 0.673 CB 1.656 99 residues pruned to eliminate duplicates Z: 11 15.959 2.073 0.410 0.784 1.000 0.600 CA 1.344 11 residues pruned to eliminate duplicates Z: 99 68.238 2.268 0.733 0.661 0.908 0.694 CB 1.664 99 residues pruned to eliminate duplicates Z: 98 66.204 2.271 0.656 0.661 0.928 0.701 CB 1.659 98 residues pruned to eliminate duplicates Z: 10 17.870 2.328 0.512 0.676 0.889 0.778 CB 1.620 10 residues pruned to eliminate duplicates Z: 76 51.995 2.227 0.674 0.603 0.893 0.600 CB 1.635 76 residues pruned to eliminate duplicates Z: 98 72.551 2.271 0.756 0.669 0.959 0.691 CB 1.648 98 residues pruned to eliminate duplicates Z: 7 6.887 1.874 0.075 0.490 1.000 0.500 CA 1.409 7 residues pruned to eliminate duplicates Z: 99 70.068 2.249 0.713 0.671 0.949 0.704 CB 1.654 99 residues pruned to eliminate duplicates Z: 40 46.893 2.314 0.810 0.621 0.897 0.692 CB 1.781 40 residues pruned to eliminate duplicates Z: 40 46.712 2.328 0.816 0.616 0.923 0.615 CB 1.718 40 residues pruned to eliminate duplicates Z: 80 57.289 2.210 0.734 0.626 0.937 0.658 CB 1.594 80 residues pruned to eliminate duplicates Z: 76 57.439 2.265 0.659 0.670 0.920 0.653 CB 1.639 76 residues pruned to eliminate duplicates Z: 60 51.838 2.235 0.717 0.615 0.966 0.576 CB 1.633 60 residues pruned to eliminate duplicates Z: 76 64.051 2.272 0.745 0.677 0.960 0.640 CB 1.651 76 residues pruned to eliminate duplicates Z: 35 32.841 2.135 0.586 0.644 0.941 0.529 CB 1.545 35 residues pruned to eliminate duplicates Z: 57 56.900 2.221 0.812 0.652 0.946 0.625 CB 1.733 57 residues pruned to eliminate duplicates Z: 69 54.195 2.259 0.614 0.670 0.941 0.706 CB 1.637 69 residues pruned to eliminate duplicates Z: 99 71.955 2.274 0.755 0.665 0.939 0.673 CB 1.665 99 residues pruned to eliminate duplicates Z: 78 63.607 2.250 0.791 0.652 0.948 0.649 CB 1.647 78 residues pruned to eliminate duplicates Z: 83 57.622 2.244 0.661 0.625 0.927 0.659 CB 1.637 83 residues pruned to eliminate duplicates Z: 23 40.438 2.174 0.698 0.849 1.000 0.682 CB 1.730 23 residues pruned to eliminate duplicates Z: 62 48.760 2.207 0.590 0.652 0.967 0.705 CB 1.597 62 residues pruned to eliminate duplicates Z: 65 52.148 2.247 0.662 0.628 0.922 0.656 CB 1.679 65 residues pruned to eliminate duplicates Z: 100 68.241 2.257 0.720 0.654 0.939 0.707 CB 1.630 100 residues pruned to eliminate duplicates Z: 98 65.370 2.231 0.825 0.603 0.907 0.577 CB 1.629 98 residues pruned to eliminate duplicates Z: 98 68.823 2.285 0.707 0.671 0.938 0.701 CB 1.630 98 residues pruned to eliminate duplicates Z: 19 40.783 2.292 0.824 0.871 0.944 0.722 CB 1.777 19 residues pruned to eliminate duplicates Z: 59 53.115 2.230 0.729 0.656 0.948 0.638 CB 1.650 59 residues pruned to eliminate duplicates Z: 54 44.014 2.167 0.726 0.670 0.906 0.642 CB 1.526 54 residues pruned to eliminate duplicates Z: 141 84.621 2.281 0.784 0.634 0.921 0.650 CB 1.682 141 residues pruned to eliminate duplicates Z: 101 65.827 2.230 0.698 0.656 0.930 0.660 CB 1.616 101 residues pruned to eliminate duplicates Z: 77 61.638 2.274 0.777 0.651 0.921 0.632 CB 1.651 77 residues pruned to eliminate duplicates Z: 73 51.003 2.221 0.575 0.666 0.917 0.694 CB 1.609 73 residues pruned to eliminate duplicates Z: 79 50.859 2.169 0.613 0.629 0.910 0.667 CB 1.602 79 residues pruned to eliminate duplicates Z: 84 56.842 2.237 0.678 0.641 0.916 0.687 CB 1.590 84 residues pruned to eliminate duplicates Z: 15 21.513 2.098 0.527 0.726 0.929 0.857 CB 1.576 15 residues pruned to eliminate duplicates Z: 39 38.451 2.147 0.711 0.731 0.921 0.816 CB 1.497 39 residues pruned to eliminate duplicates Z: 13 28.778 2.124 0.862 0.890 1.000 0.833 CB 1.512 13 residues pruned to eliminate duplicates Z: 77 61.724 2.265 0.778 0.671 0.921 0.658 CB 1.631 77 residues pruned to eliminate duplicates Z: 37 39.098 2.223 0.773 0.694 0.889 0.667 CB 1.557 37 residues pruned to eliminate duplicates Z: 74 59.049 2.234 0.793 0.665 0.890 0.726 CB 1.664 74 residues pruned to eliminate duplicates Z: 100 67.954 2.256 0.719 0.656 0.929 0.646 CB 1.640 100 residues pruned to eliminate duplicates Z: 99 67.034 2.230 0.762 0.653 0.918 0.694 CB 1.627 99 residues pruned to eliminate duplicates Z: 72 50.021 2.212 0.617 0.675 0.901 0.662 CB 1.567 72 residues pruned to eliminate duplicates Z: 40 39.980 2.144 0.784 0.674 0.897 0.615 CB 1.588 40 residues pruned to eliminate duplicates Z: 100 68.749 2.262 0.759 0.655 0.919 0.717 CB 1.636 100 residues pruned to eliminate duplicates Z: 99 68.519 2.263 0.782 0.669 0.918 0.612 CB 1.599 99 residues pruned to eliminate duplicates Z: 99 68.048 2.238 0.734 0.668 0.929 0.694 CB 1.634 99 residues pruned to eliminate duplicates Z: 85 59.149 2.251 0.676 0.647 0.929 0.714 CB 1.607 84 residues pruned to eliminate duplicates Z: 6 3.974 1.394 0.611 0.349 1.000 0.600 CA 0.933 6 residues pruned to eliminate duplicates Z: 147 88.590 2.269 0.828 0.627 0.925 0.678 CB 1.696 148 residues pruned to eliminate duplicates Z: 6 7.648 1.901 0.586 0.373 1.000 0.400 CA 1.299 6 residues pruned to eliminate duplicates Z: 98 70.334 2.262 0.786 0.667 0.928 0.660 CB 1.633 98 residues pruned to eliminate duplicates Z: 75 51.950 2.208 0.680 0.664 0.892 0.649 CB 1.568 75 residues pruned to eliminate duplicates Z: 36 42.118 2.243 0.715 0.730 0.943 0.800 CB 1.596 37 residues pruned to eliminate duplicates Z: 14 24.096 2.166 0.572 0.814 0.923 0.769 CB 1.618 14 residues pruned to eliminate duplicates Z: 99 69.760 2.237 0.779 0.672 0.918 0.694 CB 1.645 99 residues pruned to eliminate duplicates Z: 85 58.103 2.234 0.680 0.650 0.917 0.667 CB 1.603 85 residues pruned to eliminate duplicates Z: 24 30.381 2.154 0.753 0.678 0.913 0.739 CB 1.561 24 residues pruned to eliminate duplicates Z: 22 37.447 2.270 0.764 0.730 0.952 0.952 CB 1.742 22 residues pruned to eliminate duplicates Z: 13 24.217 2.093 0.419 0.882 1.000 0.750 C 1.703 13 residues pruned to eliminate duplicates Z: 22 33.479 2.251 0.602 0.745 1.000 0.905 CB 1.627 22 residues pruned to eliminate duplicates Z: 15 24.488 1.941 0.621 0.847 1.000 0.786 CB 1.544 15 residues pruned to eliminate duplicates Z: 17 26.376 2.223 0.691 0.687 0.875 0.750 CB 1.689 17 residues pruned to eliminate duplicates Z: 18 25.543 2.185 0.544 0.724 0.941 0.882 CB 1.594 18 residues pruned to eliminate duplicates Z: 99 67.715 2.269 0.717 0.672 0.929 0.673 CB 1.614 99 residues pruned to eliminate duplicates Z: 36 41.364 2.197 0.809 0.732 0.914 0.657 CB 1.562 36 residues pruned to eliminate duplicates Z: 49 45.223 2.258 0.649 0.622 0.958 0.708 CB 1.631 49 residues pruned to eliminate duplicates Z: 46 41.909 2.272 0.534 0.606 1.000 0.800 CB 1.620 46 residues pruned to eliminate duplicates Z: 46 41.973 2.288 0.457 0.615 1.000 0.733 CB 1.684 46 residues pruned to eliminate duplicates Z: 73 48.767 2.216 0.563 0.605 0.958 0.778 CB 1.567 73 residues pruned to eliminate duplicates Z: 30 34.092 2.294 0.631 0.594 0.966 0.724 CB 1.601 30 residues pruned to eliminate duplicates Z: 57 51.453 2.249 0.668 0.627 0.982 0.714 CB 1.656 57 residues pruned to eliminate duplicates Z: 29 37.442 2.264 0.785 0.589 1.000 0.714 CB 1.608 29 residues pruned to eliminate duplicates Z: 46 45.850 2.267 0.644 0.607 1.000 0.644 CB 1.657 46 residues pruned to eliminate duplicates Z: 57 48.542 2.207 0.691 0.601 0.964 0.696 CB 1.637 57 residues pruned to eliminate duplicates Z: 28 35.596 2.295 0.764 0.618 0.926 0.630 CB 1.634 28 residues pruned to eliminate duplicates Z: 46 49.806 2.287 0.704 0.619 0.978 0.689 CB 1.742 46 residues pruned to eliminate duplicates Z: 46 48.686 2.274 0.767 0.625 0.956 0.622 CB 1.680 46 residues pruned to eliminate duplicates Z: 58 41.058 2.200 0.578 0.571 0.930 0.649 CB 1.573 58 residues pruned to eliminate duplicates Z: 46 51.146 2.288 0.725 0.638 1.000 0.756 CB 1.698 46 residues pruned to eliminate duplicates Z: 45 45.548 2.284 0.609 0.638 0.977 0.750 CB 1.680 45 residues pruned to eliminate duplicates Z: 59 48.167 2.224 0.694 0.590 0.948 0.724 CB 1.624 59 residues pruned to eliminate duplicates Z: 28 35.029 2.291 0.801 0.613 0.926 0.704 CB 1.585 28 residues pruned to eliminate duplicates Z: 57 49.778 2.250 0.651 0.616 0.982 0.732 CB 1.633 57 residues pruned to eliminate duplicates Z: 46 49.693 2.273 0.732 0.627 1.000 0.756 CB 1.669 46 residues pruned to eliminate duplicates Z: 46 45.596 2.254 0.752 0.618 0.933 0.667 CB 1.650 46 residues pruned to eliminate duplicates Z: 44 46.042 2.287 0.636 0.657 0.977 0.791 CB 1.660 44 residues pruned to eliminate duplicates Z: 89 42.334 2.133 0.514 0.557 0.932 0.705 CB 1.420 89 residues pruned to eliminate duplicates Z: 29 30.674 2.254 0.579 0.583 0.964 0.607 CB 1.560 29 residues pruned to eliminate duplicates Z: 59 43.629 2.192 0.599 0.584 0.948 0.655 CB 1.590 59 residues pruned to eliminate duplicates Z: 46 46.909 2.278 0.649 0.621 1.000 0.689 CB 1.661 46 residues pruned to eliminate duplicates Z: 46 49.391 2.282 0.713 0.629 0.978 0.711 CB 1.707 46 residues pruned to eliminate duplicates Z: 22 30.217 2.198 0.528 0.600 1.000 0.667 CA 1.784 22 residues pruned to eliminate duplicates Z: 57 49.481 2.233 0.727 0.606 0.982 0.679 CB 1.578 57 residues pruned to eliminate duplicates Z: 46 50.215 2.293 0.734 0.629 0.978 0.689 CB 1.705 46 residues pruned to eliminate duplicates Z: 45 49.582 2.296 0.707 0.643 0.977 0.727 CB 1.708 45 residues pruned to eliminate duplicates Z: 46 51.027 2.295 0.744 0.630 1.000 0.778 CB 1.681 46 residues pruned to eliminate duplicates Z: 46 42.331 2.288 0.519 0.624 0.978 0.756 CB 1.651 46 residues pruned to eliminate duplicates Z: 57 53.305 2.262 0.747 0.608 0.982 0.679 CB 1.657 57 residues pruned to eliminate duplicates Z: 49 42.217 2.223 0.565 0.606 0.958 0.729 CB 1.653 49 residues pruned to eliminate duplicates Z: 45 50.295 2.296 0.753 0.631 0.977 0.659 CB 1.704 45 residues pruned to eliminate duplicates Z: 57 46.531 2.201 0.657 0.597 0.964 0.679 CB 1.613 57 residues pruned to eliminate duplicates Z: 48 44.593 2.261 0.743 0.611 0.957 0.745 CB 1.551 48 residues pruned to eliminate duplicates Z: 74 48.089 2.197 0.592 0.592 0.959 0.767 CB 1.537 74 residues pruned to eliminate duplicates Z: 48 47.111 2.223 0.835 0.588 0.957 0.660 CB 1.617 48 residues pruned to eliminate duplicates Z: 75 49.622 2.182 0.666 0.584 0.946 0.716 CB 1.547 75 residues pruned to eliminate duplicates Z: 45 48.660 2.295 0.658 0.640 1.000 0.727 CB 1.691 45 residues pruned to eliminate duplicates Z: 16 12.672 2.069 0.287 0.515 0.867 0.600 CB 1.396 16 residues pruned to eliminate duplicates Z: 55 49.901 2.255 0.691 0.623 0.963 0.741 CB 1.647 55 residues pruned to eliminate duplicates Z: 20 16.357 2.029 0.539 0.498 0.842 0.579 CB 1.430 20 residues pruned to eliminate duplicates Z: 56 47.880 2.261 0.703 0.599 0.927 0.673 CB 1.645 56 residues pruned to eliminate duplicates Z: 12 14.050 1.969 0.423 0.679 1.000 0.727 CB 1.282 12 residues pruned to eliminate duplicates Z: 57 47.894 2.244 0.711 0.593 0.946 0.643 CB 1.610 57 residues pruned to eliminate duplicates Z: 57 51.487 2.261 0.798 0.600 0.929 0.661 CB 1.658 57 residues pruned to eliminate duplicates Z: 74 46.389 2.185 0.591 0.594 0.959 0.753 CB 1.489 74 residues pruned to eliminate duplicates Z: 74 49.701 2.193 0.635 0.584 0.959 0.671 CB 1.562 74 residues pruned to eliminate duplicates Z: 58 46.557 2.240 0.668 0.585 0.965 0.684 CB 1.577 58 residues pruned to eliminate duplicates Z: 18 20.003 2.182 0.634 0.560 0.882 0.706 CB 1.455 18 residues pruned to eliminate duplicates Z: 36 26.712 2.100 0.528 0.564 0.943 0.771 CB 1.403 36 residues pruned to eliminate duplicates Z: 57 44.624 2.248 0.644 0.588 0.946 0.643 CB 1.566 57 residues pruned to eliminate duplicates Z: 74 48.273 2.215 0.581 0.591 0.959 0.630 CB 1.542 74 residues pruned to eliminate duplicates Z: 75 48.640 2.191 0.699 0.585 0.946 0.716 CB 1.479 75 residues pruned to eliminate duplicates Z: 35 22.355 2.099 0.355 0.589 0.941 0.765 CB 1.316 35 residues pruned to eliminate duplicates Z: 19 12.335 2.012 0.142 0.563 0.889 0.833 CB 1.339 19 residues pruned to eliminate duplicates Z: 74 48.589 2.213 0.638 0.597 0.932 0.753 CB 1.536 74 residues pruned to eliminate duplicates Z: 19 12.557 1.980 0.102 0.563 0.944 0.889 CB 1.351 19 residues pruned to eliminate duplicates Z: 35 23.219 2.072 0.461 0.568 0.882 0.706 CB 1.396 35 residues pruned to eliminate duplicates Z: 32 19.834 2.042 0.419 0.556 0.903 0.645 CB 1.288 32 residues pruned to eliminate duplicates Z: 19 14.209 1.996 0.277 0.559 0.944 0.778 CB 1.314 19 residues pruned to eliminate duplicates Z: 19 14.374 2.046 0.258 0.576 0.889 0.722 CB 1.377 19 residues pruned to eliminate duplicates Z: 75 47.808 2.189 0.622 0.580 0.946 0.703 CB 1.531 75 residues pruned to eliminate duplicates Z: 74 45.229 2.180 0.630 0.594 0.932 0.671 CB 1.462 74 residues pruned to eliminate duplicates Z: 29 21.707 2.053 0.468 0.576 0.929 0.607 CB 1.362 29 residues pruned to eliminate duplicates Z: 36 24.587 2.037 0.545 0.568 0.886 0.657 CB 1.396 36 residues pruned to eliminate duplicates Z: 19 15.914 1.957 0.599 0.550 0.889 0.556 CB 1.285 19 residues pruned to eliminate duplicates Z: 19 17.142 1.857 0.541 0.568 1.000 0.833 CB 1.323 19 residues pruned to eliminate duplicates Z: 28 33.616 2.181 0.500 0.723 0.926 0.667 CB 1.747 28 residues pruned to eliminate duplicates Z: 16 30.240 2.232 0.790 0.809 0.867 0.800 C 1.723 16 residues pruned to eliminate duplicates Z: 25 37.161 2.286 0.562 0.738 0.917 0.917 C 1.873 25 residues pruned to eliminate duplicates Z: 16 32.622 2.203 0.807 0.783 0.933 0.600 C 1.768 16 residues pruned to eliminate duplicates Z: 28 41.511 2.199 0.752 0.742 0.963 0.741 C 1.734 28 residues pruned to eliminate duplicates Z: 25 40.956 2.237 0.867 0.716 0.917 0.625 CB 1.796 25 residues pruned to eliminate duplicates Z: 14 44.219 2.383 1.114 0.864 1.000 0.769 C 1.785 14 residues pruned to eliminate duplicates Z: 64 55.282 2.356 0.608 0.608 0.905 0.667 CB 1.834 64 residues pruned to eliminate duplicates Z: 61 59.121 2.321 0.739 0.611 0.917 0.600 CB 1.857 61 residues pruned to eliminate duplicates Z: 147 92.490 2.355 0.756 0.615 0.932 0.644 CB 1.783 146 residues pruned to eliminate duplicates Z: 15 47.214 2.225 1.201 0.919 1.000 0.786 C 1.815 15 residues pruned to eliminate duplicates Z: 102 74.841 2.329 0.644 0.651 0.941 0.644 CB 1.797 102 residues pruned to eliminate duplicates Z: 66 57.277 2.303 0.728 0.591 0.923 0.554 CB 1.773 66 residues pruned to eliminate duplicates Z: 26 38.324 2.222 0.878 0.729 0.840 0.640 C 1.779 26 residues pruned to eliminate duplicates Z: 137 82.193 2.278 0.702 0.612 0.926 0.618 CB 1.765 137 residues pruned to eliminate duplicates Z: 98 74.511 2.344 0.687 0.661 0.918 0.629 CB 1.795 98 residues pruned to eliminate duplicates Z: 102 68.575 2.243 0.688 0.621 0.931 0.673 CB 1.727 102 residues pruned to eliminate duplicates Z: 50 41.796 2.301 0.555 0.562 0.878 0.551 CB 1.790 50 residues pruned to eliminate duplicates Z: 100 76.914 2.327 0.719 0.658 0.929 0.626 CB 1.796 100 residues pruned to eliminate duplicates Z: 85 61.350 2.308 0.592 0.624 0.929 0.595 CB 1.746 85 residues pruned to eliminate duplicates Z: 64 49.640 2.268 0.552 0.552 0.952 0.619 CB 1.773 64 residues pruned to eliminate duplicates Z: 102 63.351 2.283 0.655 0.579 0.921 0.564 CB 1.679 102 residues pruned to eliminate duplicates Z: 116 69.186 2.276 0.650 0.591 0.913 0.635 CB 1.724 116 residues pruned to eliminate duplicates Z: 65 60.201 2.314 0.730 0.605 0.938 0.531 CB 1.814 65 residues pruned to eliminate duplicates Z: 108 72.372 2.276 0.774 0.592 0.925 0.561 CB 1.716 108 residues pruned to eliminate duplicates Z: 60 52.027 2.263 0.702 0.611 0.881 0.610 CB 1.796 60 residues pruned to eliminate duplicates Z: 78 56.919 2.297 0.575 0.624 0.909 0.636 CB 1.754 78 residues pruned to eliminate duplicates Z: 50 45.381 2.337 0.563 0.563 0.918 0.510 CB 1.817 50 residues pruned to eliminate duplicates Z: 75 58.979 2.306 0.551 0.648 0.973 0.662 CB 1.716 75 residues pruned to eliminate duplicates Z: 57 61.729 2.301 0.778 0.663 0.929 0.518 CB 1.867 57 residues pruned to eliminate duplicates Z: 52 46.047 2.297 0.600 0.544 0.961 0.588 CB 1.748 52 residues pruned to eliminate duplicates Z: 97 70.999 2.302 0.696 0.643 0.917 0.635 CB 1.771 97 residues pruned to eliminate duplicates Z: 83 65.191 2.329 0.618 0.645 0.951 0.659 CB 1.754 83 residues pruned to eliminate duplicates Z: 86 64.163 2.314 0.597 0.648 0.941 0.694 CB 1.743 86 residues pruned to eliminate duplicates Z: 96 61.405 2.263 0.619 0.588 0.916 0.663 CB 1.727 96 residues pruned to eliminate duplicates Z: 92 62.856 2.267 0.678 0.560 0.945 0.604 CB 1.730 92 residues pruned to eliminate duplicates Z: 98 75.141 2.292 0.716 0.638 0.948 0.619 CB 1.798 98 residues pruned to eliminate duplicates Z: 101 71.293 2.301 0.656 0.634 0.920 0.650 CB 1.793 101 residues pruned to eliminate duplicates Z: 87 65.416 2.307 0.623 0.626 0.953 0.605 CB 1.754 87 residues pruned to eliminate duplicates Z: 102 60.632 2.268 0.627 0.575 0.921 0.604 CB 1.653 102 residues pruned to eliminate duplicates Z: 48 48.072 2.295 0.629 0.577 0.936 0.553 CB 1.861 48 residues pruned to eliminate duplicates Z: 74 63.115 2.320 0.698 0.615 0.945 0.644 CB 1.780 74 residues pruned to eliminate duplicates Z: 50 47.701 2.332 0.598 0.570 0.939 0.612 CB 1.820 50 residues pruned to eliminate duplicates Z: 65 57.262 2.302 0.676 0.607 0.922 0.484 CB 1.817 65 residues pruned to eliminate duplicates Z: 52 41.114 2.288 0.507 0.533 0.922 0.529 CB 1.754 52 residues pruned to eliminate duplicates Z: 62 56.496 2.359 0.655 0.626 0.902 0.607 CB 1.825 62 residues pruned to eliminate duplicates Z: 103 59.706 2.253 0.630 0.558 0.912 0.578 CB 1.669 103 residues pruned to eliminate duplicates Z: 85 62.591 2.297 0.645 0.628 0.917 0.583 CB 1.748 85 residues pruned to eliminate duplicates Z: 60 55.503 2.318 0.640 0.629 0.932 0.661 CB 1.806 60 residues pruned to eliminate duplicates Z: 87 61.188 2.288 0.578 0.624 0.919 0.616 CB 1.769 87 residues pruned to eliminate duplicates Z: 73 58.985 2.355 0.606 0.616 0.917 0.694 CB 1.797 73 residues pruned to eliminate duplicates Z: 101 62.118 2.303 0.583 0.588 0.920 0.660 CB 1.702 101 residues pruned to eliminate duplicates Z: 88 59.311 2.323 0.532 0.628 0.920 0.655 CB 1.722 88 residues pruned to eliminate duplicates Z: 51 42.698 2.301 0.487 0.584 0.920 0.620 CB 1.769 51 residues pruned to eliminate duplicates Z: 101 58.122 2.293 0.516 0.591 0.900 0.620 CB 1.703 101 residues pruned to eliminate duplicates Z: 99 65.905 2.302 0.635 0.593 0.949 0.622 CB 1.705 99 residues pruned to eliminate duplicates Z: 111 77.230 2.327 0.734 0.629 0.927 0.691 CB 1.743 111 residues pruned to eliminate duplicates Z: 64 57.471 2.311 0.668 0.614 0.921 0.603 CB 1.832 64 residues pruned to eliminate duplicates Z: 84 49.216 2.246 0.464 0.562 0.904 0.578 CB 1.713 84 residues pruned to eliminate duplicates Z: 115 73.395 2.286 0.746 0.608 0.921 0.570 CB 1.688 115 residues pruned to eliminate duplicates Z: 103 63.094 2.284 0.633 0.592 0.922 0.627 CB 1.664 103 residues pruned to eliminate duplicates Z: 111 75.611 2.282 0.720 0.623 0.945 0.645 CB 1.730 111 residues pruned to eliminate duplicates Z: 101 72.229 2.322 0.706 0.654 0.920 0.700 CB 1.718 101 residues pruned to eliminate duplicates Z: 78 68.288 2.306 0.737 0.660 0.948 0.584 CB 1.766 78 residues pruned to eliminate duplicates Z: 48 41.927 2.232 0.738 0.641 0.894 0.681 CB 1.546 48 residues pruned to eliminate duplicates Z: 81 67.747 2.300 0.736 0.637 0.938 0.637 CB 1.780 81 residues pruned to eliminate duplicates Z: 101 75.779 2.306 0.736 0.651 0.930 0.670 CB 1.769 101 residues pruned to eliminate duplicates Z: 107 79.542 2.329 0.760 0.628 0.934 0.660 CB 1.789 107 residues pruned to eliminate duplicates Z: 88 62.930 2.287 0.590 0.635 0.943 0.621 CB 1.735 88 residues pruned to eliminate duplicates Z: 48 46.794 2.208 0.800 0.615 0.936 0.638 CB 1.645 48 residues pruned to eliminate duplicates Z: 93 68.342 2.312 0.737 0.612 0.924 0.630 CB 1.727 93 residues pruned to eliminate duplicates Z: 52 43.583 2.246 0.751 0.581 0.922 0.686 CB 1.558 52 residues pruned to eliminate duplicates Z: 103 63.315 2.281 0.612 0.576 0.931 0.686 CB 1.702 103 residues pruned to eliminate duplicates Z: 100 70.844 2.270 0.667 0.645 0.929 0.677 CB 1.767 100 residues pruned to eliminate duplicates Z: 102 65.649 2.286 0.636 0.593 0.950 0.624 CB 1.681 102 residues pruned to eliminate duplicates Z: 97 78.860 2.328 0.738 0.674 0.948 0.698 CB 1.788 97 residues pruned to eliminate duplicates Z: 102 77.951 2.321 0.737 0.653 0.941 0.693 CB 1.774 102 residues pruned to eliminate duplicates Z: 50 38.964 2.183 0.659 0.588 0.898 0.571 CB 1.573 50 residues pruned to eliminate duplicates Z: 43 26.195 2.068 0.443 0.492 0.952 0.595 CB 1.434 43 residues pruned to eliminate duplicates Z: 36 48.835 2.271 0.842 0.765 0.914 0.800 CB 1.706 36 residues pruned to eliminate duplicates Z: 108 79.278 2.325 0.764 0.631 0.935 0.654 CB 1.768 108 residues pruned to eliminate duplicates Z: 116 77.985 2.305 0.758 0.615 0.930 0.626 CB 1.729 116 residues pruned to eliminate duplicates Z: 34 49.658 2.286 0.882 0.730 0.970 0.818 CB 1.686 34 residues pruned to eliminate duplicates Z: 52 36.960 2.153 0.741 0.577 0.843 0.647 CB 1.521 52 residues pruned to eliminate duplicates Z: 111 80.127 2.325 0.745 0.628 0.945 0.645 CB 1.765 111 residues pruned to eliminate duplicates Z: 105 68.692 2.295 0.675 0.623 0.894 0.683 CB 1.745 105 residues pruned to eliminate duplicates Z: 21 16.366 1.964 0.339 0.603 0.950 0.750 CB 1.329 21 residues pruned to eliminate duplicates Z: 103 65.846 2.282 0.626 0.597 0.941 0.647 CB 1.702 103 residues pruned to eliminate duplicates Z: 98 60.139 2.292 0.629 0.565 0.897 0.639 CB 1.712 98 residues pruned to eliminate duplicates Z: 115 72.059 2.303 0.689 0.615 0.921 0.640 CB 1.689 115 residues pruned to eliminate duplicates Z: 27 19.688 2.121 0.496 0.443 0.923 0.615 CB 1.398 27 residues pruned to eliminate duplicates Z: 32 24.007 2.129 0.465 0.491 0.871 0.548 CB 1.603 32 residues pruned to eliminate duplicates Z: 21 19.524 2.096 0.469 0.474 0.900 0.650 CB 1.618 21 residues pruned to eliminate duplicates Z: 16 14.750 2.127 0.031 0.723 0.933 0.600 CB 1.522 16 residues pruned to eliminate duplicates Z: 100 76.672 2.331 0.637 0.669 0.970 0.646 CB 1.782 100 residues pruned to eliminate duplicates Z: 88 56.705 2.286 0.571 0.632 0.885 0.655 CB 1.689 88 residues pruned to eliminate duplicates Z: 105 60.081 2.251 0.596 0.573 0.904 0.644 CB 1.690 105 residues pruned to eliminate duplicates Z: 44 28.626 2.136 0.495 0.495 0.953 0.605 CB 1.441 44 residues pruned to eliminate duplicates Z: 14 11.729 2.112 0.620 0.224 0.923 0.385 CB 1.424 14 residues pruned to eliminate duplicates Z: 27 18.860 2.145 0.358 0.481 0.923 0.538 CB 1.403 27 residues pruned to eliminate duplicates Z: 17 14.591 2.137 0.644 0.360 0.938 0.625 CB 1.287 17 residues pruned to eliminate duplicates Z: 49 45.521 2.231 0.741 0.604 0.938 0.667 CB 1.635 49 residues pruned to eliminate duplicates Z: 18 14.282 2.006 0.668 0.323 0.941 0.529 CB 1.336 18 residues pruned to eliminate duplicates Z: 89 60.292 2.258 0.687 0.599 0.909 0.693 CB 1.689 89 residues pruned to eliminate duplicates Z: 116 76.047 2.300 0.683 0.637 0.939 0.626 CB 1.714 116 residues pruned to eliminate duplicates Z: 13 6.253 1.949 0.454 0.322 0.667 0.417 CB 1.163 13 residues pruned to eliminate duplicates Z: 32 20.444 2.059 0.635 0.355 0.968 0.355 CB 1.318 32 residues pruned to eliminate duplicates Z: 9 5.017 1.925 0.627 0.298 0.875 0.375 CB 0.811 9 residues pruned to eliminate duplicates Z: 15 5.785 1.677 0.366 0.291 0.857 0.357 CB 0.995 15 residues pruned to eliminate duplicates Z: 58 39.968 2.181 0.556 0.585 0.947 0.614 CB 1.518 58 residues pruned to eliminate duplicates Z: 13 6.911 1.953 0.420 0.325 0.833 0.417 CB 1.046 13 residues pruned to eliminate duplicates Z: 118 69.273 2.275 0.633 0.604 0.923 0.598 CB 1.692 118 residues pruned to eliminate duplicates Z: 42 48.068 2.381 0.712 0.593 1.000 0.659 CB 1.686 42 residues pruned to eliminate duplicates Z: 60 41.512 2.236 0.757 0.496 0.898 0.593 CB 1.538 60 residues pruned to eliminate duplicates Z: 47 48.186 2.374 0.757 0.555 0.978 0.630 CB 1.651 47 residues pruned to eliminate duplicates Z: 83 67.148 2.334 0.805 0.581 0.939 0.659 CB 1.734 47 residues pruned to eliminate duplicates Z: 14 28.835 2.072 0.829 0.815 0.923 0.615 CB 1.739 15 residues pruned to eliminate duplicates Z: 13 28.889 2.215 0.886 0.803 0.917 0.583 CB 1.671 14 residues pruned to eliminate duplicates Z: 12 31.084 2.071 1.007 0.903 1.000 0.727 CB 1.607 12 residues pruned to eliminate duplicates Z: 62 47.820 2.257 0.767 0.515 0.934 0.557 CB 1.618 62 residues pruned to eliminate duplicates Z: 61 41.432 2.250 0.724 0.468 0.933 0.550 CB 1.527 61 residues pruned to eliminate duplicates Z: 48 47.642 2.353 0.653 0.598 0.979 0.681 CB 1.663 48 residues pruned to eliminate duplicates Z: 43 46.243 2.367 0.684 0.572 0.976 0.690 CB 1.711 43 residues pruned to eliminate duplicates Z: 44 40.275 2.323 0.622 0.579 0.953 0.698 CB 1.585 44 residues pruned to eliminate duplicates Z: 74 53.555 2.331 0.592 0.572 0.959 0.753 CB 1.644 74 residues pruned to eliminate duplicates Z: 27 26.961 2.180 0.659 0.594 0.885 0.692 CB 1.511 27 residues pruned to eliminate duplicates Z: 65 41.362 2.228 0.592 0.498 0.938 0.578 CB 1.558 65 residues pruned to eliminate duplicates Z: 48 43.524 2.310 0.641 0.558 0.957 0.617 CB 1.652 48 residues pruned to eliminate duplicates Z: 46 48.103 2.380 0.714 0.566 0.978 0.667 CB 1.686 46 residues pruned to eliminate duplicates Z: 148 67.727 2.280 0.576 0.549 0.925 0.605 CB 1.602 148 residues pruned to eliminate duplicates Z: 74 55.285 2.354 0.636 0.567 0.945 0.753 CB 1.667 74 residues pruned to eliminate duplicates Z: 46 44.937 2.378 0.700 0.557 0.933 0.644 CB 1.680 46 residues pruned to eliminate duplicates Z: 72 45.713 2.261 0.656 0.481 0.944 0.634 CB 1.564 72 residues pruned to eliminate duplicates Z: 75 56.452 2.350 0.621 0.575 0.959 0.716 CB 1.671 75 residues pruned to eliminate duplicates Z: 41 35.724 2.245 0.687 0.501 0.925 0.550 CB 1.610 41 residues pruned to eliminate duplicates Z: 47 42.624 2.261 0.702 0.540 0.935 0.630 CB 1.680 47 residues pruned to eliminate duplicates Z: 75 58.130 2.335 0.709 0.568 0.959 0.730 CB 1.653 75 residues pruned to eliminate duplicates Z: 46 45.395 2.356 0.602 0.581 0.978 0.644 CB 1.696 46 residues pruned to eliminate duplicates Z: 61 42.600 2.326 0.575 0.518 0.917 0.600 CB 1.609 61 residues pruned to eliminate duplicates Z: 46 48.881 2.384 0.721 0.574 0.978 0.578 CB 1.691 46 residues pruned to eliminate duplicates Z: 73 51.620 2.329 0.550 0.582 0.944 0.722 CB 1.649 73 residues pruned to eliminate duplicates Z: 47 49.576 2.295 0.793 0.545 1.000 0.696 CB 1.699 47 residues pruned to eliminate duplicates Z: 62 44.747 2.291 0.595 0.543 0.934 0.607 CB 1.609 62 residues pruned to eliminate duplicates Z: 70 46.512 2.269 0.611 0.517 0.899 0.652 CB 1.676 70 residues pruned to eliminate duplicates Z: 74 56.412 2.336 0.650 0.584 0.959 0.699 CB 1.649 74 residues pruned to eliminate duplicates Z: 45 45.470 2.331 0.783 0.531 0.955 0.568 CB 1.677 45 residues pruned to eliminate duplicates Z: 44 46.535 2.354 0.764 0.557 0.953 0.605 CB 1.697 44 residues pruned to eliminate duplicates Z: 47 47.098 2.369 0.696 0.586 0.957 0.674 CB 1.664 47 residues pruned to eliminate duplicates Z: 47 51.235 2.355 0.875 0.572 0.957 0.674 CB 1.668 47 residues pruned to eliminate duplicates Z: 74 64.683 2.353 0.820 0.583 0.973 0.671 CB 1.678 74 residues pruned to eliminate duplicates Z: 50 41.783 2.281 0.759 0.523 0.939 0.673 CB 1.548 50 residues pruned to eliminate duplicates Z: 46 53.236 2.371 0.799 0.601 1.000 0.733 CB 1.689 46 residues pruned to eliminate duplicates Z: 76 52.709 2.295 0.659 0.561 0.933 0.680 CB 1.614 76 residues pruned to eliminate duplicates Z: 35 31.134 2.252 0.458 0.569 0.941 0.765 CB 1.616 35 residues pruned to eliminate duplicates Z: 35 33.583 2.304 0.587 0.554 0.882 0.735 CB 1.695 35 residues pruned to eliminate duplicates Z: 64 56.311 2.270 0.864 0.577 0.968 0.619 CB 1.609 64 residues pruned to eliminate duplicates Z: 28 32.848 2.288 0.527 0.598 0.963 0.778 CB 1.712 28 residues pruned to eliminate duplicates Z: 28 30.725 2.277 0.523 0.543 0.963 0.741 CB 1.697 28 residues pruned to eliminate duplicates Z: 29 25.937 2.230 0.337 0.556 0.964 0.714 CB 1.614 29 residues pruned to eliminate duplicates Z: 76 50.906 2.280 0.738 0.551 0.907 0.640 CB 1.557 76 residues pruned to eliminate duplicates Z: 34 32.603 2.315 0.536 0.534 0.909 0.788 CB 1.698 34 residues pruned to eliminate duplicates Z: 21 29.202 2.214 0.811 0.522 0.950 0.700 CB 1.678 21 residues pruned to eliminate duplicates Z: 35 33.710 2.261 0.626 0.541 0.912 0.676 CB 1.657 35 residues pruned to eliminate duplicates Z: 29 28.798 2.262 0.470 0.578 0.929 0.821 CB 1.634 29 residues pruned to eliminate duplicates Z: 75 58.326 2.313 0.725 0.576 0.946 0.703 CB 1.670 75 residues pruned to eliminate duplicates Z: 29 30.152 2.244 0.511 0.579 0.929 0.786 CB 1.677 29 residues pruned to eliminate duplicates Z: 31 28.428 2.246 0.515 0.547 0.900 0.667 CB 1.619 31 residues pruned to eliminate duplicates Z: 18 17.410 2.159 0.211 0.528 0.941 0.706 CB 1.670 18 residues pruned to eliminate duplicates Z: 35 34.495 2.286 0.706 0.558 0.882 0.676 CB 1.625 35 residues pruned to eliminate duplicates Z: 37 28.921 2.205 0.465 0.563 0.889 0.694 CB 1.579 37 residues pruned to eliminate duplicates Z: 76 59.198 2.314 0.738 0.580 0.933 0.680 CB 1.687 76 residues pruned to eliminate duplicates Z: 40 33.264 2.288 0.607 0.510 0.923 0.718 CB 1.554 40 residues pruned to eliminate duplicates Z: 64 47.963 2.275 0.760 0.522 0.937 0.635 CB 1.576 64 residues pruned to eliminate duplicates Z: 35 30.461 2.275 0.559 0.526 0.882 0.647 CB 1.627 35 residues pruned to eliminate duplicates Z: 35 32.546 2.259 0.559 0.553 0.912 0.765 CB 1.651 35 residues pruned to eliminate duplicates Z: 35 36.250 2.293 0.654 0.556 0.912 0.706 CB 1.703 35 residues pruned to eliminate duplicates Z: 30 30.104 2.151 0.599 0.601 0.931 0.690 CB 1.586 30 residues pruned to eliminate duplicates Z: 73 58.581 2.307 0.799 0.566 0.931 0.667 CB 1.677 73 residues pruned to eliminate duplicates Z: 19 21.505 2.103 0.604 0.513 0.944 0.667 CB 1.570 19 residues pruned to eliminate duplicates Z: 84 48.770 2.245 0.770 0.502 0.892 0.590 CB 1.508 84 residues pruned to eliminate duplicates Z: 76 54.091 2.293 0.696 0.543 0.947 0.627 CB 1.627 76 residues pruned to eliminate duplicates Z: 26 23.335 2.223 0.506 0.438 0.880 0.640 CB 1.689 26 residues pruned to eliminate duplicates Z: 81 58.215 2.299 0.765 0.541 0.925 0.613 CB 1.666 51 residues pruned to eliminate duplicates Z: 7 6.830 1.771 0.353 0.499 1.000 0.833 CA 1.165 7 residues pruned to eliminate duplicates Z: 42 37.496 2.274 0.695 0.508 0.902 0.732 CB 1.670 42 residues pruned to eliminate duplicates Z: 65 53.928 2.279 0.802 0.528 0.922 0.609 CB 1.732 65 residues pruned to eliminate duplicates Z: 6 14.782 2.131 1.058 0.399 1.000 0.200 CA 1.676 6 residues pruned to eliminate duplicates Z: 124 77.825 2.337 0.841 0.531 0.927 0.618 CB 1.707 119 residues pruned to eliminate duplicates Z: 20 51.229 2.355 1.230 0.808 1.000 0.789 C 1.712 20 residues pruned to eliminate duplicates Z: 121 75.369 2.325 0.763 0.542 0.942 0.625 CB 1.711 121 residues pruned to eliminate duplicates Z: 69 56.085 2.363 0.726 0.556 0.926 0.588 CB 1.704 44 residues pruned to eliminate duplicates Z: 17 44.695 2.386 0.829 0.913 1.000 0.875 CB 1.813 17 residues pruned to eliminate duplicates Z: 97 60.608 2.293 0.679 0.560 0.917 0.646 CB 1.654 78 residues pruned to eliminate duplicates Z: 16 46.862 2.516 0.757 0.922 1.000 0.867 C 1.924 16 residues pruned to eliminate duplicates Z: 39 46.163 2.372 0.764 0.600 0.947 0.526 CB 1.719 39 residues pruned to eliminate duplicates Z: 40 42.007 2.331 0.721 0.584 0.897 0.641 CB 1.723 40 residues pruned to eliminate duplicates Z: 85 52.611 2.190 0.759 0.512 0.917 0.607 CB 1.606 85 residues pruned to eliminate duplicates Z: 28 40.113 2.319 0.983 0.597 0.926 0.667 CB 1.652 28 residues pruned to eliminate duplicates Z: 40 47.164 2.346 0.815 0.605 0.923 0.538 CB 1.739 40 residues pruned to eliminate duplicates Z: 40 52.866 2.349 0.927 0.617 0.974 0.641 CB 1.718 40 residues pruned to eliminate duplicates Z: 46 53.156 2.386 0.853 0.569 0.933 0.644 CB 1.797 46 residues pruned to eliminate duplicates Z: 64 51.941 2.292 0.752 0.553 0.921 0.603 CB 1.681 64 residues pruned to eliminate duplicates Z: 42 52.005 2.361 0.920 0.571 0.927 0.585 CB 1.806 42 residues pruned to eliminate duplicates Z: 39 53.910 2.383 0.989 0.607 0.921 0.553 CB 1.810 39 residues pruned to eliminate duplicates Z: 41 52.588 2.361 1.020 0.559 0.900 0.575 CB 1.829 41 residues pruned to eliminate duplicates Z: 120 77.470 2.341 0.837 0.550 0.924 0.639 CB 1.701 120 residues pruned to eliminate duplicates Z: 82 62.811 2.330 0.872 0.530 0.926 0.642 CB 1.677 82 residues pruned to eliminate duplicates Z: 39 54.017 2.389 1.010 0.621 0.921 0.579 CB 1.767 39 residues pruned to eliminate duplicates Z: 43 47.878 2.262 0.986 0.579 0.929 0.643 CB 1.642 43 residues pruned to eliminate duplicates Z: 39 55.787 2.366 0.961 0.625 0.974 0.684 CB 1.781 39 residues pruned to eliminate duplicates Z: 41 49.119 2.377 0.884 0.590 0.900 0.525 CB 1.767 41 residues pruned to eliminate duplicates Z: 43 50.285 2.362 0.986 0.551 0.881 0.524 CB 1.787 43 residues pruned to eliminate duplicates Z: 39 51.740 2.378 0.982 0.583 0.921 0.579 CB 1.786 39 residues pruned to eliminate duplicates Z: 41 49.032 2.352 0.953 0.579 0.900 0.525 CB 1.737 41 residues pruned to eliminate duplicates Z: 40 59.824 2.327 1.121 0.604 0.974 0.538 CB 1.805 40 residues pruned to eliminate duplicates Z: 47 55.202 2.360 0.923 0.549 0.935 0.500 CB 1.829 47 residues pruned to eliminate duplicates Z: 41 49.582 2.315 1.050 0.580 0.875 0.575 CB 1.748 41 residues pruned to eliminate duplicates Z: 74 55.198 2.268 0.733 0.546 0.945 0.658 CB 1.662 74 residues pruned to eliminate duplicates Z: 59 56.768 2.310 0.930 0.559 0.897 0.586 CB 1.760 59 residues pruned to eliminate duplicates Z: 18 20.657 2.087 0.704 0.494 0.882 0.235 CA 1.606 18 residues pruned to eliminate duplicates Z: 16 12.712 1.926 0.538 0.353 0.867 0.600 CB 1.498 16 residues pruned to eliminate duplicates Z: 13 15.665 2.109 0.633 0.322 0.917 0.583 CB 1.742 13 residues pruned to eliminate duplicates Z: 14 16.743 2.107 0.692 0.333 0.923 0.615 CB 1.694 14 residues pruned to eliminate duplicates Z: 15 13.388 1.981 0.687 0.291 0.857 0.357 CB 1.578 15 residues pruned to eliminate duplicates Z: 14 15.412 2.088 0.616 0.347 0.923 0.692 CB 1.621 14 residues pruned to eliminate duplicates Z: 14 14.056 2.046 0.400 0.317 0.923 0.308 CB 1.803 14 residues pruned to eliminate duplicates Z: 12 10.993 2.079 0.427 0.296 0.818 0.727 CB 1.716 12 residues pruned to eliminate duplicates Z: 125 74.839 2.279 0.668 0.603 0.944 0.718 CB 1.699 125 residues pruned to eliminate duplicates Z: 49 52.832 2.309 0.864 0.552 0.938 0.625 CB 1.797 49 residues pruned to eliminate duplicates Z: 6 6.645 1.779 0.493 0.432 1.000 0.600 CB 1.200 6 residues pruned to eliminate duplicates Z: 49 50.833 2.279 0.905 0.552 0.917 0.667 CB 1.752 49 residues pruned to eliminate duplicates Z: 39 47.064 2.350 0.900 0.615 0.921 0.579 CB 1.665 39 residues pruned to eliminate duplicates Z: 46 40.085 2.273 0.727 0.450 0.978 0.511 CB 1.639 46 residues pruned to eliminate duplicates Z: 39 50.195 2.340 0.835 0.624 0.947 0.605 CB 1.781 39 residues pruned to eliminate duplicates Z: 40 40.959 2.182 0.976 0.515 0.949 0.615 CB 1.579 40 residues pruned to eliminate duplicates Z: 32 47.654 2.302 0.905 0.716 0.935 0.645 CA 1.715 32 residues pruned to eliminate duplicates Z: 52 48.536 2.219 0.758 0.575 0.961 0.647 CB 1.687 52 residues pruned to eliminate duplicates Z: 49 49.049 2.295 0.862 0.541 0.938 0.646 CB 1.698 49 residues pruned to eliminate duplicates Z: 37 50.508 2.296 0.838 0.636 0.972 0.528 CB 1.807 37 residues pruned to eliminate duplicates Z: 46 36.240 2.112 0.839 0.521 0.844 0.444 CB 1.613 46 residues pruned to eliminate duplicates Z: 39 48.805 2.282 0.833 0.592 1.000 0.553 CB 1.733 39 residues pruned to eliminate duplicates Z: 43 49.612 2.276 0.932 0.566 0.929 0.571 CB 1.758 43 residues pruned to eliminate duplicates Z: 48 52.904 2.310 0.943 0.562 0.936 0.596 CB 1.730 48 residues pruned to eliminate duplicates Z: 38 51.876 2.326 0.905 0.639 0.946 0.568 CB 1.786 38 residues pruned to eliminate duplicates Z: 38 54.392 2.346 0.914 0.628 0.973 0.595 CB 1.815 38 residues pruned to eliminate duplicates Z: 39 49.319 2.303 0.906 0.610 0.947 0.579 CB 1.733 39 residues pruned to eliminate duplicates Z: 39 55.656 2.322 1.013 0.636 0.947 0.553 CB 1.794 39 residues pruned to eliminate duplicates Z: 42 48.368 2.263 0.918 0.574 0.951 0.585 CB 1.703 42 residues pruned to eliminate duplicates Z: 39 49.624 2.305 0.933 0.608 0.921 0.500 CB 1.770 39 residues pruned to eliminate duplicates Z: 38 53.156 2.280 0.855 0.678 0.973 0.595 CA 1.802 38 residues pruned to eliminate duplicates Z: 38 53.443 2.280 0.982 0.669 0.919 0.595 CB 1.809 38 residues pruned to eliminate duplicates Z: 38 50.478 2.324 0.922 0.635 0.919 0.595 CB 1.782 38 residues pruned to eliminate duplicates Z: 49 53.860 2.324 0.938 0.539 0.958 0.562 CB 1.734 49 residues pruned to eliminate duplicates Z: 49 50.142 2.291 0.974 0.553 0.875 0.542 CB 1.737 49 residues pruned to eliminate duplicates Z: 43 51.206 2.288 1.018 0.573 0.905 0.524 CB 1.763 43 residues pruned to eliminate duplicates Z: 46 43.427 2.178 0.877 0.530 0.911 0.444 CB 1.688 46 residues pruned to eliminate duplicates Z: 40 54.036 2.306 0.902 0.654 0.974 0.590 CB 1.755 40 residues pruned to eliminate duplicates Z: 19 21.716 2.113 0.447 0.566 1.000 0.444 CB 1.570 19 residues pruned to eliminate duplicates Z: 38 49.945 2.256 0.827 0.647 0.973 0.595 CA 1.785 38 residues pruned to eliminate duplicates Z: 42 49.559 2.291 0.883 0.598 0.927 0.561 CB 1.764 42 residues pruned to eliminate duplicates Z: 17 23.335 2.158 0.520 0.558 1.000 0.375 CA 1.680 17 residues pruned to eliminate duplicates Z: 40 47.754 2.340 0.992 0.596 0.872 0.615 CB 1.718 40 residues pruned to eliminate duplicates Z: 18 21.613 2.177 0.620 0.525 0.882 0.412 CB 1.644 18 residues pruned to eliminate duplicates Z: 37 55.479 2.301 0.975 0.650 0.944 0.556 CB 1.872 37 residues pruned to eliminate duplicates Z: 42 49.445 2.267 0.975 0.587 0.927 0.585 CB 1.712 42 residues pruned to eliminate duplicates Z: 42 54.307 2.298 0.910 0.607 0.951 0.634 CB 1.834 42 residues pruned to eliminate duplicates 462 residues left after pruning, divided into chains as follows: A: 73 B: 13 C: 230 D: 146 CC for partial structure against native data = 41.05 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.378, Connect. = 0.755 for dens.mod. cycle 1 = 0.300, Contrast = 0.424, Connect. = 0.774 for dens.mod. cycle 2 = 0.300, Contrast = 0.506, Connect. = 0.803 for dens.mod. cycle 3 = 0.300, Contrast = 0.510, Connect. = 0.804 for dens.mod. cycle 4 = 0.300, Contrast = 0.519, Connect. = 0.805 for dens.mod. cycle 5 = 0.300, Contrast = 0.524, Connect. = 0.807 for dens.mod. cycle 6 = 0.300, Contrast = 0.530, Connect. = 0.808 for dens.mod. cycle 7 = 0.300, Contrast = 0.535, Connect. = 0.809 for dens.mod. cycle 8 = 0.300, Contrast = 0.539, Connect. = 0.810 for dens.mod. cycle 9 = 0.300, Contrast = 0.542, Connect. = 0.810 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3441 peaks > 0.5 sigma used to seed fragment search Space for about 512 unique residues taking solvent into account 725 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 35 31.609 2.287 0.507 0.574 0.912 0.735 CB 1.607 B: 14 28.531 2.205 0.366 0.911 1.000 1.000 CB 1.862 C: 14 36.484 2.275 0.927 0.833 1.000 0.769 CB 1.731 D: 14 28.571 2.289 0.690 0.824 0.923 0.615 CB 1.676 14 residues pruned to eliminate duplicates E: 52 44.747 2.333 0.673 0.565 0.922 0.667 CB 1.636 22 residues pruned to eliminate duplicates F: 13 42.670 2.386 0.984 0.827 1.000 0.750 CB 1.961 13 residues pruned to eliminate duplicates G: 13 33.478 2.461 0.598 0.872 1.000 0.833 CB 1.791 13 residues pruned to eliminate duplicates H: 20 35.509 2.247 0.542 0.846 0.947 0.737 CA 1.844 I: 73 59.886 2.352 0.708 0.586 0.944 0.694 CB 1.713 79 residues pruned to eliminate duplicates J: 12 45.309 2.542 0.971 0.857 1.000 0.818 CB 2.009 12 residues pruned to eliminate duplicates K: 13 30.413 2.414 0.697 0.835 0.917 0.833 CB 1.751 13 residues pruned to eliminate duplicates L: 14 49.314 2.402 1.039 0.930 1.000 0.769 CA 1.953 M: 10 22.347 2.039 0.508 0.893 1.000 0.889 CA 1.738 10 residues pruned to eliminate duplicates N: 47 45.883 2.361 0.766 0.600 0.935 0.630 CB 1.578 47 residues pruned to eliminate duplicates O: 10 16.365 2.248 0.612 0.361 1.000 0.556 CB 1.749 P: 17 45.225 2.455 0.674 0.898 1.000 0.875 CA 1.968 Q: 14 30.730 2.315 0.650 0.835 1.000 0.846 CB 1.671 14 residues pruned to eliminate duplicates R: 14 25.247 2.249 0.376 0.900 1.000 1.000 CB 1.616 14 residues pruned to eliminate duplicates S: 13 27.550 2.176 0.491 0.867 1.000 0.917 CB 1.793 T: 13 39.658 2.456 0.933 0.878 1.000 0.750 CB 1.750 13 residues pruned to eliminate duplicates U: 16 41.501 2.189 0.920 0.889 1.000 0.933 CA 1.836 16 residues pruned to eliminate duplicates V: 10 16.896 2.049 0.387 0.873 0.889 0.778 CA 1.624 W: 13 25.691 2.134 0.539 0.902 1.000 0.833 CB 1.610 13 residues pruned to eliminate duplicates X: 16 41.319 2.162 0.995 0.882 1.000 0.667 CB 1.790 16 residues pruned to eliminate duplicates Y: 18 51.957 2.426 0.949 0.895 1.000 0.941 CB 1.911 Z: 17 43.776 2.313 0.805 0.921 1.000 1.000 CB 1.844 17 residues pruned to eliminate duplicates Z: 16 42.090 2.436 0.591 0.934 1.000 0.933 CB 1.956 16 residues pruned to eliminate duplicates Z: 16 43.035 2.207 0.948 0.910 1.000 0.800 CA 1.832 16 residues pruned to eliminate duplicates Z: 17 46.271 2.332 0.834 0.936 1.000 0.938 CA 1.883 16 residues pruned to eliminate duplicates Z: 15 31.567 2.173 0.516 0.907 1.000 0.929 CA 1.820 14 residues pruned to eliminate duplicates Z: 18 38.132 2.278 0.919 0.887 0.882 0.824 CB 1.729 18 residues pruned to eliminate duplicates Z: 99 76.646 2.291 0.708 0.659 0.959 0.633 CB 1.780 35 residues pruned to eliminate duplicates Z: 14 32.463 2.122 0.856 0.893 1.000 0.923 CA 1.642 14 residues pruned to eliminate duplicates Z: 16 41.205 2.202 0.858 0.932 1.000 0.867 CA 1.816 16 residues pruned to eliminate duplicates Z: 13 32.663 2.192 0.748 0.922 1.000 0.833 CA 1.731 Z: 18 41.749 2.427 0.678 0.872 1.000 0.882 CB 1.813 18 residues pruned to eliminate duplicates Z: 9 17.028 2.244 0.381 0.759 0.875 0.625 C 1.763 9 residues pruned to eliminate duplicates Z: 13 28.631 2.166 0.709 0.932 0.917 0.833 CA 1.702 13 residues pruned to eliminate duplicates Z: 9 19.298 2.286 0.676 0.804 0.875 0.625 CA 1.561 9 residues pruned to eliminate duplicates Z: 17 25.176 1.891 0.510 0.915 1.000 1.000 C 1.558 17 residues pruned to eliminate duplicates Z: 13 32.862 2.213 0.862 0.868 1.000 0.833 CB 1.682 Z: 13 36.558 2.294 0.844 0.888 1.000 0.833 C 1.797 13 residues pruned to eliminate duplicates Z: 11 20.554 2.128 0.322 0.923 1.000 0.800 CA 1.624 11 residues pruned to eliminate duplicates Z: 18 42.416 2.394 0.800 0.874 1.000 0.824 CB 1.737 18 residues pruned to eliminate duplicates Z: 25 39.407 2.290 0.562 0.798 1.000 0.708 CA 1.731 25 residues pruned to eliminate duplicates Z: 17 30.837 2.050 0.509 0.943 1.000 1.000 CA 1.726 17 residues pruned to eliminate duplicates Z: 11 25.652 2.275 0.454 0.927 1.000 0.900 CB 1.719 11 residues pruned to eliminate duplicates Z: 17 46.091 2.359 0.740 0.944 1.000 1.000 CA 1.944 17 residues pruned to eliminate duplicates Z: 18 43.792 2.444 0.786 0.879 1.000 0.882 CB 1.765 18 residues pruned to eliminate duplicates Z: 15 46.851 2.278 1.109 0.856 1.000 0.714 CA 1.922 15 residues pruned to eliminate duplicates Z: 10 12.440 2.177 0.631 0.335 0.889 0.556 CB 1.573 10 residues pruned to eliminate duplicates Z: 11 22.043 1.856 0.717 0.869 1.000 0.900 CA 1.598 11 residues pruned to eliminate duplicates Z: 13 30.830 2.256 0.686 0.912 0.917 0.917 C 1.808 13 residues pruned to eliminate duplicates Z: 14 27.563 2.077 0.634 0.909 1.000 1.000 CA 1.598 14 residues pruned to eliminate duplicates Z: 11 23.512 2.132 0.484 0.919 1.000 0.900 CB 1.655 11 residues pruned to eliminate duplicates Z: 13 30.655 2.320 0.663 0.875 0.917 0.833 C 1.820 13 residues pruned to eliminate duplicates Z: 14 34.623 2.225 0.652 0.904 1.000 1.000 CA 1.861 14 residues pruned to eliminate duplicates Z: 19 43.668 2.254 0.932 0.829 0.944 0.778 CA 1.882 18 residues pruned to eliminate duplicates Z: 12 31.123 2.207 0.816 0.913 1.000 0.909 CB 1.657 12 residues pruned to eliminate duplicates Z: 13 30.411 2.184 0.827 0.836 1.000 0.667 CA 1.648 13 residues pruned to eliminate duplicates Z: 10 15.877 2.046 0.499 0.832 0.889 0.778 CA 1.457 10 residues pruned to eliminate duplicates Z: 17 46.180 2.374 0.935 0.929 1.000 0.875 C 1.759 18 residues pruned to eliminate duplicates Z: 9 9.318 2.107 -0.038 0.851 0.875 0.750 CA 1.374 9 residues pruned to eliminate duplicates Z: 11 17.795 2.110 0.180 0.911 1.000 0.800 CB 1.602 11 residues pruned to eliminate duplicates Z: 13 23.393 2.065 0.589 0.898 1.000 0.833 C 1.472 13 residues pruned to eliminate duplicates Z: 19 47.358 2.253 1.020 0.857 1.000 0.778 CA 1.807 19 residues pruned to eliminate duplicates Z: 20 33.952 2.255 0.515 0.831 0.947 0.789 C 1.808 12 residues pruned to eliminate duplicates Z: 16 27.985 2.025 0.453 0.908 1.000 0.933 C 1.744 16 residues pruned to eliminate duplicates Z: 20 37.468 2.337 0.546 0.851 0.947 0.842 CA 1.859 20 residues pruned to eliminate duplicates Z: 17 40.475 2.406 0.646 0.907 1.000 0.938 CB 1.816 17 residues pruned to eliminate duplicates Z: 13 32.511 2.168 0.853 0.868 1.000 0.750 C 1.708 14 residues pruned to eliminate duplicates Z: 16 31.853 2.203 0.479 0.937 1.000 0.867 CB 1.756 16 residues pruned to eliminate duplicates Z: 17 49.219 2.427 0.933 0.888 1.000 0.812 CB 1.890 17 residues pruned to eliminate duplicates Z: 13 27.302 2.173 0.536 0.901 1.000 1.000 CB 1.685 13 residues pruned to eliminate duplicates Z: 43 40.248 2.247 0.594 0.616 0.952 0.714 CB 1.631 27 residues pruned to eliminate duplicates Z: 20 40.167 2.285 0.673 0.866 0.947 0.737 CA 1.863 20 residues pruned to eliminate duplicates Z: 9 32.642 2.295 0.839 0.860 1.000 0.625 C 2.011 9 residues pruned to eliminate duplicates Z: 10 20.630 2.262 0.178 0.931 1.000 1.000 CA 1.804 10 residues pruned to eliminate duplicates Z: 22 34.133 2.244 0.399 0.853 1.000 0.714 CA 1.754 22 residues pruned to eliminate duplicates Z: 46 44.409 2.264 0.603 0.609 1.000 0.778 CB 1.645 44 residues pruned to eliminate duplicates Z: 14 30.966 2.237 0.477 0.907 1.000 1.000 CA 1.847 14 residues pruned to eliminate duplicates Z: 33 27.665 2.143 0.599 0.555 0.906 0.719 CB 1.493 24 residues pruned to eliminate duplicates Z: 19 33.331 2.249 0.487 0.828 1.000 0.778 CA 1.769 18 residues pruned to eliminate duplicates Z: 12 30.839 2.230 0.609 0.868 1.000 0.727 CB 1.894 12 residues pruned to eliminate duplicates Z: 8 22.568 2.453 0.688 0.843 0.857 0.857 CA 1.790 10 residues pruned to eliminate duplicates Z: 19 44.647 2.395 0.806 0.897 0.944 0.889 CA 1.844 19 residues pruned to eliminate duplicates Z: 15 44.385 2.335 0.883 0.932 1.000 0.857 CB 1.884 15 residues pruned to eliminate duplicates Z: 19 42.441 2.237 1.014 0.849 0.944 0.833 CA 1.743 19 residues pruned to eliminate duplicates Z: 19 27.223 2.037 0.640 0.813 0.944 0.722 CB 1.549 19 residues pruned to eliminate duplicates Z: 41 42.274 2.240 0.680 0.682 0.900 0.825 CB 1.669 41 residues pruned to eliminate duplicates Z: 12 30.111 2.145 0.887 0.888 1.000 0.636 CB 1.616 13 residues pruned to eliminate duplicates Z: 18 39.749 2.402 0.717 0.890 1.000 0.941 CB 1.681 18 residues pruned to eliminate duplicates Z: 15 39.221 2.338 0.605 0.937 1.000 1.000 CA 1.943 15 residues pruned to eliminate duplicates Z: 9 15.697 2.176 0.222 0.867 0.875 0.750 CA 1.746 9 residues pruned to eliminate duplicates Z: 11 22.278 2.255 0.393 0.923 1.000 1.000 CB 1.577 11 residues pruned to eliminate duplicates Z: 9 12.496 2.027 -0.050 0.874 1.000 1.000 CB 1.670 Z: 18 46.980 2.316 0.916 0.862 1.000 0.765 CB 1.886 19 residues pruned to eliminate duplicates Z: 19 38.590 2.343 0.688 0.868 0.944 0.778 CA 1.779 19 residues pruned to eliminate duplicates Z: 12 43.100 2.475 0.904 0.924 1.000 0.636 CB 1.937 12 residues pruned to eliminate duplicates Z: 16 39.363 2.142 0.897 0.890 1.000 0.933 CA 1.799 15 residues pruned to eliminate duplicates Z: 13 24.406 2.175 0.439 0.843 1.000 0.750 CB 1.676 13 residues pruned to eliminate duplicates Z: 12 21.188 2.165 0.472 0.920 0.909 0.818 CA 1.553 12 residues pruned to eliminate duplicates Z: 15 36.900 2.317 0.601 0.863 1.000 0.929 CA 1.950 15 residues pruned to eliminate duplicates Z: 12 35.586 2.438 0.778 0.914 0.909 0.818 C 1.926 12 residues pruned to eliminate duplicates Z: 12 25.319 2.237 0.441 0.922 1.000 1.000 CA 1.666 12 residues pruned to eliminate duplicates Z: 18 44.312 2.301 1.122 0.910 0.941 0.941 CB 1.658 18 residues pruned to eliminate duplicates Z: 111 73.672 2.309 0.674 0.614 0.918 0.664 CB 1.777 109 residues pruned to eliminate duplicates Z: 15 45.722 2.273 1.069 0.885 1.000 0.786 CA 1.876 15 residues pruned to eliminate duplicates Z: 13 27.002 2.052 0.776 0.896 1.000 0.833 CA 1.532 12 residues pruned to eliminate duplicates Z: 6 20.638 2.532 0.308 0.889 1.000 1.000 C 2.007 6 residues pruned to eliminate duplicates Z: 9 14.042 2.008 0.280 0.822 0.875 0.625 CB 1.670 9 residues pruned to eliminate duplicates Z: 13 27.432 2.146 0.557 0.890 1.000 0.917 CB 1.706 13 residues pruned to eliminate duplicates Z: 8 22.312 2.457 0.488 0.857 0.857 0.857 CB 1.984 8 residues pruned to eliminate duplicates Z: 16 46.287 2.187 1.133 0.935 1.000 0.800 CB 1.785 16 residues pruned to eliminate duplicates Z: 15 22.845 1.951 0.514 0.864 1.000 0.857 CB 1.516 Z: 14 23.894 2.010 0.434 0.900 1.000 0.846 C 1.643 15 residues pruned to eliminate duplicates Z: 13 28.532 2.082 0.704 0.925 1.000 0.833 CB 1.628 Z: 13 31.458 2.218 0.688 0.887 1.000 0.750 C 1.749 13 residues pruned to eliminate duplicates Z: 20 33.091 2.206 0.640 0.839 0.895 0.579 CB 1.752 20 residues pruned to eliminate duplicates Z: 23 35.688 2.240 0.557 0.814 0.955 0.773 CA 1.740 23 residues pruned to eliminate duplicates Z: 10 21.146 2.008 0.582 0.880 1.000 0.667 CA 1.607 10 residues pruned to eliminate duplicates Z: 24 33.079 2.050 0.875 0.771 0.913 0.696 CB 1.546 24 residues pruned to eliminate duplicates Z: 47 49.823 2.321 0.955 0.555 0.891 0.630 CB 1.722 28 residues pruned to eliminate duplicates Z: 10 16.005 2.101 0.362 0.867 1.000 0.556 CB 1.363 10 residues pruned to eliminate duplicates Z: 18 30.996 2.399 0.432 0.874 0.941 0.882 CB 1.693 18 residues pruned to eliminate duplicates Z: 12 26.652 2.246 0.434 0.856 1.000 0.818 CB 1.841 12 residues pruned to eliminate duplicates Z: 8 12.592 2.226 -0.122 0.867 1.000 1.000 CB 1.782 8 residues pruned to eliminate duplicates Z: 15 27.899 1.970 0.832 0.844 1.000 0.786 CB 1.538 13 residues pruned to eliminate duplicates Z: 17 39.131 2.322 0.550 0.940 1.000 0.938 C 1.889 17 residues pruned to eliminate duplicates Z: 13 23.956 2.175 0.601 0.807 0.917 0.750 CB 1.657 13 residues pruned to eliminate duplicates Z: 18 38.772 2.423 0.610 0.881 1.000 0.941 CB 1.746 18 residues pruned to eliminate duplicates Z: 14 41.108 2.448 0.617 0.919 1.000 0.923 CB 2.031 14 residues pruned to eliminate duplicates Z: 13 28.776 2.204 0.611 0.860 1.000 0.833 CB 1.720 13 residues pruned to eliminate duplicates Z: 11 22.665 2.153 0.477 0.925 1.000 0.900 CA 1.583 11 residues pruned to eliminate duplicates Z: 12 29.562 2.283 0.682 0.850 0.909 0.727 CB 1.890 12 residues pruned to eliminate duplicates Z: 46 49.508 2.294 0.746 0.623 0.978 0.689 CB 1.678 46 residues pruned to eliminate duplicates Z: 17 54.011 2.365 1.059 0.940 1.000 0.938 CA 1.925 17 residues pruned to eliminate duplicates Z: 8 17.592 2.265 0.330 0.832 1.000 0.857 CB 1.657 Z: 25 39.052 2.309 0.641 0.754 0.958 0.625 CA 1.750 25 residues pruned to eliminate duplicates Z: 14 25.433 2.081 0.648 0.835 0.923 0.692 CB 1.668 13 residues pruned to eliminate duplicates Z: 12 31.857 2.286 0.638 0.894 1.000 0.818 CB 1.841 12 residues pruned to eliminate duplicates Z: 18 53.674 2.344 1.149 0.891 1.000 0.941 CB 1.858 18 residues pruned to eliminate duplicates Z: 13 33.706 2.320 0.636 0.884 1.000 0.833 C 1.852 13 residues pruned to eliminate duplicates Z: 11 19.197 2.036 0.442 0.912 1.000 0.800 CB 1.464 Z: 13 26.249 2.117 0.571 0.860 0.917 0.750 CB 1.828 13 residues pruned to eliminate duplicates Z: 10 9.629 1.970 0.045 0.812 0.778 0.667 CA 1.529 10 residues pruned to eliminate duplicates Z: 46 44.876 2.256 0.642 0.608 0.978 0.689 CB 1.667 46 residues pruned to eliminate duplicates Z: 15 22.842 1.881 0.500 0.900 1.000 0.857 C 1.546 15 residues pruned to eliminate duplicates Z: 40 44.629 2.355 0.732 0.583 0.923 0.564 CB 1.753 28 residues pruned to eliminate duplicates Z: 13 29.287 2.258 0.794 0.878 0.833 0.750 CA 1.817 13 residues pruned to eliminate duplicates Z: 13 21.992 2.103 0.358 0.905 1.000 1.000 CB 1.583 13 residues pruned to eliminate duplicates Z: 9 12.985 2.030 0.105 0.887 1.000 0.875 CB 1.475 9 residues pruned to eliminate duplicates Z: 12 38.782 2.400 1.095 0.840 0.909 0.636 CB 1.909 12 residues pruned to eliminate duplicates Z: 111 69.883 2.302 0.654 0.610 0.891 0.627 CB 1.770 111 residues pruned to eliminate duplicates Z: 14 26.683 2.086 0.481 0.892 1.000 0.846 CB 1.721 14 residues pruned to eliminate duplicates Z: 21 38.846 2.337 0.610 0.852 0.950 0.700 CA 1.797 21 residues pruned to eliminate duplicates Z: 81 51.549 2.275 0.596 0.542 0.925 0.650 CB 1.647 81 residues pruned to eliminate duplicates Z: 14 24.129 2.106 0.546 0.869 1.000 0.923 CB 1.502 15 residues pruned to eliminate duplicates Z: 9 11.754 2.135 -0.145 0.920 1.000 1.000 CB 1.603 9 residues pruned to eliminate duplicates Z: 12 39.551 2.441 0.735 0.936 1.000 1.000 CA 1.961 12 residues pruned to eliminate duplicates Z: 14 25.421 2.065 0.574 0.862 0.923 0.692 CB 1.725 14 residues pruned to eliminate duplicates Z: 21 33.670 2.304 0.466 0.836 0.950 0.750 CA 1.756 21 residues pruned to eliminate duplicates Z: 8 9.119 2.007 0.086 0.891 0.857 0.857 CB 1.326 Z: 14 25.598 2.088 0.427 0.910 1.000 0.846 C 1.690 14 residues pruned to eliminate duplicates Z: 13 38.403 2.396 1.059 0.865 0.917 0.750 CB 1.797 13 residues pruned to eliminate duplicates Z: 20 39.585 2.260 0.679 0.865 0.947 0.737 CB 1.851 20 residues pruned to eliminate duplicates Z: 8 19.142 2.428 0.236 0.866 1.000 0.857 CA 1.766 8 residues pruned to eliminate duplicates Z: 16 44.282 2.426 0.734 0.901 1.000 0.800 CB 1.939 16 residues pruned to eliminate duplicates Z: 48 40.128 2.255 0.541 0.598 0.957 0.681 CB 1.603 48 residues pruned to eliminate duplicates Z: 18 45.641 2.347 0.757 0.910 1.000 0.882 CA 1.904 18 residues pruned to eliminate duplicates Z: 17 56.406 2.455 1.036 0.920 1.000 1.000 CA 1.986 18 residues pruned to eliminate duplicates Z: 10 20.679 2.267 0.203 0.930 1.000 1.000 CA 1.768 10 residues pruned to eliminate duplicates Z: 17 32.301 2.302 0.318 0.925 1.000 1.000 CB 1.867 17 residues pruned to eliminate duplicates Z: 98 69.213 2.304 0.713 0.655 0.928 0.649 CB 1.662 84 residues pruned to eliminate duplicates Z: 11 17.364 2.109 0.235 0.924 1.000 0.900 CB 1.481 11 residues pruned to eliminate duplicates Z: 13 20.863 2.185 0.421 0.781 0.917 0.667 CA 1.652 13 residues pruned to eliminate duplicates Z: 15 33.801 2.178 0.645 0.902 1.000 0.929 C 1.798 15 residues pruned to eliminate duplicates Z: 46 43.074 2.265 0.605 0.600 0.978 0.711 CB 1.643 46 residues pruned to eliminate duplicates Z: 18 46.942 2.425 0.922 0.888 1.000 0.882 CB 1.761 18 residues pruned to eliminate duplicates Z: 87 65.650 2.325 0.625 0.643 0.930 0.663 CB 1.762 87 residues pruned to eliminate duplicates Z: 64 53.317 2.317 0.730 0.531 0.937 0.603 CB 1.736 63 residues pruned to eliminate duplicates Z: 8 15.653 1.829 0.763 0.812 1.000 0.571 CA 1.399 8 residues pruned to eliminate duplicates Z: 18 46.981 2.308 1.077 0.854 0.941 0.412 CA 1.865 18 residues pruned to eliminate duplicates Z: 6 14.973 2.310 0.403 0.872 1.000 1.000 CA 1.505 6 residues pruned to eliminate duplicates Z: 23 11.631 1.999 0.732 0.199 0.818 0.591 CB 1.252 10 residues pruned to eliminate duplicates Z: 15 23.231 1.945 0.648 0.834 1.000 0.786 CB 1.452 15 residues pruned to eliminate duplicates Z: 13 28.738 2.214 0.735 0.849 1.000 0.750 CB 1.601 13 residues pruned to eliminate duplicates Z: 40 50.669 2.342 0.896 0.601 0.923 0.615 CB 1.797 40 residues pruned to eliminate duplicates Z: 9 14.216 2.055 0.271 0.850 0.875 0.625 CB 1.628 10 residues pruned to eliminate duplicates Z: 14 26.832 2.104 0.555 0.893 1.000 0.846 CB 1.633 14 residues pruned to eliminate duplicates Z: 13 21.339 2.192 0.460 0.802 0.917 0.667 CB 1.613 13 residues pruned to eliminate duplicates Z: 21 42.882 2.219 0.785 0.841 1.000 0.700 CB 1.806 21 residues pruned to eliminate duplicates Z: 12 22.618 1.906 0.777 0.842 1.000 0.545 C 1.500 11 residues pruned to eliminate duplicates Z: 14 29.535 2.081 0.701 0.894 1.000 0.923 CB 1.659 14 residues pruned to eliminate duplicates Z: 9 18.648 2.112 0.440 0.858 1.000 0.625 CA 1.596 9 residues pruned to eliminate duplicates Z: 11 30.355 2.261 0.629 0.920 1.000 0.800 CB 1.835 11 residues pruned to eliminate duplicates Z: 14 34.250 2.229 0.711 0.915 1.000 0.923 C 1.761 14 residues pruned to eliminate duplicates Z: 11 19.277 2.162 0.247 0.900 1.000 0.900 CB 1.615 11 residues pruned to eliminate duplicates Z: 13 32.500 2.214 0.795 0.888 1.000 0.833 CB 1.700 13 residues pruned to eliminate duplicates Z: 13 22.270 2.086 0.298 0.891 1.000 0.917 CB 1.706 13 residues pruned to eliminate duplicates Z: 11 19.103 2.138 0.299 0.904 1.000 0.900 CB 1.549 11 residues pruned to eliminate duplicates Z: 16 30.331 2.313 0.580 0.833 0.933 0.800 CB 1.722 16 residues pruned to eliminate duplicates Z: 14 29.214 2.035 0.763 0.886 1.000 0.846 C 1.630 14 residues pruned to eliminate duplicates Z: 22 31.037 2.228 0.367 0.841 0.952 0.810 CA 1.741 22 residues pruned to eliminate duplicates Z: 13 32.741 2.320 0.735 0.873 1.000 0.833 C 1.711 13 residues pruned to eliminate duplicates Z: 21 40.889 2.311 0.638 0.815 1.000 0.550 CA 1.837 21 residues pruned to eliminate duplicates Z: 9 19.414 2.105 0.526 0.836 1.000 0.750 CB 1.600 9 residues pruned to eliminate duplicates Z: 76 70.664 2.360 0.697 0.668 0.947 0.573 CB 1.843 75 residues pruned to eliminate duplicates Z: 9 25.083 2.250 0.497 0.896 1.000 1.000 CB 1.885 9 residues pruned to eliminate duplicates Z: 13 22.432 2.111 0.402 0.860 1.000 0.917 CB 1.609 13 residues pruned to eliminate duplicates Z: 13 24.199 2.138 0.530 0.881 1.000 1.000 CB 1.546 13 residues pruned to eliminate duplicates Z: 52 48.719 2.315 0.543 0.650 0.941 0.667 CB 1.764 52 residues pruned to eliminate duplicates Z: 13 32.733 2.319 0.701 0.864 0.917 0.667 CB 1.916 13 residues pruned to eliminate duplicates Z: 12 39.109 2.373 0.857 0.893 1.000 0.909 CB 1.920 12 residues pruned to eliminate duplicates Z: 13 28.445 2.129 0.772 0.876 1.000 0.917 CB 1.582 13 residues pruned to eliminate duplicates Z: 18 38.132 2.377 0.525 0.865 1.000 0.882 CB 1.869 18 residues pruned to eliminate duplicates Z: 99 59.785 2.299 0.748 0.484 0.918 0.663 CB 1.662 93 residues pruned to eliminate duplicates Z: 15 22.951 1.932 0.467 0.871 1.000 0.714 C 1.578 15 residues pruned to eliminate duplicates Z: 20 38.396 2.270 0.532 0.903 1.000 0.895 CA 1.805 20 residues pruned to eliminate duplicates Z: 17 57.474 2.505 1.087 0.897 1.000 0.938 CB 1.968 17 residues pruned to eliminate duplicates Z: 18 45.338 2.394 0.873 0.892 1.000 0.941 CB 1.761 18 residues pruned to eliminate duplicates Z: 10 15.506 2.057 1.122 0.333 0.889 0.444 CB 1.600 10 residues pruned to eliminate duplicates Z: 14 27.133 2.011 0.602 0.892 1.000 0.923 CB 1.678 14 residues pruned to eliminate duplicates Z: 9 19.833 2.151 0.532 0.907 1.000 0.625 CA 1.512 9 residues pruned to eliminate duplicates Z: 75 48.304 2.201 0.614 0.576 0.946 0.757 CB 1.553 66 residues pruned to eliminate duplicates Z: 97 66.677 2.276 0.671 0.642 0.896 0.708 CB 1.749 97 residues pruned to eliminate duplicates Z: 15 23.450 1.861 0.561 0.911 1.000 1.000 C 1.529 14 residues pruned to eliminate duplicates Z: 10 15.115 2.123 0.263 0.801 1.000 0.667 CA 1.444 10 residues pruned to eliminate duplicates Z: 18 51.333 2.322 1.048 0.871 1.000 0.765 CA 1.908 18 residues pruned to eliminate duplicates Z: 19 35.359 2.208 0.745 0.795 0.944 0.722 CA 1.769 19 residues pruned to eliminate duplicates Z: 15 21.318 1.871 0.399 0.904 1.000 0.786 CB 1.551 15 residues pruned to eliminate duplicates Z: 11 17.107 2.011 0.432 0.870 0.900 0.600 CB 1.524 11 residues pruned to eliminate duplicates Z: 9 16.471 2.270 0.182 0.857 1.000 0.750 CA 1.599 9 residues pruned to eliminate duplicates Z: 12 28.295 2.243 0.503 0.927 1.000 1.000 CB 1.774 12 residues pruned to eliminate duplicates Z: 25 30.002 2.100 0.470 0.772 0.917 0.667 CA 1.701 25 residues pruned to eliminate duplicates Z: 15 21.694 1.905 0.393 0.906 1.000 0.857 CB 1.554 15 residues pruned to eliminate duplicates Z: 11 23.687 1.975 0.822 0.932 1.000 0.700 CB 1.453 11 residues pruned to eliminate duplicates Z: 15 42.876 2.251 0.906 0.927 1.000 0.714 CA 1.871 16 residues pruned to eliminate duplicates Z: 12 34.128 2.342 0.797 0.892 1.000 0.818 C 1.756 12 residues pruned to eliminate duplicates Z: 10 22.728 2.201 0.552 0.893 1.000 0.556 CB 1.592 10 residues pruned to eliminate duplicates Z: 11 22.222 2.010 0.689 0.922 1.000 0.700 CB 1.455 11 residues pruned to eliminate duplicates Z: 6 5.591 1.863 0.131 0.457 1.000 0.600 CB 1.240 6 residues pruned to eliminate duplicates Z: 9 19.915 2.275 0.335 0.883 1.000 0.625 CA 1.676 9 residues pruned to eliminate duplicates Z: 13 34.878 2.228 0.877 0.904 1.000 0.833 CB 1.715 13 residues pruned to eliminate duplicates Z: 13 10.806 1.845 0.465 0.443 0.917 0.667 C 1.335 13 residues pruned to eliminate duplicates Z: 9 14.904 1.989 0.544 0.886 1.000 0.500 CB 1.238 9 residues pruned to eliminate duplicates Z: 11 26.685 2.156 0.662 0.920 1.000 0.800 CB 1.659 11 residues pruned to eliminate duplicates Z: 17 33.261 2.282 0.613 0.869 0.938 0.875 CB 1.761 17 residues pruned to eliminate duplicates Z: 16 54.581 2.483 1.017 0.935 1.000 0.867 CB 1.961 16 residues pruned to eliminate duplicates Z: 10 15.874 2.041 0.370 0.899 1.000 0.667 CB 1.352 10 residues pruned to eliminate duplicates Z: 11 20.683 2.046 0.512 0.927 1.000 0.900 CB 1.482 11 residues pruned to eliminate duplicates Z: 17 45.920 2.377 1.053 0.941 0.938 0.875 C 1.742 17 residues pruned to eliminate duplicates Z: 13 17.010 2.044 0.298 0.925 1.000 0.917 CB 1.299 13 residues pruned to eliminate duplicates Z: 43 41.549 2.253 0.643 0.604 0.976 0.690 CB 1.607 43 residues pruned to eliminate duplicates Z: 25 38.739 2.218 0.753 0.779 0.917 0.750 CB 1.736 25 residues pruned to eliminate duplicates Z: 18 38.850 2.404 0.537 0.906 1.000 0.941 CB 1.814 18 residues pruned to eliminate duplicates Z: 13 27.927 2.206 0.498 0.924 1.000 0.833 CA 1.713 13 residues pruned to eliminate duplicates Z: 47 45.835 2.280 0.757 0.592 0.957 0.717 CB 1.615 47 residues pruned to eliminate duplicates Z: 15 48.707 2.270 1.153 0.896 1.000 0.714 C 1.908 15 residues pruned to eliminate duplicates Z: 13 17.677 2.041 0.366 0.877 1.000 0.917 CB 1.329 13 residues pruned to eliminate duplicates Z: 13 24.008 2.169 0.360 0.825 1.000 0.750 CB 1.773 13 residues pruned to eliminate duplicates Z: 18 43.636 2.422 0.901 0.854 0.941 0.882 CB 1.804 18 residues pruned to eliminate duplicates Z: 23 34.849 2.115 0.614 0.811 1.000 0.682 CB 1.660 23 residues pruned to eliminate duplicates Z: 46 53.884 2.399 0.799 0.612 0.956 0.756 CB 1.751 46 residues pruned to eliminate duplicates Z: 113 71.959 2.298 0.628 0.607 0.938 0.634 CB 1.750 113 residues pruned to eliminate duplicates Z: 14 51.253 2.463 1.011 0.925 1.000 0.923 CB 2.014 14 residues pruned to eliminate duplicates Z: 14 38.136 2.239 0.849 0.914 1.000 1.000 C 1.807 14 residues pruned to eliminate duplicates Z: 9 12.410 2.146 0.423 0.814 0.750 0.500 CA 1.457 9 residues pruned to eliminate duplicates Z: 9 26.402 2.178 0.595 0.881 1.000 0.875 C 1.945 9 residues pruned to eliminate duplicates Z: 10 18.635 1.985 0.624 0.740 1.000 0.556 CB 1.554 10 residues pruned to eliminate duplicates Z: 18 50.672 2.317 1.054 0.874 1.000 0.882 CA 1.879 18 residues pruned to eliminate duplicates Z: 18 37.419 2.255 0.665 0.901 1.000 0.824 CB 1.726 18 residues pruned to eliminate duplicates Z: 10 15.166 2.186 0.220 0.862 0.889 0.667 CA 1.565 10 residues pruned to eliminate duplicates Z: 13 25.225 2.124 0.503 0.849 1.000 0.833 CA 1.690 13 residues pruned to eliminate duplicates Z: 28 23.309 2.083 0.456 0.613 0.889 0.667 CB 1.495 28 residues pruned to eliminate duplicates Z: 6 4.957 1.856 0.546 0.292 0.800 0.600 CB 1.220 6 residues pruned to eliminate duplicates Z: 16 44.992 2.179 1.120 0.879 1.000 0.667 C 1.823 16 residues pruned to eliminate duplicates Z: 17 35.215 2.181 0.635 0.917 1.000 0.812 CB 1.743 17 residues pruned to eliminate duplicates Z: 94 60.158 2.219 0.690 0.629 0.892 0.624 CB 1.651 94 residues pruned to eliminate duplicates Z: 11 25.534 2.148 0.581 0.924 1.000 0.900 CB 1.670 11 residues pruned to eliminate duplicates Z: 16 36.162 2.437 0.318 0.945 1.000 1.000 C 2.012 16 residues pruned to eliminate duplicates Z: 44 37.971 2.292 0.600 0.508 0.953 0.628 CB 1.643 44 residues pruned to eliminate duplicates Z: 23 29.840 2.089 0.630 0.769 0.909 0.818 CB 1.619 23 residues pruned to eliminate duplicates Z: 9 9.845 2.158 0.047 0.761 0.875 0.625 CB 1.396 9 residues pruned to eliminate duplicates Z: 61 45.123 2.267 0.699 0.490 0.933 0.583 CB 1.637 61 residues pruned to eliminate duplicates Z: 18 51.836 2.387 1.063 0.876 1.000 0.824 C 1.855 18 residues pruned to eliminate duplicates Z: 11 13.798 1.906 0.141 0.913 1.000 1.000 CB 1.420 11 residues pruned to eliminate duplicates Z: 12 18.760 2.075 0.353 0.890 1.000 0.909 CB 1.449 12 residues pruned to eliminate duplicates Z: 18 45.721 2.376 0.929 0.884 1.000 0.882 CB 1.747 18 residues pruned to eliminate duplicates Z: 22 34.361 2.124 0.635 0.796 1.000 0.524 CB 1.666 22 residues pruned to eliminate duplicates Z: 14 33.740 2.248 0.623 0.909 1.000 0.923 C 1.820 14 residues pruned to eliminate duplicates Z: 12 30.314 2.114 0.860 0.920 1.000 0.727 CA 1.636 12 residues pruned to eliminate duplicates Z: 14 24.415 1.985 0.544 0.877 1.000 0.846 C 1.604 14 residues pruned to eliminate duplicates Z: 11 17.437 2.274 0.844 0.383 0.900 0.800 CB 1.655 23 residues pruned to eliminate duplicates Z: 23 39.636 2.121 0.747 0.847 1.000 0.818 CB 1.693 23 residues pruned to eliminate duplicates Z: 12 27.450 2.229 0.453 0.872 1.000 0.909 CB 1.862 12 residues pruned to eliminate duplicates Z: 18 39.528 2.396 0.695 0.863 1.000 0.765 CB 1.731 18 residues pruned to eliminate duplicates Z: 8 13.924 2.072 0.289 0.901 1.000 1.000 CB 1.407 8 residues pruned to eliminate duplicates Z: 16 40.468 2.124 1.021 0.864 1.000 0.800 CA 1.785 16 residues pruned to eliminate duplicates Z: 19 41.427 2.344 0.607 0.900 1.000 0.778 CA 1.852 19 residues pruned to eliminate duplicates Z: 15 22.754 1.943 0.420 0.889 1.000 0.929 CB 1.588 15 residues pruned to eliminate duplicates Z: 100 67.412 2.246 0.782 0.658 0.919 0.677 CB 1.591 99 residues pruned to eliminate duplicates Z: 14 14.682 2.112 0.509 0.362 0.923 0.769 CB 1.605 14 residues pruned to eliminate duplicates Z: 37 35.546 2.212 0.466 0.626 0.972 0.611 CB 1.670 37 residues pruned to eliminate duplicates Z: 6 13.535 2.215 0.324 0.819 1.000 1.000 CB 1.565 6 residues pruned to eliminate duplicates Z: 7 5.740 1.852 0.476 0.258 0.833 0.667 CA 1.358 7 residues pruned to eliminate duplicates Z: 16 54.518 2.536 0.975 0.924 1.000 0.933 C 1.974 16 residues pruned to eliminate duplicates Z: 12 36.102 2.344 0.833 0.880 1.000 0.818 CB 1.836 13 residues pruned to eliminate duplicates Z: 75 49.498 2.185 0.598 0.611 0.959 0.757 CB 1.546 75 residues pruned to eliminate duplicates Z: 10 15.942 2.148 0.077 0.912 1.000 1.000 CB 1.628 10 residues pruned to eliminate duplicates Z: 19 38.976 2.368 0.620 0.862 0.944 0.722 CA 1.862 19 residues pruned to eliminate duplicates Z: 22 39.651 2.275 0.584 0.895 1.000 0.810 CA 1.721 22 residues pruned to eliminate duplicates Z: 21 37.974 2.257 0.664 0.841 0.950 0.750 CB 1.774 21 residues pruned to eliminate duplicates Z: 21 46.629 2.198 0.898 0.893 1.000 0.700 CA 1.794 21 residues pruned to eliminate duplicates Z: 12 28.449 2.305 0.525 0.838 1.000 0.636 CA 1.824 12 residues pruned to eliminate duplicates Z: 10 14.359 2.157 0.000 0.916 1.000 1.000 CB 1.568 10 residues pruned to eliminate duplicates Z: 12 18.690 2.059 0.267 0.927 1.000 0.909 CB 1.514 12 residues pruned to eliminate duplicates Z: 12 27.774 2.207 0.553 0.880 1.000 0.909 CB 1.770 12 residues pruned to eliminate duplicates Z: 15 13.885 1.914 0.507 0.584 0.786 0.714 CB 1.511 15 residues pruned to eliminate duplicates Z: 8 10.899 2.063 0.153 0.855 1.000 0.857 CB 1.279 8 residues pruned to eliminate duplicates Z: 13 18.676 2.050 0.323 0.913 1.000 0.917 CB 1.407 13 residues pruned to eliminate duplicates Z: 35 35.989 2.343 0.475 0.595 0.941 0.765 CB 1.732 35 residues pruned to eliminate duplicates Z: 10 10.435 1.782 0.507 0.883 0.778 0.556 CB 1.204 10 residues pruned to eliminate duplicates Z: 20 34.594 2.271 0.603 0.856 0.947 0.789 CA 1.697 20 residues pruned to eliminate duplicates Z: 6 4.837 1.822 0.623 0.486 0.800 0.800 CB 0.928 6 residues pruned to eliminate duplicates Z: 21 24.655 1.997 0.483 0.846 0.900 0.650 CB 1.536 21 residues pruned to eliminate duplicates Z: 22 40.022 2.289 0.574 0.818 1.000 0.667 CA 1.839 22 residues pruned to eliminate duplicates Z: 11 17.707 1.908 0.557 0.902 1.000 0.500 CB 1.344 11 residues pruned to eliminate duplicates Z: 13 27.035 2.089 0.600 0.898 1.000 1.000 CA 1.670 13 residues pruned to eliminate duplicates Z: 14 26.960 2.080 0.544 0.907 1.000 0.846 CB 1.654 14 residues pruned to eliminate duplicates Z: 14 27.395 2.049 0.608 0.862 1.000 0.769 CB 1.694 14 residues pruned to eliminate duplicates Z: 6 7.867 2.013 0.590 0.429 1.000 0.600 CB 1.183 Z: 101 60.117 2.296 0.519 0.588 0.930 0.630 CB 1.704 101 residues pruned to eliminate duplicates Z: 98 71.120 2.305 0.697 0.671 0.938 0.711 CB 1.680 98 residues pruned to eliminate duplicates Z: 12 27.397 2.201 0.510 0.930 1.000 0.818 CB 1.738 12 residues pruned to eliminate duplicates Z: 114 72.998 2.333 0.664 0.610 0.938 0.655 CB 1.699 114 residues pruned to eliminate duplicates Z: 14 36.134 2.192 0.886 0.905 1.000 0.692 C 1.725 14 residues pruned to eliminate duplicates Z: 42 49.562 2.351 0.808 0.620 0.951 0.683 CB 1.709 42 residues pruned to eliminate duplicates Z: 11 17.820 2.176 0.263 0.910 1.000 0.700 CB 1.454 11 residues pruned to eliminate duplicates Z: 45 49.886 2.267 0.794 0.603 1.000 0.727 CB 1.677 45 residues pruned to eliminate duplicates Z: 85 54.264 2.224 0.700 0.642 0.869 0.655 CB 1.578 85 residues pruned to eliminate duplicates Z: 13 26.831 2.100 0.691 0.888 1.000 0.917 CB 1.570 13 residues pruned to eliminate duplicates Z: 11 17.838 2.176 0.155 0.916 1.000 1.000 CB 1.585 11 residues pruned to eliminate duplicates Z: 10 15.806 2.108 0.452 0.796 0.889 0.667 C 1.495 10 residues pruned to eliminate duplicates Z: 13 21.727 2.111 0.443 0.880 1.000 0.917 CB 1.493 13 residues pruned to eliminate duplicates Z: 10 13.946 1.977 0.107 0.932 1.000 1.000 CB 1.483 10 residues pruned to eliminate duplicates Z: 16 35.494 2.279 0.736 0.892 0.933 0.733 CB 1.783 16 residues pruned to eliminate duplicates Z: 14 20.347 1.978 0.472 0.910 1.000 0.846 CB 1.375 14 residues pruned to eliminate duplicates Z: 12 22.533 2.103 0.506 0.871 1.000 0.909 CB 1.564 12 residues pruned to eliminate duplicates Z: 16 58.487 2.431 1.202 0.948 1.000 0.867 C 1.948 16 residues pruned to eliminate duplicates Z: 15 25.504 2.173 0.646 0.695 1.000 0.643 CB 1.595 15 residues pruned to eliminate duplicates Z: 15 23.237 1.927 0.488 0.893 1.000 0.857 C 1.555 16 residues pruned to eliminate duplicates Z: 11 20.241 2.062 0.447 0.893 1.000 0.900 CB 1.540 11 residues pruned to eliminate duplicates Z: 10 18.028 2.014 0.723 0.821 0.889 0.333 CA 1.475 10 residues pruned to eliminate duplicates Z: 37 46.435 2.232 0.764 0.704 0.972 0.639 CB 1.679 29 residues pruned to eliminate duplicates Z: 100 65.902 2.261 0.713 0.659 0.899 0.667 CB 1.642 100 residues pruned to eliminate duplicates Z: 40 53.294 2.377 0.767 0.678 1.000 0.692 CB 1.725 40 residues pruned to eliminate duplicates Z: 21 35.307 2.280 0.685 0.816 0.900 0.700 CA 1.736 21 residues pruned to eliminate duplicates Z: 25 43.721 2.214 0.730 0.797 1.000 0.625 CB 1.796 25 residues pruned to eliminate duplicates Z: 8 6.058 1.938 0.556 0.293 0.857 0.571 CB 1.117 Z: 12 6.803 2.082 0.336 0.336 0.818 0.545 CB 1.078 5 residues pruned to eliminate duplicates Z: 36 36.094 2.269 0.679 0.553 0.914 0.743 CB 1.663 36 residues pruned to eliminate duplicates Z: 15 32.434 2.218 0.498 0.904 1.000 0.929 CA 1.859 15 residues pruned to eliminate duplicates Z: 99 69.800 2.290 0.663 0.661 0.949 0.694 CB 1.681 99 residues pruned to eliminate duplicates Z: 16 9.117 2.034 0.380 0.362 0.933 0.467 CB 1.042 13 residues pruned to eliminate duplicates Z: 7 6.341 1.732 1.024 0.440 0.667 0.333 CA 1.178 8 residues pruned to eliminate duplicates Z: 7 7.794 1.990 0.224 0.798 0.833 0.500 C 1.208 7 residues pruned to eliminate duplicates Z: 47 50.587 2.282 0.994 0.574 0.870 0.565 CB 1.754 47 residues pruned to eliminate duplicates Z: 25 41.224 2.217 0.676 0.756 1.000 0.625 CB 1.804 25 residues pruned to eliminate duplicates Z: 13 30.112 2.202 0.661 0.879 1.000 0.917 CB 1.723 13 residues pruned to eliminate duplicates Z: 12 32.274 2.208 0.929 0.852 0.909 0.727 CA 1.860 12 residues pruned to eliminate duplicates Z: 10 14.109 2.048 0.295 0.799 1.000 0.778 CB 1.365 10 residues pruned to eliminate duplicates Z: 57 46.122 2.266 0.604 0.611 0.946 0.696 CB 1.612 57 residues pruned to eliminate duplicates Z: 12 19.352 2.036 0.337 0.895 1.000 0.909 CB 1.536 12 residues pruned to eliminate duplicates Z: 14 28.700 2.158 0.503 0.904 1.000 0.769 CB 1.748 14 residues pruned to eliminate duplicates Z: 11 18.834 2.217 0.367 0.736 0.900 0.800 CB 1.768 11 residues pruned to eliminate duplicates Z: 98 70.599 2.298 0.774 0.654 0.918 0.660 CB 1.662 98 residues pruned to eliminate duplicates Z: 15 8.503 2.072 0.470 0.356 0.857 0.571 CB 1.016 15 residues pruned to eliminate duplicates Z: 10 7.673 1.969 0.809 0.376 0.778 0.556 CB 1.054 10 residues pruned to eliminate duplicates Z: 18 47.404 2.365 1.023 0.874 1.000 0.882 CB 1.749 18 residues pruned to eliminate duplicates Z: 37 35.738 2.249 0.687 0.506 0.944 0.694 CB 1.652 37 residues pruned to eliminate duplicates Z: 37 42.670 2.263 0.715 0.656 0.889 0.667 CB 1.784 37 residues pruned to eliminate duplicates Z: 6 3.555 1.502 0.422 0.340 1.000 0.800 C 0.887 Z: 21 41.890 2.183 0.871 0.850 0.950 0.750 CB 1.788 21 residues pruned to eliminate duplicates Z: 19 23.462 2.114 0.422 0.865 0.889 0.722 CB 1.516 19 residues pruned to eliminate duplicates Z: 110 73.458 2.310 0.677 0.624 0.927 0.697 CB 1.743 110 residues pruned to eliminate duplicates Z: 11 30.083 2.245 0.831 0.911 1.000 0.900 C 1.641 11 residues pruned to eliminate duplicates Z: 13 11.556 2.239 0.345 0.428 0.917 0.667 CB 1.303 14 residues pruned to eliminate duplicates Z: 13 16.919 2.030 0.140 0.925 1.000 0.833 CB 1.481 13 residues pruned to eliminate duplicates Z: 11 29.935 2.151 0.837 0.922 1.000 0.900 CA 1.685 11 residues pruned to eliminate duplicates Z: 61 56.484 2.309 0.672 0.605 0.933 0.617 CB 1.832 61 residues pruned to eliminate duplicates Z: 8 23.616 2.180 0.700 0.833 1.000 0.714 C 1.807 8 residues pruned to eliminate duplicates Z: 9 7.297 1.995 0.737 0.298 0.750 0.250 CB 1.244 9 residues pruned to eliminate duplicates Z: 13 24.107 2.088 0.679 0.887 1.000 0.833 CB 1.432 13 residues pruned to eliminate duplicates Z: 18 41.253 2.371 0.928 0.860 0.941 0.765 CB 1.710 18 residues pruned to eliminate duplicates Z: 14 28.121 2.042 0.816 0.869 0.923 0.846 CB 1.665 14 residues pruned to eliminate duplicates Z: 89 64.401 2.342 0.581 0.622 0.920 0.670 CB 1.795 89 residues pruned to eliminate duplicates Z: 60 36.028 2.139 0.545 0.570 0.915 0.712 CB 1.449 60 residues pruned to eliminate duplicates Z: 14 24.222 2.019 0.515 0.940 1.000 1.000 CA 1.525 14 residues pruned to eliminate duplicates Z: 45 42.268 2.245 0.631 0.615 0.932 0.636 CB 1.675 45 residues pruned to eliminate duplicates Z: 9 10.766 1.916 0.004 0.825 1.000 0.625 CB 1.494 9 residues pruned to eliminate duplicates Z: 70 45.205 2.241 0.644 0.535 0.899 0.696 CB 1.589 70 residues pruned to eliminate duplicates Z: 29 30.339 2.258 0.607 0.576 0.964 0.643 CB 1.522 29 residues pruned to eliminate duplicates Z: 11 18.207 2.052 0.358 0.906 1.000 0.800 CB 1.470 11 residues pruned to eliminate duplicates Z: 15 16.267 1.821 0.298 0.836 0.929 0.786 CB 1.483 15 residues pruned to eliminate duplicates Z: 8 17.905 2.270 0.125 0.892 1.000 0.857 CB 1.904 8 residues pruned to eliminate duplicates Z: 13 25.778 2.060 0.565 0.916 1.000 1.000 CA 1.630 13 residues pruned to eliminate duplicates Z: 11 25.934 2.142 0.610 0.919 1.000 0.900 CA 1.676 11 residues pruned to eliminate duplicates Z: 26 18.083 2.089 0.438 0.432 0.880 0.520 CB 1.468 26 residues pruned to eliminate duplicates Z: 75 45.470 2.194 0.480 0.590 0.973 0.703 CB 1.534 75 residues pruned to eliminate duplicates Z: 18 33.009 2.296 0.559 0.918 0.941 0.882 C 1.677 18 residues pruned to eliminate duplicates Z: 12 22.841 2.270 0.231 0.887 1.000 0.909 CB 1.777 12 residues pruned to eliminate duplicates Z: 13 25.083 2.103 0.543 0.891 1.000 0.833 C 1.604 13 residues pruned to eliminate duplicates Z: 11 24.406 2.115 0.596 0.911 1.000 0.600 CB 1.621 11 residues pruned to eliminate duplicates Z: 13 24.398 2.128 0.536 0.886 1.000 0.917 CB 1.554 13 residues pruned to eliminate duplicates Z: 12 30.372 2.261 0.668 0.933 1.000 1.000 CB 1.695 13 residues pruned to eliminate duplicates Z: 41 48.858 2.306 1.114 0.586 0.850 0.575 CB 1.717 41 residues pruned to eliminate duplicates Z: 9 13.846 2.002 0.466 0.864 1.000 0.750 CB 1.223 9 residues pruned to eliminate duplicates Z: 10 26.044 2.167 0.659 0.924 1.000 0.778 CB 1.696 10 residues pruned to eliminate duplicates Z: 9 10.968 1.975 0.182 0.895 1.000 0.625 CB 1.191 9 residues pruned to eliminate duplicates Z: 14 17.382 2.005 0.201 0.938 1.000 1.000 CB 1.393 14 residues pruned to eliminate duplicates Z: 76 56.266 2.323 0.712 0.582 0.920 0.613 CB 1.641 76 residues pruned to eliminate duplicates Z: 13 14.993 1.882 0.315 0.835 1.000 0.583 CB 1.310 13 residues pruned to eliminate duplicates Z: 59 49.683 2.333 0.708 0.563 0.914 0.655 CB 1.685 59 residues pruned to eliminate duplicates Z: 42 44.379 2.329 0.669 0.623 0.902 0.683 CB 1.761 42 residues pruned to eliminate duplicates Z: 12 16.726 2.170 0.106 0.906 1.000 0.818 CB 1.495 12 residues pruned to eliminate duplicates Z: 13 29.434 2.285 0.521 0.885 1.000 0.917 C 1.764 13 residues pruned to eliminate duplicates Z: 69 58.550 2.349 0.773 0.528 0.971 0.662 CB 1.710 69 residues pruned to eliminate duplicates Z: 103 63.403 2.247 0.686 0.642 0.902 0.647 CB 1.609 103 residues pruned to eliminate duplicates Z: 76 51.720 2.216 0.665 0.620 0.907 0.600 CB 1.595 76 residues pruned to eliminate duplicates Z: 15 42.243 2.260 0.867 0.924 1.000 0.857 CA 1.880 15 residues pruned to eliminate duplicates Z: 13 23.888 2.070 0.596 0.906 1.000 0.917 C 1.484 13 residues pruned to eliminate duplicates Z: 23 35.337 2.215 0.630 0.750 1.000 0.591 CB 1.669 23 residues pruned to eliminate duplicates Z: 13 32.145 2.206 0.763 0.919 0.917 0.917 CB 1.834 13 residues pruned to eliminate duplicates Z: 13 19.933 2.008 0.440 0.892 1.000 1.000 CB 1.430 13 residues pruned to eliminate duplicates Z: 111 74.488 2.319 0.656 0.631 0.927 0.664 CB 1.762 111 residues pruned to eliminate duplicates Z: 12 21.283 2.132 0.452 0.859 0.909 0.727 CB 1.678 12 residues pruned to eliminate duplicates Z: 20 25.032 2.255 0.634 0.519 0.895 0.526 CB 1.708 20 residues pruned to eliminate duplicates Z: 13 28.343 2.131 0.802 0.868 1.000 0.750 CB 1.559 13 residues pruned to eliminate duplicates Z: 11 13.741 2.168 0.473 0.424 0.900 0.600 CB 1.636 11 residues pruned to eliminate duplicates Z: 14 27.999 2.049 0.633 0.892 1.000 0.923 CB 1.667 14 residues pruned to eliminate duplicates Z: 14 36.468 2.204 0.884 0.926 1.000 0.769 C 1.708 14 residues pruned to eliminate duplicates Z: 51 37.082 2.261 0.442 0.560 0.940 0.620 CB 1.614 51 residues pruned to eliminate duplicates Z: 41 42.794 2.246 0.815 0.673 0.925 0.700 CB 1.530 41 residues pruned to eliminate duplicates Z: 9 23.079 2.203 0.672 0.824 1.000 0.750 CB 1.674 9 residues pruned to eliminate duplicates Z: 98 56.049 2.213 0.683 0.615 0.887 0.691 CB 1.547 98 residues pruned to eliminate duplicates Z: 13 17.153 1.686 0.696 0.790 1.000 0.667 CB 1.342 13 residues pruned to eliminate duplicates Z: 8 16.300 2.090 0.574 0.895 1.000 0.857 CB 1.342 8 residues pruned to eliminate duplicates Z: 20 21.325 2.093 0.302 0.631 1.000 0.842 CB 1.587 20 residues pruned to eliminate duplicates Z: 8 5.105 1.753 0.366 0.260 0.857 0.429 CB 1.238 8 residues pruned to eliminate duplicates Z: 19 22.777 2.112 0.521 0.639 0.944 0.778 CB 1.553 19 residues pruned to eliminate duplicates Z: 15 26.532 2.160 0.352 0.933 1.000 1.000 CA 1.695 15 residues pruned to eliminate duplicates Z: 77 56.699 2.326 0.569 0.581 0.934 0.618 CB 1.764 77 residues pruned to eliminate duplicates Z: 13 13.633 2.238 0.568 0.413 1.000 0.583 CB 1.228 15 residues pruned to eliminate duplicates Z: 18 23.518 2.265 0.415 0.598 0.941 0.824 CB 1.721 18 residues pruned to eliminate duplicates Z: 25 28.514 2.222 0.500 0.638 0.958 0.708 CB 1.602 25 residues pruned to eliminate duplicates Z: 12 23.465 2.038 0.814 0.719 0.909 0.545 CB 1.727 12 residues pruned to eliminate duplicates Z: 76 49.488 2.179 0.632 0.624 0.880 0.640 CB 1.625 76 residues pruned to eliminate duplicates Z: 72 36.185 2.112 0.573 0.506 0.873 0.648 CB 1.471 72 residues pruned to eliminate duplicates Z: 40 42.548 2.250 0.588 0.649 0.974 0.641 CB 1.703 40 residues pruned to eliminate duplicates Z: 10 13.485 1.999 0.187 0.889 1.000 0.889 CB 1.363 10 residues pruned to eliminate duplicates Z: 20 32.923 2.249 0.461 0.875 1.000 0.684 CB 1.672 20 residues pruned to eliminate duplicates Z: 14 14.923 1.904 0.512 0.466 0.923 0.769 CB 1.612 11 residues pruned to eliminate duplicates Z: 12 13.629 1.968 0.083 0.924 1.000 1.000 CB 1.354 12 residues pruned to eliminate duplicates Z: 14 30.686 2.277 0.420 0.942 1.000 0.923 CA 1.826 14 residues pruned to eliminate duplicates Z: 39 29.612 2.222 0.532 0.502 0.842 0.658 CB 1.672 39 residues pruned to eliminate duplicates Z: 55 38.353 2.202 0.459 0.605 0.907 0.685 CB 1.619 55 residues pruned to eliminate duplicates Z: 14 26.758 1.937 0.946 0.828 1.000 0.692 C 1.482 14 residues pruned to eliminate duplicates Z: 17 10.853 1.941 0.321 0.411 0.875 0.625 CB 1.327 17 residues pruned to eliminate duplicates Z: 8 19.542 2.301 0.337 0.875 1.000 0.714 CA 1.745 8 residues pruned to eliminate duplicates Z: 9 9.709 2.058 0.151 0.835 0.875 0.750 CA 1.241 9 residues pruned to eliminate duplicates Z: 7 6.502 2.057 0.127 0.525 0.833 0.667 CB 1.340 7 residues pruned to eliminate duplicates Z: 10 15.575 2.053 0.351 0.846 1.000 0.667 CB 1.390 10 residues pruned to eliminate duplicates Z: 29 42.234 2.213 0.993 0.656 0.929 0.714 CB 1.687 29 residues pruned to eliminate duplicates Z: 116 75.666 2.296 0.679 0.604 0.948 0.617 CB 1.750 116 residues pruned to eliminate duplicates Z: 11 12.854 1.918 0.126 0.813 1.000 0.700 CA 1.434 11 residues pruned to eliminate duplicates Z: 18 39.887 2.308 0.788 0.866 1.000 0.882 CB 1.717 18 residues pruned to eliminate duplicates Z: 9 9.892 1.764 0.414 0.888 1.000 0.750 CB 1.010 9 residues pruned to eliminate duplicates Z: 99 69.551 2.254 0.747 0.669 0.929 0.684 CB 1.644 99 residues pruned to eliminate duplicates Z: 13 21.548 2.007 0.603 0.859 1.000 0.917 CB 1.422 13 residues pruned to eliminate duplicates Z: 83 61.952 2.271 0.615 0.629 0.939 0.683 CB 1.760 83 residues pruned to eliminate duplicates Z: 45 44.257 2.282 0.612 0.598 0.977 0.682 CB 1.691 45 residues pruned to eliminate duplicates Z: 98 69.670 2.272 0.723 0.666 0.948 0.691 CB 1.635 98 residues pruned to eliminate duplicates Z: 63 43.159 2.192 0.662 0.574 0.935 0.645 CB 1.498 63 residues pruned to eliminate duplicates Z: 13 16.709 2.015 0.200 0.902 1.000 1.000 CB 1.423 13 residues pruned to eliminate duplicates Z: 28 37.990 2.167 0.582 0.734 1.000 0.704 CB 1.728 28 residues pruned to eliminate duplicates Z: 9 18.061 2.080 0.627 0.644 1.000 1.000 C 1.649 9 residues pruned to eliminate duplicates Z: 25 31.302 2.136 0.576 0.767 0.917 0.583 CB 1.634 25 residues pruned to eliminate duplicates Z: 31 21.199 2.044 0.474 0.491 0.900 0.600 CB 1.441 31 residues pruned to eliminate duplicates Z: 9 6.503 1.726 0.534 0.756 0.500 0.250 CA 1.382 9 residues pruned to eliminate duplicates Z: 24 33.737 2.192 0.508 0.797 0.957 0.652 CB 1.715 24 residues pruned to eliminate duplicates Z: 6 8.095 2.016 0.176 0.851 1.000 1.000 CA 1.130 6 residues pruned to eliminate duplicates Z: 23 27.356 2.135 0.617 0.666 0.955 0.727 CB 1.518 23 residues pruned to eliminate duplicates Z: 10 11.198 2.058 0.298 0.782 0.778 0.556 CB 1.401 10 residues pruned to eliminate duplicates Z: 31 19.693 2.065 0.441 0.479 0.900 0.767 CB 1.372 31 residues pruned to eliminate duplicates Z: 20 49.053 2.278 0.919 0.906 1.000 0.842 CA 1.831 20 residues pruned to eliminate duplicates Z: 15 23.673 2.194 0.901 0.546 0.857 0.643 CB 1.692 15 residues pruned to eliminate duplicates Z: 21 38.070 2.226 0.602 0.909 0.950 0.850 CA 1.783 21 residues pruned to eliminate duplicates Z: 17 59.195 2.421 1.200 0.914 1.000 0.562 CA 1.965 17 residues pruned to eliminate duplicates Z: 8 12.877 2.111 0.633 0.580 0.857 0.714 CB 1.526 8 residues pruned to eliminate duplicates Z: 14 20.079 2.151 0.357 0.702 0.923 0.923 C 1.720 14 residues pruned to eliminate duplicates Z: 8 15.049 2.119 0.630 0.670 0.857 0.429 CA 1.642 8 residues pruned to eliminate duplicates Z: 10 22.816 2.065 0.748 0.837 1.000 0.778 CA 1.576 10 residues pruned to eliminate duplicates Z: 15 23.183 1.872 0.620 0.877 1.000 0.786 CB 1.484 15 residues pruned to eliminate duplicates Z: 35 48.518 2.300 0.722 0.699 0.971 0.676 CB 1.804 35 residues pruned to eliminate duplicates Z: 38 42.723 2.362 0.509 0.615 0.946 0.703 CA 1.868 38 residues pruned to eliminate duplicates Z: 10 4.694 1.909 0.561 0.356 0.667 0.333 CB 0.920 10 residues pruned to eliminate duplicates Z: 45 51.576 2.324 0.934 0.594 0.932 0.636 CB 1.697 45 residues pruned to eliminate duplicates Z: 12 10.561 2.168 0.493 0.418 0.909 0.727 CB 1.178 12 residues pruned to eliminate duplicates Z: 62 48.201 2.242 0.524 0.637 0.967 0.656 CB 1.643 62 residues pruned to eliminate duplicates Z: 14 19.434 2.031 0.184 0.853 1.000 0.615 CB 1.657 14 residues pruned to eliminate duplicates Z: 13 20.849 2.079 0.261 0.919 1.000 1.000 CA 1.618 13 residues pruned to eliminate duplicates Z: 31 32.299 2.287 0.514 0.622 0.933 0.700 CB 1.627 31 residues pruned to eliminate duplicates 6 1.514 1.291 0.519 0.299 0.600 0.600 N 0.720 ? Z: 56 40.485 2.225 0.559 0.593 0.909 0.709 CB 1.584 56 residues pruned to eliminate duplicates Z: 60 44.209 2.284 0.748 0.488 0.864 0.576 CB 1.688 60 residues pruned to eliminate duplicates Z: 109 63.344 2.276 0.691 0.524 0.917 0.593 CB 1.687 82 residues pruned to eliminate duplicates Z: 9 11.696 2.139 0.122 0.817 0.875 0.625 CB 1.495 9 residues pruned to eliminate duplicates Z: 10 6.061 1.888 0.493 0.441 0.778 0.444 CB 0.980 10 residues pruned to eliminate duplicates Z: 9 13.155 1.924 0.321 0.883 1.000 0.750 CB 1.323 9 residues pruned to eliminate duplicates Z: 25 28.752 2.047 0.691 0.742 0.875 0.667 CB 1.561 25 residues pruned to eliminate duplicates Z: 12 16.132 2.280 0.633 0.357 1.000 0.636 CB 1.524 12 residues pruned to eliminate duplicates Z: 41 33.315 2.242 0.425 0.567 0.950 0.550 CB 1.626 41 residues pruned to eliminate duplicates Z: 16 53.859 2.153 1.475 0.958 1.000 0.667 CB 1.791 16 residues pruned to eliminate duplicates Z: 21 44.588 2.395 1.114 0.626 1.000 0.700 CB 1.749 21 residues pruned to eliminate duplicates Z: 14 26.021 1.950 0.758 0.915 1.000 0.615 CB 1.488 14 residues pruned to eliminate duplicates Z: 17 36.080 2.364 0.503 0.915 1.000 0.938 CB 1.794 Z: 9 12.372 1.991 0.202 0.896 1.000 0.625 CB 1.309 9 residues pruned to eliminate duplicates Z: 7 7.430 1.832 0.318 0.518 0.833 0.667 C 1.482 7 residues pruned to eliminate duplicates Z: 6 5.035 1.701 0.672 0.273 0.800 0.800 CB 1.279 4 residues pruned to eliminate duplicates Z: 15 18.797 2.041 0.672 0.559 0.929 0.929 CB 1.497 15 residues pruned to eliminate duplicates Z: 77 49.398 2.269 0.642 0.504 0.947 0.605 CB 1.599 77 residues pruned to eliminate duplicates Z: 7 7.063 1.569 0.332 0.796 1.000 0.667 CA 1.064 7 residues pruned to eliminate duplicates Z: 8 15.234 2.241 0.063 0.857 1.000 1.000 CB 1.782 8 residues pruned to eliminate duplicates Z: 9 18.436 2.142 1.017 0.788 0.750 0.500 C 1.561 9 residues pruned to eliminate duplicates Z: 7 8.952 1.854 0.614 0.594 1.000 1.000 CA 1.116 7 residues pruned to eliminate duplicates Z: 20 31.140 2.403 0.922 0.488 0.895 0.632 CB 1.751 37 residues pruned to eliminate duplicates Z: 10 9.570 1.764 0.673 0.732 0.778 0.556 CB 1.128 10 residues pruned to eliminate duplicates Z: 14 14.947 1.905 0.524 0.569 0.923 0.538 CB 1.447 14 residues pruned to eliminate duplicates Z: 12 13.981 1.922 0.583 0.720 0.909 0.636 CB 1.250 12 residues pruned to eliminate duplicates Z: 6 4.147 1.448 0.785 0.588 1.000 0.600 CB 0.660 Z: 40 43.798 2.275 0.909 0.576 0.897 0.667 CB 1.672 40 residues pruned to eliminate duplicates Z: 10 14.457 1.932 0.253 0.906 1.000 0.889 CA 1.415 10 residues pruned to eliminate duplicates Z: 9 18.137 2.017 0.277 0.893 1.000 1.000 CA 1.787 9 residues pruned to eliminate duplicates Z: 13 9.625 2.082 0.463 0.399 0.833 0.667 CB 1.218 13 residues pruned to eliminate duplicates Z: 31 30.314 2.267 0.451 0.576 1.000 0.633 CB 1.564 31 residues pruned to eliminate duplicates Z: 18 11.210 1.950 0.452 0.389 0.706 0.588 CB 1.531 18 residues pruned to eliminate duplicates Z: 10 16.695 2.023 0.787 0.722 0.778 0.556 CB 1.620 10 residues pruned to eliminate duplicates Z: 74 63.130 2.338 0.647 0.632 0.932 0.671 CB 1.820 74 residues pruned to eliminate duplicates Z: 16 19.827 2.116 0.190 0.740 1.000 0.933 CA 1.640 16 residues pruned to eliminate duplicates Z: 101 67.605 2.266 0.721 0.586 0.950 0.660 CB 1.680 108 residues pruned to eliminate duplicates Z: 24 28.930 2.089 0.751 0.671 0.957 0.696 CB 1.472 24 residues pruned to eliminate duplicates Z: 64 42.389 2.221 0.527 0.567 0.968 0.698 CB 1.525 64 residues pruned to eliminate duplicates Z: 7 6.856 1.892 0.013 0.546 1.000 1.000 C 1.396 7 residues pruned to eliminate duplicates Z: 24 33.596 2.209 0.652 0.724 0.957 0.826 CB 1.639 24 residues pruned to eliminate duplicates Z: 12 12.075 2.197 0.619 0.489 0.909 0.727 CB 1.138 12 residues pruned to eliminate duplicates Z: 59 49.735 2.202 0.742 0.596 0.879 0.603 CB 1.767 59 residues pruned to eliminate duplicates Z: 16 21.846 2.265 0.505 0.596 0.933 0.600 CB 1.619 16 residues pruned to eliminate duplicates Z: 59 47.629 2.356 0.545 0.600 0.879 0.655 CB 1.776 59 residues pruned to eliminate duplicates Z: 11 20.277 2.400 0.674 0.507 0.900 0.700 CB 1.761 11 residues pruned to eliminate duplicates Z: 8 12.337 2.186 0.104 0.771 1.000 1.000 CA 1.519 8 residues pruned to eliminate duplicates Z: 11 24.489 2.084 0.730 0.756 1.000 0.500 CA 1.710 11 residues pruned to eliminate duplicates Z: 6 2.369 1.390 0.008 0.300 1.000 0.800 O 0.946 Z: 27 50.535 2.347 1.290 0.672 0.923 0.615 CB 1.704 27 residues pruned to eliminate duplicates Z: 11 24.820 2.043 0.757 0.922 1.000 0.900 CB 1.538 11 residues pruned to eliminate duplicates Z: 8 5.755 1.842 0.623 0.273 0.714 0.429 CB 1.318 8 residues pruned to eliminate duplicates Z: 12 19.585 1.871 0.704 0.868 0.909 0.636 CB 1.489 12 residues pruned to eliminate duplicates Z: 19 40.518 2.500 0.946 0.624 1.000 0.778 CB 1.747 19 residues pruned to eliminate duplicates Z: 26 17.947 2.139 0.237 0.467 0.960 0.600 CB 1.461 26 residues pruned to eliminate duplicates Z: 48 44.453 2.322 0.722 0.534 0.936 0.596 CB 1.676 48 residues pruned to eliminate duplicates Z: 24 38.981 2.173 0.968 0.680 0.913 0.739 C 1.764 24 residues pruned to eliminate duplicates Z: 15 42.906 2.234 1.200 0.924 0.929 0.786 CA 1.765 15 residues pruned to eliminate duplicates Z: 24 31.828 2.239 0.672 0.555 0.957 0.696 CB 1.757 24 residues pruned to eliminate duplicates Z: 26 32.750 2.110 0.738 0.650 0.960 0.760 CB 1.618 26 residues pruned to eliminate duplicates Z: 11 18.337 2.126 0.444 0.927 1.000 1.000 CB 1.323 11 residues pruned to eliminate duplicates Z: 90 62.375 2.216 0.775 0.637 0.933 0.629 CB 1.585 90 residues pruned to eliminate duplicates Z: 25 31.853 2.063 0.792 0.722 0.875 0.667 CB 1.645 25 residues pruned to eliminate duplicates Z: 10 6.191 1.772 0.497 0.428 0.667 0.444 CB 1.258 10 residues pruned to eliminate duplicates Z: 10 15.138 2.114 0.992 0.424 0.778 0.556 CA 1.667 10 residues pruned to eliminate duplicates Z: 13 5.905 1.907 0.279 0.367 0.833 0.333 CB 0.967 13 residues pruned to eliminate duplicates Z: 17 22.149 2.236 0.267 0.623 1.000 0.812 CB 1.740 17 residues pruned to eliminate duplicates Z: 15 17.069 2.355 0.849 0.317 0.714 0.500 CB 1.794 15 residues pruned to eliminate duplicates Z: 11 9.726 1.976 0.279 0.389 0.900 0.600 CA 1.522 11 residues pruned to eliminate duplicates Z: 11 8.730 2.047 0.685 0.290 0.800 0.500 CB 1.266 11 residues pruned to eliminate duplicates Z: 12 3.790 1.452 0.027 0.315 1.000 0.455 C 0.941 12 residues pruned to eliminate duplicates Z: 10 18.976 2.160 0.913 0.575 1.000 0.778 CA 1.425 10 residues pruned to eliminate duplicates Z: 10 16.358 2.198 0.437 0.739 1.000 0.556 CB 1.394 10 residues pruned to eliminate duplicates Z: 6 4.555 1.344 0.344 0.630 1.000 0.600 CA 0.998 6 residues pruned to eliminate duplicates Z: 39 40.883 2.238 0.846 0.569 0.921 0.579 CB 1.630 39 residues pruned to eliminate duplicates Z: 16 59.310 2.432 1.225 0.941 1.000 0.867 C 1.964 16 residues pruned to eliminate duplicates Z: 43 48.432 2.237 0.994 0.576 0.905 0.548 CB 1.722 43 residues pruned to eliminate duplicates Z: 14 25.712 1.989 0.626 0.888 1.000 0.846 C 1.589 14 residues pruned to eliminate duplicates Z: 41 51.724 2.359 0.809 0.632 0.975 0.575 CB 1.736 41 residues pruned to eliminate duplicates Z: 14 24.595 2.062 0.635 0.832 1.000 0.846 CB 1.518 14 residues pruned to eliminate duplicates Z: 17 57.718 2.475 1.138 0.885 1.000 0.812 C 1.969 Z: 115 67.879 2.289 0.654 0.598 0.904 0.649 CB 1.693 115 residues pruned to eliminate duplicates Z: 95 60.432 2.249 0.622 0.585 0.904 0.585 CB 1.742 95 residues pruned to eliminate duplicates Z: 46 44.791 2.249 0.876 0.529 0.933 0.622 CB 1.648 46 residues pruned to eliminate duplicates Z: 6 4.012 1.893 0.366 0.295 0.800 0.800 CA 1.091 6 residues pruned to eliminate duplicates Z: 6 4.158 1.312 0.871 0.800 1.000 0.400 CB 0.582 Z: 31 23.116 2.157 0.470 0.506 0.867 0.667 CB 1.527 31 residues pruned to eliminate duplicates Z: 27 41.480 2.374 0.824 0.682 0.923 0.808 CB 1.722 27 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 58 43.100 2.214 0.511 0.599 0.982 0.719 CB 1.581 58 residues pruned to eliminate duplicates Z: 74 45.180 2.201 0.485 0.607 0.959 0.795 CB 1.523 74 residues pruned to eliminate duplicates Z: 45 48.390 2.312 0.672 0.634 1.000 0.750 CB 1.664 45 residues pruned to eliminate duplicates Z: 29 31.030 2.258 0.551 0.575 1.000 0.607 CB 1.558 29 residues pruned to eliminate duplicates Z: 74 45.161 2.203 0.495 0.597 0.945 0.740 CB 1.548 74 residues pruned to eliminate duplicates Z: 51 39.595 2.232 0.657 0.571 0.920 0.700 CB 1.537 51 residues pruned to eliminate duplicates Z: 45 49.813 2.279 0.810 0.632 1.000 0.659 CB 1.609 48 residues pruned to eliminate duplicates Z: 14 34.744 2.092 1.018 0.882 1.000 0.615 C 1.652 16 residues pruned to eliminate duplicates Z: 14 35.737 2.063 1.128 0.881 1.000 0.769 C 1.635 14 residues pruned to eliminate duplicates Z: 14 28.996 2.096 0.646 0.873 1.000 0.769 C 1.698 14 residues pruned to eliminate duplicates Z: 45 45.853 2.291 0.695 0.623 0.977 0.682 CB 1.621 45 residues pruned to eliminate duplicates Z: 28 32.980 2.265 0.682 0.592 0.963 0.630 CB 1.583 28 residues pruned to eliminate duplicates Z: 47 41.775 2.243 0.652 0.592 0.957 0.717 CB 1.592 47 residues pruned to eliminate duplicates Z: 55 49.746 2.273 0.653 0.621 0.981 0.741 CB 1.638 55 residues pruned to eliminate duplicates Z: 74 45.753 2.206 0.500 0.598 0.959 0.808 CB 1.536 74 residues pruned to eliminate duplicates Z: 45 48.711 2.311 0.685 0.623 1.000 0.773 CB 1.679 45 residues pruned to eliminate duplicates Z: 75 47.078 2.217 0.514 0.595 0.946 0.784 CB 1.574 75 residues pruned to eliminate duplicates Z: 58 45.085 2.174 0.684 0.598 0.965 0.684 CB 1.539 58 residues pruned to eliminate duplicates Z: 46 45.505 2.271 0.656 0.609 1.000 0.756 CB 1.627 46 residues pruned to eliminate duplicates Z: 56 46.076 2.237 0.619 0.589 0.982 0.727 CB 1.605 56 residues pruned to eliminate duplicates Z: 54 41.353 2.196 0.621 0.565 0.943 0.717 CB 1.588 54 residues pruned to eliminate duplicates Z: 29 29.856 2.261 0.532 0.582 1.000 0.607 CB 1.507 29 residues pruned to eliminate duplicates Z: 55 46.670 2.259 0.600 0.615 0.963 0.722 CB 1.636 55 residues pruned to eliminate duplicates Z: 44 43.252 2.253 0.701 0.593 0.977 0.698 CB 1.612 44 residues pruned to eliminate duplicates Z: 31 37.995 2.265 0.711 0.652 0.933 0.800 CB 1.664 31 residues pruned to eliminate duplicates Z: 59 42.003 2.198 0.561 0.583 0.948 0.638 CB 1.565 59 residues pruned to eliminate duplicates Z: 57 47.245 2.235 0.665 0.610 0.929 0.714 CB 1.646 57 residues pruned to eliminate duplicates Z: 23 21.995 2.085 0.714 0.469 0.955 0.636 CB 1.419 23 residues pruned to eliminate duplicates Z: 53 34.672 2.132 0.587 0.526 0.923 0.654 CB 1.501 53 residues pruned to eliminate duplicates Z: 57 41.668 2.188 0.630 0.589 0.946 0.661 CB 1.514 57 residues pruned to eliminate duplicates Z: 58 47.817 2.249 0.667 0.600 0.965 0.737 CB 1.592 58 residues pruned to eliminate duplicates Z: 45 48.357 2.304 0.699 0.639 0.977 0.750 CB 1.673 45 residues pruned to eliminate duplicates Z: 59 39.943 2.191 0.524 0.571 0.966 0.724 CB 1.519 59 residues pruned to eliminate duplicates Z: 55 47.544 2.246 0.650 0.614 0.981 0.741 CB 1.596 55 residues pruned to eliminate duplicates Z: 74 47.582 2.192 0.592 0.589 0.959 0.726 CB 1.528 74 residues pruned to eliminate duplicates Z: 74 48.074 2.215 0.582 0.590 0.959 0.726 CB 1.537 75 residues pruned to eliminate duplicates Z: 6 4.373 1.503 1.033 0.148 1.000 0.600 CA 0.988 6 residues pruned to eliminate duplicates Z: 74 46.558 2.207 0.521 0.604 0.959 0.726 CB 1.533 74 residues pruned to eliminate duplicates Z: 73 47.536 2.223 0.517 0.595 0.958 0.708 CB 1.582 73 residues pruned to eliminate duplicates Z: 47 46.270 2.264 0.763 0.589 0.978 0.674 CB 1.605 47 residues pruned to eliminate duplicates Z: 47 44.768 2.258 0.723 0.594 0.978 0.717 CB 1.585 47 residues pruned to eliminate duplicates Z: 57 47.666 2.238 0.689 0.600 0.964 0.714 CB 1.589 57 residues pruned to eliminate duplicates Z: 50 35.058 2.153 0.490 0.587 0.959 0.755 CB 1.498 50 residues pruned to eliminate duplicates Z: 58 46.704 2.252 0.629 0.595 0.965 0.684 CB 1.596 58 residues pruned to eliminate duplicates Z: 18 15.318 2.104 0.491 0.521 0.824 0.647 CB 1.409 18 residues pruned to eliminate duplicates Z: 59 42.077 2.190 0.641 0.576 0.931 0.707 CB 1.535 59 residues pruned to eliminate duplicates Z: 75 44.012 2.189 0.463 0.581 0.959 0.757 CB 1.541 75 residues pruned to eliminate duplicates Z: 17 15.429 2.092 0.452 0.553 0.875 0.562 CB 1.378 17 residues pruned to eliminate duplicates Z: 76 46.706 2.169 0.628 0.577 0.947 0.733 CB 1.498 76 residues pruned to eliminate duplicates Z: 13 14.885 2.094 0.519 0.557 0.917 0.583 CB 1.394 13 residues pruned to eliminate duplicates Z: 57 48.907 2.262 0.754 0.591 0.929 0.571 CB 1.627 57 residues pruned to eliminate duplicates Z: 57 45.325 2.248 0.702 0.587 0.929 0.571 CB 1.569 57 residues pruned to eliminate duplicates Z: 12 16.392 1.995 0.860 0.701 0.909 0.636 CB 1.220 12 residues pruned to eliminate duplicates Z: 21 18.468 1.994 0.657 0.491 0.850 0.700 CB 1.484 21 residues pruned to eliminate duplicates Z: 88 41.832 2.174 0.537 0.543 0.920 0.655 CB 1.399 88 residues pruned to eliminate duplicates Z: 12 14.784 2.217 0.024 0.747 1.000 0.818 CB 1.573 12 residues pruned to eliminate duplicates Z: 73 43.947 2.214 0.501 0.590 0.931 0.625 CB 1.536 73 residues pruned to eliminate duplicates Z: 18 17.151 2.066 0.261 0.587 1.000 0.882 CB 1.469 18 residues pruned to eliminate duplicates Z: 35 24.977 2.128 0.439 0.579 0.912 0.706 CB 1.421 35 residues pruned to eliminate duplicates Z: 75 49.434 2.183 0.650 0.598 0.946 0.716 CB 1.536 75 residues pruned to eliminate duplicates Z: 19 18.128 1.978 0.509 0.601 0.944 0.667 CB 1.376 19 residues pruned to eliminate duplicates Z: 29 23.750 2.054 0.587 0.595 0.929 0.821 CB 1.354 29 residues pruned to eliminate duplicates Z: 75 46.506 2.183 0.615 0.583 0.946 0.689 CB 1.497 75 residues pruned to eliminate duplicates Z: 73 47.930 2.190 0.649 0.584 0.944 0.681 CB 1.528 73 residues pruned to eliminate duplicates Z: 75 49.724 2.198 0.650 0.587 0.959 0.730 CB 1.529 75 residues pruned to eliminate duplicates Z: 19 20.245 2.000 0.584 0.600 0.944 0.722 CB 1.449 19 residues pruned to eliminate duplicates Z: 14 7.940 2.011 0.346 0.321 0.846 0.462 CB 1.172 13 residues pruned to eliminate duplicates Z: 6 4.561 1.779 0.660 0.419 1.000 0.600 CB 0.752 6 residues pruned to eliminate duplicates Z: 14 10.788 2.110 0.472 0.442 0.923 0.692 CB 1.108 13 residues pruned to eliminate duplicates Z: 6 3.459 1.626 0.450 0.322 0.800 0.400 CA 0.998 6 residues pruned to eliminate duplicates Z: 11 5.970 2.082 0.337 0.383 0.800 0.700 CB 0.961 11 residues pruned to eliminate duplicates Z: 15 10.820 2.132 0.516 0.402 0.857 0.571 CB 1.157 16 residues pruned to eliminate duplicates Z: 6 3.332 1.833 0.151 0.268 0.800 0.400 CA 1.150 Z: 13 21.411 2.207 0.527 0.710 1.000 0.750 CA 1.516 5 residues pruned to eliminate duplicates Z: 11 20.094 2.156 0.714 0.664 1.000 0.500 CA 1.477 11 residues pruned to eliminate duplicates Z: 37 41.150 2.324 0.880 0.548 0.889 0.556 CB 1.686 68 residues pruned to eliminate duplicates Z: 15 24.901 2.282 0.612 0.544 1.000 0.286 CA 1.734 Z: 9 21.046 2.344 0.528 0.871 1.000 0.625 CA 1.516 9 residues pruned to eliminate duplicates Z: 64 59.186 2.318 0.875 0.541 0.952 0.587 CB 1.730 79 residues pruned to eliminate duplicates Z: 41 48.224 2.361 0.894 0.569 0.900 0.650 CB 1.772 41 residues pruned to eliminate duplicates Z: 37 52.420 2.331 0.954 0.634 0.972 0.528 CB 1.739 37 residues pruned to eliminate duplicates Z: 47 49.657 2.262 0.870 0.535 0.935 0.478 CB 1.789 47 residues pruned to eliminate duplicates Z: 108 66.169 2.305 0.581 0.564 0.935 0.579 CB 1.765 108 residues pruned to eliminate duplicates Z: 141 81.877 2.344 0.671 0.575 0.921 0.600 CB 1.783 141 residues pruned to eliminate duplicates Z: 64 54.844 2.341 0.493 0.621 0.952 0.667 CB 1.852 58 residues pruned to eliminate duplicates Z: 14 30.868 2.220 0.671 0.852 0.923 0.769 CB 1.849 14 residues pruned to eliminate duplicates Z: 101 67.660 2.262 0.630 0.661 0.900 0.680 CB 1.757 65 residues pruned to eliminate duplicates Z: 15 34.889 2.117 0.954 0.878 1.000 0.786 C 1.635 15 residues pruned to eliminate duplicates Z: 14 38.686 2.266 1.032 0.852 1.000 0.769 C 1.723 14 residues pruned to eliminate duplicates Z: 67 50.394 2.298 0.512 0.577 0.894 0.530 CB 1.853 67 residues pruned to eliminate duplicates Z: 10 15.735 2.050 0.772 0.581 0.889 0.556 C 1.502 10 residues pruned to eliminate duplicates Z: 100 61.984 2.266 0.533 0.592 0.919 0.606 CB 1.786 100 residues pruned to eliminate duplicates Z: 23 22.323 2.071 0.613 0.551 0.818 0.455 C 1.657 23 residues pruned to eliminate duplicates Z: 112 66.648 2.285 0.609 0.572 0.928 0.613 CB 1.729 112 residues pruned to eliminate duplicates Z: 103 60.293 2.280 0.522 0.568 0.922 0.618 CB 1.747 88 residues pruned to eliminate duplicates Z: 17 30.469 1.954 0.943 0.690 1.000 0.438 CB 1.686 17 residues pruned to eliminate duplicates Z: 109 72.603 2.317 0.622 0.617 0.907 0.630 CB 1.834 109 residues pruned to eliminate duplicates Z: 64 58.432 2.352 0.621 0.594 0.937 0.603 CB 1.884 64 residues pruned to eliminate duplicates Z: 99 69.573 2.329 0.621 0.623 0.908 0.653 CB 1.826 99 residues pruned to eliminate duplicates Z: 97 74.857 2.339 0.694 0.633 0.927 0.562 CB 1.835 97 residues pruned to eliminate duplicates Z: 95 61.378 2.326 0.521 0.595 0.904 0.681 CB 1.807 95 residues pruned to eliminate duplicates Z: 67 46.634 2.260 0.607 0.545 0.848 0.561 CB 1.782 67 residues pruned to eliminate duplicates Z: 144 85.008 2.311 0.745 0.599 0.902 0.531 CB 1.778 99 residues pruned to eliminate duplicates Z: 9 15.246 2.214 0.180 0.765 0.875 0.875 CB 1.864 9 residues pruned to eliminate duplicates Z: 63 55.559 2.351 0.545 0.602 0.935 0.597 CB 1.885 63 residues pruned to eliminate duplicates Z: 63 56.843 2.346 0.594 0.610 0.952 0.548 CB 1.827 63 residues pruned to eliminate duplicates Z: 101 77.040 2.376 0.786 0.591 0.900 0.540 CB 1.849 108 residues pruned to eliminate duplicates Z: 6 6.440 2.114 0.034 0.395 1.000 0.400 CA 1.472 6 residues pruned to eliminate duplicates Z: 99 62.699 2.239 0.648 0.586 0.898 0.551 CB 1.760 99 residues pruned to eliminate duplicates Z: 45 46.794 2.325 0.582 0.582 0.955 0.591 CA 1.858 45 residues pruned to eliminate duplicates Z: 87 62.358 2.330 0.544 0.616 0.930 0.605 CB 1.799 87 residues pruned to eliminate duplicates Z: 84 64.701 2.302 0.610 0.644 0.940 0.639 CB 1.782 84 residues pruned to eliminate duplicates Z: 67 55.207 2.289 0.666 0.588 0.894 0.545 CB 1.832 67 residues pruned to eliminate duplicates Z: 85 61.583 2.345 0.526 0.636 0.917 0.667 CB 1.804 85 residues pruned to eliminate duplicates Z: 100 69.565 2.301 0.663 0.637 0.889 0.636 CB 1.807 100 residues pruned to eliminate duplicates Z: 120 84.255 2.301 0.763 0.610 0.933 0.613 CB 1.839 120 residues pruned to eliminate duplicates Z: 87 51.986 2.206 0.554 0.534 0.965 0.547 CB 1.639 87 residues pruned to eliminate duplicates Z: 19 30.433 2.129 0.584 0.852 0.889 0.833 CA 1.770 19 residues pruned to eliminate duplicates Z: 98 71.000 2.312 0.628 0.644 0.918 0.639 CB 1.824 98 residues pruned to eliminate duplicates Z: 89 66.269 2.292 0.636 0.626 0.932 0.625 CB 1.796 89 residues pruned to eliminate duplicates Z: 87 67.216 2.332 0.632 0.634 0.907 0.616 CB 1.852 87 residues pruned to eliminate duplicates Z: 178 94.323 2.330 0.656 0.617 0.944 0.655 CB 1.743 178 residues pruned to eliminate duplicates Z: 110 74.006 2.318 0.686 0.619 0.908 0.688 CB 1.785 110 residues pruned to eliminate duplicates Z: 52 43.595 2.324 0.537 0.561 0.882 0.588 CB 1.825 52 residues pruned to eliminate duplicates Z: 104 64.991 2.266 0.609 0.579 0.932 0.612 CB 1.747 104 residues pruned to eliminate duplicates Z: 101 71.456 2.310 0.669 0.641 0.910 0.670 CB 1.786 101 residues pruned to eliminate duplicates Z: 85 63.102 2.295 0.603 0.637 0.929 0.690 CB 1.772 85 residues pruned to eliminate duplicates Z: 101 68.810 2.279 0.660 0.633 0.910 0.630 CB 1.764 101 residues pruned to eliminate duplicates Z: 59 60.602 2.339 0.708 0.638 0.931 0.655 CB 1.880 59 residues pruned to eliminate duplicates Z: 63 58.458 2.331 0.679 0.612 0.903 0.548 CB 1.889 63 residues pruned to eliminate duplicates Z: 51 43.956 2.349 0.516 0.571 0.900 0.560 CB 1.812 51 residues pruned to eliminate duplicates Z: 52 49.091 2.317 0.558 0.573 0.961 0.627 CB 1.847 52 residues pruned to eliminate duplicates Z: 85 67.307 2.327 0.598 0.647 0.940 0.643 CB 1.832 85 residues pruned to eliminate duplicates Z: 64 62.508 2.348 0.712 0.647 0.937 0.667 CB 1.825 64 residues pruned to eliminate duplicates Z: 65 53.812 2.302 0.574 0.577 0.922 0.625 CB 1.871 65 residues pruned to eliminate duplicates Z: 77 62.163 2.341 0.565 0.647 0.947 0.658 CB 1.791 77 residues pruned to eliminate duplicates Z: 38 43.606 2.384 0.586 0.583 0.946 0.595 CB 1.851 38 residues pruned to eliminate duplicates Z: 63 63.329 2.356 0.688 0.631 0.952 0.645 CB 1.878 63 residues pruned to eliminate duplicates Z: 98 73.914 2.329 0.630 0.653 0.948 0.639 CB 1.807 98 residues pruned to eliminate duplicates Z: 50 45.972 2.341 0.485 0.590 0.939 0.592 CB 1.846 50 residues pruned to eliminate duplicates Z: 91 60.733 2.321 0.524 0.620 0.900 0.667 CB 1.795 91 residues pruned to eliminate duplicates Z: 86 63.691 2.330 0.585 0.636 0.918 0.694 CB 1.795 86 residues pruned to eliminate duplicates Z: 77 68.628 2.356 0.659 0.663 0.934 0.671 CB 1.854 77 residues pruned to eliminate duplicates Z: 88 65.635 2.301 0.619 0.625 0.920 0.621 CB 1.826 88 residues pruned to eliminate duplicates Z: 110 69.872 2.294 0.616 0.625 0.917 0.624 CB 1.749 110 residues pruned to eliminate duplicates Z: 36 41.267 2.241 0.601 0.686 0.914 0.686 CB 1.793 36 residues pruned to eliminate duplicates Z: 86 59.542 2.297 0.591 0.610 0.906 0.635 CB 1.757 86 residues pruned to eliminate duplicates Z: 101 63.249 2.311 0.581 0.581 0.920 0.620 CB 1.740 101 residues pruned to eliminate duplicates Z: 87 63.045 2.337 0.599 0.627 0.907 0.616 CB 1.780 87 residues pruned to eliminate duplicates Z: 32 35.466 2.279 0.593 0.598 0.903 0.677 CB 1.769 32 residues pruned to eliminate duplicates Z: 103 64.484 2.303 0.551 0.626 0.902 0.637 CB 1.759 103 residues pruned to eliminate duplicates Z: 84 66.070 2.325 0.618 0.652 0.928 0.735 CB 1.805 84 residues pruned to eliminate duplicates Z: 44 47.579 2.276 0.726 0.624 0.930 0.744 CB 1.767 44 residues pruned to eliminate duplicates Z: 103 63.073 2.308 0.556 0.590 0.931 0.627 CB 1.714 103 residues pruned to eliminate duplicates Z: 97 63.885 2.302 0.611 0.599 0.906 0.615 CB 1.765 97 residues pruned to eliminate duplicates Z: 105 72.630 2.303 0.650 0.641 0.923 0.615 CB 1.780 105 residues pruned to eliminate duplicates Z: 108 76.558 2.316 0.695 0.640 0.925 0.654 CB 1.787 108 residues pruned to eliminate duplicates Z: 23 25.085 2.136 0.515 0.659 0.909 0.727 CB 1.568 23 residues pruned to eliminate duplicates Z: 107 65.529 2.267 0.642 0.562 0.925 0.585 CB 1.741 107 residues pruned to eliminate duplicates Z: 111 78.157 2.308 0.720 0.623 0.936 0.664 CB 1.786 111 residues pruned to eliminate duplicates Z: 95 62.572 2.289 0.567 0.619 0.926 0.713 CB 1.737 95 residues pruned to eliminate duplicates Z: 93 71.100 2.369 0.650 0.627 0.935 0.750 CB 1.801 101 residues pruned to eliminate duplicates Z: 6 4.648 1.734 0.367 0.431 0.800 0.200 CB 1.178 6 residues pruned to eliminate duplicates Z: 99 74.914 2.334 0.682 0.662 0.918 0.694 CB 1.806 99 residues pruned to eliminate duplicates Z: 49 36.583 2.188 0.645 0.520 0.917 0.604 CB 1.569 49 residues pruned to eliminate duplicates Z: 104 72.529 2.309 0.586 0.648 0.942 0.660 CB 1.805 104 residues pruned to eliminate duplicates Z: 101 72.725 2.326 0.615 0.664 0.910 0.660 CB 1.827 101 residues pruned to eliminate duplicates Z: 29 22.060 2.039 0.390 0.568 0.893 0.679 CB 1.543 29 residues pruned to eliminate duplicates Z: 97 61.990 2.299 0.575 0.584 0.917 0.625 CB 1.759 97 residues pruned to eliminate duplicates Z: 101 72.759 2.341 0.611 0.658 0.930 0.720 CB 1.791 101 residues pruned to eliminate duplicates Z: 108 75.426 2.293 0.679 0.633 0.953 0.636 CB 1.754 108 residues pruned to eliminate duplicates Z: 48 35.561 2.209 0.518 0.568 0.872 0.681 CB 1.660 48 residues pruned to eliminate duplicates Z: 26 23.913 2.214 0.281 0.631 0.920 0.680 CB 1.620 26 residues pruned to eliminate duplicates Z: 95 60.564 2.317 0.556 0.594 0.904 0.628 CB 1.752 95 residues pruned to eliminate duplicates Z: 22 15.868 2.116 0.224 0.429 0.905 0.524 CB 1.591 19 residues pruned to eliminate duplicates Z: 13 17.029 2.118 0.023 0.893 1.000 0.667 CB 1.628 13 residues pruned to eliminate duplicates Z: 108 73.739 2.321 0.597 0.632 0.953 0.701 CB 1.782 108 residues pruned to eliminate duplicates Z: 52 44.507 2.308 0.618 0.590 0.922 0.706 CB 1.661 52 residues pruned to eliminate duplicates Z: 104 60.984 2.285 0.556 0.576 0.922 0.573 CB 1.703 104 residues pruned to eliminate duplicates Z: 32 27.096 2.172 0.452 0.528 0.935 0.677 CB 1.604 32 residues pruned to eliminate duplicates Z: 147 76.199 2.299 0.656 0.557 0.918 0.671 CB 1.708 97 residues pruned to eliminate duplicates Z: 6 4.473 1.621 0.617 0.356 0.800 0.800 C 1.114 6 residues pruned to eliminate duplicates Z: 35 26.670 2.181 0.395 0.534 0.941 0.706 CB 1.544 35 residues pruned to eliminate duplicates Z: 102 58.991 2.299 0.508 0.587 0.921 0.634 CB 1.691 102 residues pruned to eliminate duplicates Z: 111 75.443 2.293 0.696 0.604 0.945 0.645 CB 1.772 111 residues pruned to eliminate duplicates Z: 50 37.031 2.215 0.579 0.541 0.898 0.612 CB 1.617 50 residues pruned to eliminate duplicates Z: 6 2.913 1.885 -0.019 0.285 0.800 0.000 CB 1.122 Z: 7 2.948 1.918 0.183 0.256 0.667 0.167 CB 1.053 6 residues pruned to eliminate duplicates Z: 26 21.212 2.191 0.444 0.469 0.960 0.640 CB 1.443 33 residues pruned to eliminate duplicates Z: 13 6.038 1.954 0.215 0.324 0.917 0.333 CB 0.971 13 residues pruned to eliminate duplicates Z: 104 60.649 2.277 0.517 0.581 0.951 0.592 CB 1.682 104 residues pruned to eliminate duplicates Z: 40 23.513 2.141 0.565 0.390 0.821 0.564 CB 1.538 40 residues pruned to eliminate duplicates Z: 159 82.360 2.273 0.694 0.580 0.930 0.620 CB 1.692 161 residues pruned to eliminate duplicates Z: 14 26.785 2.328 0.582 0.699 0.923 0.538 CB 1.822 14 residues pruned to eliminate duplicates Z: 46 54.560 2.418 0.726 0.600 1.000 0.689 CB 1.772 43 residues pruned to eliminate duplicates Z: 13 25.371 2.224 0.367 0.860 1.000 0.833 CA 1.772 13 residues pruned to eliminate duplicates Z: 40 41.878 2.329 0.720 0.593 0.897 0.615 CB 1.707 40 residues pruned to eliminate duplicates Z: 70 43.022 2.224 0.528 0.557 0.913 0.667 CB 1.580 70 residues pruned to eliminate duplicates Z: 48 43.407 2.316 0.700 0.546 0.936 0.660 CB 1.643 48 residues pruned to eliminate duplicates Z: 74 58.940 2.358 0.680 0.552 0.959 0.644 CB 1.727 46 residues pruned to eliminate duplicates Z: 13 26.166 2.101 0.778 0.890 0.917 0.917 C 1.588 13 residues pruned to eliminate duplicates Z: 72 58.731 2.349 0.630 0.605 0.958 0.718 CB 1.720 72 residues pruned to eliminate duplicates Z: 45 54.932 2.431 0.799 0.596 0.977 0.705 CB 1.769 45 residues pruned to eliminate duplicates Z: 77 46.879 2.255 0.543 0.544 0.934 0.658 CB 1.585 77 residues pruned to eliminate duplicates Z: 30 20.990 2.172 0.418 0.494 0.897 0.621 CB 1.420 30 residues pruned to eliminate duplicates Z: 49 46.479 2.364 0.751 0.529 0.958 0.667 CB 1.643 49 residues pruned to eliminate duplicates Z: 15 21.581 2.253 0.534 0.664 0.857 0.714 CB 1.674 15 residues pruned to eliminate duplicates Z: 23 27.672 2.289 0.614 0.614 0.955 0.727 CB 1.501 23 residues pruned to eliminate duplicates Z: 24 29.320 2.301 0.550 0.593 0.957 0.783 CB 1.641 24 residues pruned to eliminate duplicates Z: 74 63.835 2.391 0.689 0.604 0.959 0.795 CB 1.748 74 residues pruned to eliminate duplicates Z: 59 54.124 2.384 0.738 0.571 0.948 0.621 CB 1.689 59 residues pruned to eliminate duplicates Z: 35 23.065 2.205 0.496 0.435 0.912 0.529 CB 1.407 35 residues pruned to eliminate duplicates Z: 46 49.495 2.394 0.689 0.581 0.978 0.689 CB 1.726 46 residues pruned to eliminate duplicates Z: 57 35.899 2.225 0.568 0.487 0.893 0.518 CB 1.560 57 residues pruned to eliminate duplicates Z: 34 34.031 2.326 0.633 0.515 0.939 0.545 CB 1.635 34 residues pruned to eliminate duplicates Z: 45 48.391 2.389 0.687 0.565 0.977 0.614 CB 1.739 45 residues pruned to eliminate duplicates Z: 29 29.292 2.239 0.664 0.545 0.893 0.643 CB 1.593 29 residues pruned to eliminate duplicates Z: 75 55.610 2.349 0.628 0.573 0.919 0.716 CB 1.714 74 residues pruned to eliminate duplicates Z: 14 36.195 2.371 0.840 0.778 1.000 0.692 CB 1.801 14 residues pruned to eliminate duplicates Z: 58 53.655 2.399 0.713 0.589 0.947 0.684 CB 1.676 58 residues pruned to eliminate duplicates Z: 75 57.439 2.334 0.681 0.562 0.932 0.689 CB 1.718 75 residues pruned to eliminate duplicates Z: 74 64.391 2.384 0.708 0.597 0.973 0.726 CB 1.734 74 residues pruned to eliminate duplicates Z: 49 46.938 2.344 0.735 0.565 0.938 0.604 CB 1.668 49 residues pruned to eliminate duplicates Z: 42 48.167 2.395 0.734 0.583 0.951 0.610 CB 1.759 42 residues pruned to eliminate duplicates Z: 50 46.686 2.353 0.684 0.547 0.939 0.592 CB 1.713 50 residues pruned to eliminate duplicates Z: 46 54.224 2.381 0.847 0.560 0.978 0.667 CB 1.773 46 residues pruned to eliminate duplicates Z: 46 53.383 2.415 0.768 0.593 0.978 0.667 CB 1.744 46 residues pruned to eliminate duplicates Z: 75 62.377 2.364 0.686 0.602 0.959 0.716 CB 1.720 75 residues pruned to eliminate duplicates Z: 44 52.713 2.386 0.802 0.603 1.000 0.674 CB 1.695 44 residues pruned to eliminate duplicates Z: 51 42.197 2.275 0.706 0.501 0.940 0.520 CB 1.635 51 residues pruned to eliminate duplicates Z: 50 46.762 2.380 0.751 0.548 0.878 0.633 CB 1.743 50 residues pruned to eliminate duplicates Z: 46 50.492 2.388 0.706 0.591 1.000 0.711 CB 1.693 46 residues pruned to eliminate duplicates Z: 59 57.504 2.347 0.796 0.584 0.966 0.638 CB 1.712 59 residues pruned to eliminate duplicates Z: 35 36.793 2.370 0.559 0.585 0.941 0.765 CB 1.672 35 residues pruned to eliminate duplicates Z: 75 57.525 2.325 0.703 0.565 0.932 0.716 CB 1.700 75 residues pruned to eliminate duplicates Z: 83 50.165 2.317 0.612 0.530 0.890 0.610 CB 1.617 83 residues pruned to eliminate duplicates Z: 36 35.348 2.318 0.484 0.585 0.943 0.686 CB 1.698 36 residues pruned to eliminate duplicates Z: 35 35.928 2.323 0.563 0.575 0.941 0.706 CB 1.677 35 residues pruned to eliminate duplicates Z: 7 5.376 1.906 0.120 0.508 0.833 0.667 CB 1.223 7 residues pruned to eliminate duplicates Z: 78 55.667 2.346 0.672 0.545 0.922 0.610 CB 1.679 78 residues pruned to eliminate duplicates Z: 61 47.351 2.327 0.694 0.545 0.900 0.500 CB 1.649 61 residues pruned to eliminate duplicates Z: 74 60.391 2.366 0.745 0.587 0.918 0.685 CB 1.717 74 residues pruned to eliminate duplicates Z: 35 37.144 2.342 0.592 0.560 0.941 0.765 CB 1.713 35 residues pruned to eliminate duplicates Z: 8 24.794 2.318 0.621 0.868 1.000 0.714 CB 1.823 8 residues pruned to eliminate duplicates Z: 18 27.453 2.356 0.834 0.553 0.882 0.706 CB 1.658 18 residues pruned to eliminate duplicates Z: 62 53.682 2.328 0.736 0.566 0.934 0.656 CB 1.707 62 residues pruned to eliminate duplicates Z: 62 51.472 2.338 0.742 0.548 0.918 0.525 CB 1.682 62 residues pruned to eliminate duplicates Z: 75 54.397 2.323 0.632 0.569 0.932 0.635 CB 1.674 75 residues pruned to eliminate duplicates Z: 74 62.058 2.372 0.721 0.579 0.959 0.685 CB 1.721 74 residues pruned to eliminate duplicates Z: 48 52.498 2.401 0.738 0.603 0.936 0.660 CB 1.778 48 residues pruned to eliminate duplicates Z: 35 40.193 2.375 0.612 0.580 0.941 0.676 CB 1.771 35 residues pruned to eliminate duplicates Z: 19 18.263 2.132 0.315 0.505 0.944 0.722 CB 1.618 19 residues pruned to eliminate duplicates Z: 35 39.423 2.365 0.616 0.588 0.941 0.794 CB 1.726 35 residues pruned to eliminate duplicates Z: 161 80.983 2.326 0.592 0.585 0.944 0.650 CB 1.688 163 residues pruned to eliminate duplicates Z: 11 21.520 2.262 0.282 0.825 1.000 1.000 CA 1.771 11 residues pruned to eliminate duplicates Z: 35 40.809 2.352 0.701 0.588 0.941 0.706 CB 1.708 35 residues pruned to eliminate duplicates Z: 75 57.229 2.336 0.721 0.574 0.932 0.635 CB 1.653 75 residues pruned to eliminate duplicates Z: 35 38.602 2.350 0.616 0.577 0.941 0.676 CB 1.720 35 residues pruned to eliminate duplicates Z: 11 20.102 2.161 0.269 0.900 1.000 0.900 CB 1.656 11 residues pruned to eliminate duplicates Z: 48 34.864 2.161 0.752 0.510 0.915 0.574 CB 1.454 48 residues pruned to eliminate duplicates Z: 88 51.056 2.248 0.697 0.502 0.908 0.586 CB 1.577 88 residues pruned to eliminate duplicates Z: 87 50.614 2.273 0.642 0.514 0.895 0.605 CB 1.611 87 residues pruned to eliminate duplicates Z: 18 24.136 2.214 0.674 0.475 0.941 0.647 CB 1.721 18 residues pruned to eliminate duplicates Z: 42 33.106 2.259 0.675 0.430 0.902 0.634 CB 1.629 42 residues pruned to eliminate duplicates Z: 50 39.366 2.266 0.628 0.474 0.939 0.673 CB 1.668 38 residues pruned to eliminate duplicates Z: 6 6.266 2.014 0.425 0.443 1.000 0.800 CA 1.036 Z: 79 63.147 2.377 0.745 0.550 0.936 0.628 CB 1.755 52 residues pruned to eliminate duplicates Z: 6 2.530 1.727 0.551 0.283 0.600 0.600 CB 0.899 6 residues pruned to eliminate duplicates Z: 65 56.576 2.291 0.778 0.556 0.969 0.609 CB 1.696 65 residues pruned to eliminate duplicates Z: 45 45.180 2.333 0.886 0.508 0.886 0.523 CB 1.733 45 residues pruned to eliminate duplicates Z: 41 48.596 2.308 0.872 0.583 0.925 0.625 CB 1.775 41 residues pruned to eliminate duplicates Z: 39 55.611 2.352 0.934 0.646 0.947 0.579 CB 1.827 39 residues pruned to eliminate duplicates Z: 48 45.260 2.292 0.807 0.527 0.894 0.617 CB 1.737 48 residues pruned to eliminate duplicates Z: 42 52.223 2.364 0.955 0.571 0.902 0.585 CB 1.827 39 residues pruned to eliminate duplicates Z: 23 57.549 2.351 1.316 0.785 1.000 0.500 CB 1.754 23 residues pruned to eliminate duplicates Z: 41 52.572 2.326 1.015 0.578 0.925 0.525 CB 1.779 41 residues pruned to eliminate duplicates Z: 42 54.262 2.383 1.028 0.571 0.927 0.585 CB 1.767 42 residues pruned to eliminate duplicates Z: 41 53.655 2.344 1.081 0.577 0.875 0.475 CB 1.845 41 residues pruned to eliminate duplicates Z: 65 55.387 2.315 0.880 0.536 0.906 0.578 CB 1.694 65 residues pruned to eliminate duplicates Z: 41 57.245 2.397 1.009 0.579 0.950 0.550 CB 1.834 41 residues pruned to eliminate duplicates Z: 18 49.720 2.429 0.985 0.890 1.000 0.882 CB 1.799 18 residues pruned to eliminate duplicates Z: 121 83.883 2.380 0.832 0.556 0.942 0.617 CB 1.766 120 residues pruned to eliminate duplicates Z: 18 45.846 2.386 0.889 0.879 1.000 0.882 CB 1.790 18 residues pruned to eliminate duplicates Z: 41 52.118 2.358 1.012 0.571 0.925 0.575 CB 1.753 41 residues pruned to eliminate duplicates Z: 44 49.535 2.353 0.928 0.551 0.907 0.558 CB 1.747 44 residues pruned to eliminate duplicates Z: 172 85.461 2.327 0.729 0.548 0.930 0.602 CB 1.666 172 residues pruned to eliminate duplicates Z: 40 55.606 2.341 1.104 0.578 0.949 0.590 CB 1.767 40 residues pruned to eliminate duplicates Z: 37 36.264 2.210 0.934 0.551 0.861 0.528 CB 1.563 37 residues pruned to eliminate duplicates Z: 40 53.577 2.376 1.021 0.588 0.897 0.615 CB 1.830 40 residues pruned to eliminate duplicates Z: 121 76.482 2.342 0.815 0.547 0.917 0.617 CB 1.711 121 residues pruned to eliminate duplicates Z: 81 59.494 2.348 0.815 0.529 0.900 0.625 CB 1.686 81 residues pruned to eliminate duplicates Z: 15 12.849 1.970 0.548 0.385 1.000 0.429 CB 1.272 15 residues pruned to eliminate duplicates Z: 11 13.318 2.076 0.721 0.327 0.900 0.800 CB 1.584 11 residues pruned to eliminate duplicates Z: 15 13.255 2.054 0.539 0.301 0.857 0.500 CB 1.633 15 residues pruned to eliminate duplicates Z: 15 14.694 2.076 0.415 0.367 0.929 0.571 CB 1.659 15 residues pruned to eliminate duplicates Z: 12 9.711 2.008 0.630 0.272 0.818 0.545 CB 1.416 12 residues pruned to eliminate duplicates Z: 11 9.920 2.117 0.466 0.306 0.800 0.600 CB 1.568 11 residues pruned to eliminate duplicates Z: 50 44.304 2.285 0.744 0.539 0.898 0.571 CB 1.702 50 residues pruned to eliminate duplicates Z: 49 52.196 2.324 0.806 0.583 0.958 0.646 CB 1.730 49 residues pruned to eliminate duplicates Z: 47 57.153 2.351 0.917 0.578 0.957 0.696 CB 1.813 47 residues pruned to eliminate duplicates Z: 48 52.928 2.336 0.809 0.578 0.957 0.660 CB 1.770 48 residues pruned to eliminate duplicates Z: 50 44.920 2.265 0.773 0.534 0.898 0.551 CB 1.721 50 residues pruned to eliminate duplicates Z: 12 7.551 2.087 0.599 0.163 0.727 0.364 CB 1.415 12 residues pruned to eliminate duplicates Z: 78 55.628 2.220 0.790 0.622 0.909 0.584 CB 1.564 53 residues pruned to eliminate duplicates Z: 22 45.876 2.264 0.940 0.796 1.000 0.619 CA 1.759 22 residues pruned to eliminate duplicates Z: 41 48.532 2.314 0.896 0.599 0.925 0.500 CB 1.720 40 residues pruned to eliminate duplicates Z: 19 39.195 2.256 0.716 0.882 1.000 0.889 CA 1.726 19 residues pruned to eliminate duplicates Z: 44 37.304 2.213 0.657 0.556 0.930 0.558 CB 1.579 44 residues pruned to eliminate duplicates Z: 38 51.563 2.327 0.921 0.634 0.946 0.649 CB 1.768 39 residues pruned to eliminate duplicates Z: 18 53.294 2.349 1.095 0.903 1.000 0.882 CA 1.871 18 residues pruned to eliminate duplicates Z: 38 45.579 2.278 0.748 0.651 0.946 0.622 CB 1.729 38 residues pruned to eliminate duplicates Z: 40 52.211 2.374 0.824 0.622 0.949 0.667 CB 1.814 40 residues pruned to eliminate duplicates Z: 49 46.165 2.284 0.793 0.538 0.938 0.583 CB 1.673 49 residues pruned to eliminate duplicates Z: 39 48.629 2.284 0.792 0.654 0.974 0.658 CB 1.715 39 residues pruned to eliminate duplicates Z: 48 50.998 2.322 0.798 0.559 0.936 0.638 CB 1.797 48 residues pruned to eliminate duplicates Z: 42 42.386 2.276 0.879 0.552 0.854 0.659 CB 1.723 42 residues pruned to eliminate duplicates Z: 36 50.692 2.336 0.765 0.679 0.943 0.743 CB 1.870 36 residues pruned to eliminate duplicates Z: 39 46.943 2.297 0.865 0.620 0.921 0.658 CB 1.723 39 residues pruned to eliminate duplicates Z: 35 49.921 2.304 0.870 0.650 0.971 0.676 CB 1.780 35 residues pruned to eliminate duplicates Z: 50 45.955 2.272 0.860 0.554 0.918 0.633 CB 1.604 50 residues pruned to eliminate duplicates Z: 41 48.455 2.241 0.947 0.599 0.950 0.525 CB 1.682 41 residues pruned to eliminate duplicates Z: 38 49.661 2.328 0.881 0.636 0.919 0.514 CB 1.786 38 residues pruned to eliminate duplicates Z: 51 48.115 2.247 0.926 0.565 0.900 0.560 CB 1.641 51 residues pruned to eliminate duplicates Z: 42 43.912 2.192 0.870 0.584 0.927 0.439 CB 1.665 42 residues pruned to eliminate duplicates Z: 42 45.679 2.316 0.822 0.573 0.902 0.488 CB 1.745 42 residues pruned to eliminate duplicates Z: 12 17.125 2.176 0.444 0.628 0.909 0.545 CA 1.603 12 residues pruned to eliminate duplicates Z: 51 45.641 2.264 0.858 0.513 0.920 0.640 CB 1.646 51 residues pruned to eliminate duplicates Z: 50 45.178 2.271 0.733 0.557 0.959 0.633 CB 1.618 50 residues pruned to eliminate duplicates Z: 48 48.501 2.306 0.830 0.557 0.915 0.617 CB 1.734 48 residues pruned to eliminate duplicates Z: 42 50.228 2.287 0.908 0.598 0.951 0.610 CB 1.721 42 residues pruned to eliminate duplicates Z: 38 51.326 2.293 0.986 0.627 0.946 0.541 CB 1.738 38 residues pruned to eliminate duplicates Z: 36 54.609 2.353 0.981 0.662 0.943 0.571 CB 1.807 36 residues pruned to eliminate duplicates Z: 71 46.927 2.245 0.520 0.578 0.900 0.629 CB 1.694 71 residues pruned to eliminate duplicates Z: 57 55.143 2.286 0.796 0.611 0.911 0.607 CB 1.775 57 residues pruned to eliminate duplicates Z: 38 37.462 2.269 0.521 0.659 0.865 0.649 CB 1.779 38 residues pruned to eliminate duplicates Z: 124 71.799 2.300 0.653 0.602 0.919 0.683 CB 1.682 54 residues pruned to eliminate duplicates Z: 16 38.370 2.265 0.750 0.864 1.000 0.667 CB 1.832 16 residues pruned to eliminate duplicates Z: 17 36.152 2.199 0.997 0.723 1.000 0.625 CB 1.682 17 residues pruned to eliminate duplicates Z: 102 62.699 2.263 0.599 0.638 0.921 0.644 CB 1.645 79 residues pruned to eliminate duplicates Z: 15 43.168 2.242 0.993 0.881 1.000 0.714 CA 1.870 15 residues pruned to eliminate duplicates Z: 16 41.297 2.295 1.002 0.837 0.933 0.667 CB 1.859 16 residues pruned to eliminate duplicates Z: 18 39.243 2.240 1.155 0.719 0.941 0.706 CB 1.719 18 residues pruned to eliminate duplicates Z: 27 42.399 2.297 0.836 0.740 0.885 0.654 CB 1.797 27 residues pruned to eliminate duplicates Z: 65 54.990 2.299 0.673 0.615 0.953 0.594 CB 1.681 65 residues pruned to eliminate duplicates Z: 100 64.459 2.269 0.681 0.629 0.919 0.626 CB 1.637 100 residues pruned to eliminate duplicates Z: 41 41.964 2.338 0.736 0.565 0.875 0.600 CB 1.754 41 residues pruned to eliminate duplicates Z: 77 61.460 2.287 0.656 0.646 0.947 0.645 CB 1.715 77 residues pruned to eliminate duplicates Z: 58 55.756 2.314 0.668 0.660 0.947 0.649 CB 1.741 58 residues pruned to eliminate duplicates Z: 15 52.986 2.409 1.267 0.868 1.000 0.857 CB 1.896 15 residues pruned to eliminate duplicates Z: 74 56.266 2.237 0.695 0.613 0.932 0.630 CB 1.675 74 residues pruned to eliminate duplicates Z: 77 58.240 2.267 0.647 0.647 0.921 0.605 CB 1.694 77 residues pruned to eliminate duplicates Z: 65 51.894 2.278 0.651 0.598 0.938 0.578 CB 1.677 65 residues pruned to eliminate duplicates Z: 77 56.751 2.289 0.642 0.649 0.895 0.737 CB 1.684 77 residues pruned to eliminate duplicates Z: 76 58.201 2.273 0.620 0.643 0.933 0.680 CB 1.711 76 residues pruned to eliminate duplicates Z: 31 36.885 2.271 0.902 0.630 0.867 0.567 CB 1.592 31 residues pruned to eliminate duplicates Z: 100 67.040 2.273 0.666 0.641 0.929 0.657 CB 1.678 100 residues pruned to eliminate duplicates Z: 10 16.111 2.071 0.256 0.843 1.000 0.778 CA 1.537 10 residues pruned to eliminate duplicates Z: 64 53.991 2.280 0.727 0.627 0.921 0.524 CB 1.665 64 residues pruned to eliminate duplicates Z: 99 69.667 2.289 0.702 0.653 0.939 0.735 CB 1.669 99 residues pruned to eliminate duplicates Z: 98 68.431 2.303 0.688 0.660 0.918 0.660 CB 1.679 98 residues pruned to eliminate duplicates Z: 99 70.110 2.285 0.693 0.654 0.949 0.684 CB 1.672 99 residues pruned to eliminate duplicates Z: 41 43.820 2.331 0.704 0.580 0.925 0.625 CB 1.746 41 residues pruned to eliminate duplicates Z: 65 52.756 2.267 0.680 0.600 0.938 0.594 CB 1.679 65 residues pruned to eliminate duplicates Z: 46 46.746 2.369 0.624 0.647 0.889 0.711 CB 1.777 46 residues pruned to eliminate duplicates Z: 76 61.427 2.286 0.652 0.670 0.947 0.680 CB 1.697 76 residues pruned to eliminate duplicates Z: 98 70.528 2.286 0.667 0.675 0.948 0.649 CB 1.687 99 residues pruned to eliminate duplicates Z: 7 7.655 1.917 0.136 0.504 1.000 0.833 CA 1.429 7 residues pruned to eliminate duplicates Z: 101 62.085 2.240 0.628 0.647 0.920 0.690 CB 1.613 101 residues pruned to eliminate duplicates Z: 99 69.458 2.287 0.680 0.665 0.929 0.673 CB 1.687 99 residues pruned to eliminate duplicates Z: 100 67.524 2.280 0.662 0.656 0.929 0.687 CB 1.667 100 residues pruned to eliminate duplicates Z: 76 60.383 2.307 0.653 0.664 0.933 0.653 CB 1.684 76 residues pruned to eliminate duplicates Z: 101 64.839 2.259 0.678 0.645 0.920 0.640 CB 1.625 101 residues pruned to eliminate duplicates Z: 68 54.077 2.287 0.748 0.597 0.910 0.567 CB 1.655 68 residues pruned to eliminate duplicates Z: 85 58.986 2.245 0.737 0.643 0.881 0.607 CB 1.639 85 residues pruned to eliminate duplicates Z: 102 70.242 2.272 0.796 0.603 0.901 0.584 CB 1.723 102 residues pruned to eliminate duplicates Z: 86 55.155 2.216 0.603 0.642 0.929 0.671 CB 1.587 85 residues pruned to eliminate duplicates Z: 13 26.743 2.164 0.586 0.840 0.917 0.750 CB 1.831 Z: 22 39.829 2.215 0.655 0.859 1.000 0.619 CB 1.745 35 residues pruned to eliminate duplicates Z: 98 70.181 2.287 0.728 0.665 0.938 0.680 CB 1.650 98 residues pruned to eliminate duplicates Z: 100 66.794 2.265 0.694 0.651 0.929 0.646 CB 1.636 100 residues pruned to eliminate duplicates Z: 99 67.437 2.291 0.694 0.652 0.908 0.663 CB 1.677 99 residues pruned to eliminate duplicates Z: 99 69.913 2.285 0.687 0.671 0.939 0.663 CB 1.666 99 residues pruned to eliminate duplicates Z: 99 68.303 2.277 0.714 0.653 0.929 0.663 CB 1.652 99 residues pruned to eliminate duplicates Z: 62 54.891 2.291 0.662 0.636 0.967 0.623 CB 1.679 62 residues pruned to eliminate duplicates Z: 59 56.283 2.283 0.685 0.674 0.931 0.603 CB 1.758 59 residues pruned to eliminate duplicates Z: 56 40.811 2.157 0.558 0.670 0.909 0.673 CB 1.539 56 residues pruned to eliminate duplicates Z: 77 51.136 2.193 0.607 0.639 0.934 0.697 CB 1.564 77 residues pruned to eliminate duplicates Z: 66 53.808 2.274 0.695 0.626 0.938 0.708 CB 1.638 66 residues pruned to eliminate duplicates Z: 99 66.891 2.279 0.728 0.656 0.888 0.663 CB 1.673 99 residues pruned to eliminate duplicates Z: 99 71.182 2.268 0.712 0.684 0.939 0.704 CB 1.666 99 residues pruned to eliminate duplicates Z: 48 38.147 2.247 0.479 0.575 0.957 0.617 CB 1.627 48 residues pruned to eliminate duplicates Z: 81 55.335 2.218 0.639 0.621 0.950 0.600 CB 1.599 81 residues pruned to eliminate duplicates Z: 100 69.567 2.238 0.734 0.668 0.939 0.667 CB 1.642 100 residues pruned to eliminate duplicates Z: 99 69.236 2.260 0.760 0.651 0.929 0.704 CB 1.644 99 residues pruned to eliminate duplicates Z: 95 66.280 2.249 0.743 0.670 0.915 0.713 CB 1.629 95 residues pruned to eliminate duplicates Z: 77 58.057 2.274 0.681 0.661 0.895 0.711 CB 1.677 77 residues pruned to eliminate duplicates Z: 99 67.915 2.286 0.706 0.657 0.918 0.684 CB 1.656 99 residues pruned to eliminate duplicates Z: 99 67.233 2.268 0.705 0.654 0.929 0.694 CB 1.639 99 residues pruned to eliminate duplicates Z: 99 67.232 2.287 0.666 0.660 0.929 0.724 CB 1.655 99 residues pruned to eliminate duplicates Z: 135 84.375 2.300 0.746 0.650 0.918 0.649 CB 1.720 135 residues pruned to eliminate duplicates Z: 79 56.611 2.234 0.703 0.646 0.910 0.654 CB 1.616 79 residues pruned to eliminate duplicates Z: 99 70.080 2.276 0.686 0.659 0.949 0.673 CB 1.677 99 residues pruned to eliminate duplicates Z: 98 62.409 2.233 0.747 0.631 0.897 0.649 CB 1.601 98 residues pruned to eliminate duplicates Z: 99 70.021 2.287 0.716 0.668 0.918 0.704 CB 1.679 99 residues pruned to eliminate duplicates Z: 77 64.547 2.280 0.789 0.671 0.934 0.645 CB 1.659 77 residues pruned to eliminate duplicates Z: 94 60.885 2.227 0.681 0.629 0.914 0.613 CB 1.635 94 residues pruned to eliminate duplicates Z: 99 73.053 2.274 0.791 0.665 0.939 0.714 CB 1.656 99 residues pruned to eliminate duplicates Z: 36 43.279 2.280 0.805 0.720 0.914 0.657 CB 1.594 36 residues pruned to eliminate duplicates Z: 98 74.363 2.292 0.797 0.671 0.948 0.670 CB 1.651 98 residues pruned to eliminate duplicates Z: 37 41.494 2.247 0.858 0.694 0.889 0.722 CB 1.561 37 residues pruned to eliminate duplicates Z: 100 68.038 2.276 0.730 0.649 0.919 0.657 CB 1.645 100 residues pruned to eliminate duplicates Z: 35 43.925 2.278 0.804 0.739 0.912 0.794 CB 1.623 35 residues pruned to eliminate duplicates Z: 100 66.538 2.255 0.737 0.654 0.899 0.667 CB 1.646 100 residues pruned to eliminate duplicates Z: 141 77.296 2.250 0.770 0.611 0.900 0.679 CB 1.639 141 residues pruned to eliminate duplicates Z: 54 47.898 2.181 0.830 0.669 0.906 0.660 CB 1.557 54 residues pruned to eliminate duplicates Z: 98 71.692 2.301 0.762 0.669 0.928 0.670 CB 1.655 98 residues pruned to eliminate duplicates Z: 100 69.413 2.271 0.734 0.657 0.929 0.646 CB 1.648 100 residues pruned to eliminate duplicates Z: 36 45.070 2.229 0.944 0.719 0.914 0.657 CB 1.578 36 residues pruned to eliminate duplicates Z: 98 73.769 2.272 0.803 0.676 0.938 0.711 CB 1.656 99 residues pruned to eliminate duplicates Z: 6 5.969 1.826 0.506 0.423 1.000 0.400 CB 1.051 6 residues pruned to eliminate duplicates Z: 98 72.026 2.300 0.775 0.669 0.928 0.691 CB 1.651 98 residues pruned to eliminate duplicates Z: 100 70.426 2.268 0.798 0.661 0.909 0.657 CB 1.645 100 residues pruned to eliminate duplicates Z: 24 32.710 2.236 0.725 0.658 0.913 0.696 CB 1.673 24 residues pruned to eliminate duplicates Z: 19 28.531 2.180 0.759 0.638 0.889 0.778 CB 1.733 19 residues pruned to eliminate duplicates Z: 71 57.821 2.244 0.697 0.689 0.929 0.700 CB 1.643 71 residues pruned to eliminate duplicates Z: 136 84.966 2.285 0.774 0.652 0.926 0.644 CB 1.691 136 residues pruned to eliminate duplicates Z: 17 32.636 2.256 0.825 0.677 0.938 0.750 CB 1.795 17 residues pruned to eliminate duplicates Z: 21 25.217 1.980 0.686 0.576 0.950 0.700 CB 1.653 21 residues pruned to eliminate duplicates Z: 22 40.218 2.323 0.838 0.743 0.952 0.810 CB 1.736 22 residues pruned to eliminate duplicates Z: 71 54.711 2.243 0.636 0.655 0.943 0.700 CB 1.637 71 residues pruned to eliminate duplicates Z: 18 27.294 2.177 0.661 0.651 0.941 0.824 CB 1.690 18 residues pruned to eliminate duplicates Z: 19 28.276 2.126 0.702 0.612 0.944 0.722 C 1.753 19 residues pruned to eliminate duplicates 454 residues left after pruning, divided into chains as follows: A: 87 B: 21 C: 202 D: 8 E: 122 F: 14 CC for partial structure against native data = 38.94 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.382, Connect. = 0.754 for dens.mod. cycle 1 = 0.300, Contrast = 0.428, Connect. = 0.772 for dens.mod. cycle 2 = 0.300, Contrast = 0.508, Connect. = 0.801 for dens.mod. cycle 3 = 0.300, Contrast = 0.510, Connect. = 0.802 for dens.mod. cycle 4 = 0.300, Contrast = 0.518, Connect. = 0.804 for dens.mod. cycle 5 = 0.300, Contrast = 0.523, Connect. = 0.805 for dens.mod. cycle 6 = 0.300, Contrast = 0.529, Connect. = 0.807 for dens.mod. cycle 7 = 0.300, Contrast = 0.532, Connect. = 0.808 for dens.mod. cycle 8 = 0.300, Contrast = 0.536, Connect. = 0.809 for dens.mod. cycle 9 = 0.300, Contrast = 0.539, Connect. = 0.810 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3441 peaks > 0.5 sigma used to seed fragment search Space for about 512 unique residues taking solvent into account 699 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 57 51.201 2.406 0.769 0.589 0.875 0.679 CB 1.686 B: 12 48.554 2.586 0.996 0.849 1.000 0.909 CB 2.101 12 residues pruned to eliminate duplicates C: 13 42.563 2.480 0.814 0.896 1.000 0.833 CB 1.957 13 residues pruned to eliminate duplicates D: 19 37.249 2.393 0.563 0.871 0.944 0.778 CA 1.814 E: 44 48.442 2.324 0.719 0.620 0.953 0.744 CB 1.732 44 residues pruned to eliminate duplicates F: 13 38.967 2.477 0.785 0.884 1.000 0.917 CB 1.839 13 residues pruned to eliminate duplicates G: 22 22.880 2.354 0.637 0.494 0.857 0.571 CB 1.521 22 residues pruned to eliminate duplicates H: 14 46.374 2.516 0.719 0.935 1.000 1.000 CA 2.073 I: 14 31.936 2.312 0.715 0.829 0.923 0.615 CB 1.821 14 residues pruned to eliminate duplicates J: 13 36.958 2.471 0.747 0.870 1.000 0.917 CB 1.803 13 residues pruned to eliminate duplicates K: 16 42.299 2.203 0.929 0.900 1.000 0.867 CA 1.836 15 residues pruned to eliminate duplicates L: 13 35.332 2.469 0.648 0.864 1.000 0.833 CB 1.838 13 residues pruned to eliminate duplicates M: 17 39.920 2.332 0.622 0.922 1.000 0.938 CA 1.856 N: 15 40.705 2.338 0.843 0.859 0.929 0.857 C 2.000 15 residues pruned to eliminate duplicates O: 14 37.539 2.308 0.760 0.895 1.000 1.000 CB 1.837 14 residues pruned to eliminate duplicates P: 14 34.545 2.290 0.729 0.835 1.000 0.923 CA 1.812 Q: 12 22.961 2.174 0.454 0.873 0.909 0.727 C 1.755 12 residues pruned to eliminate duplicates R: 13 32.850 2.468 0.560 0.863 1.000 0.833 CB 1.808 13 residues pruned to eliminate duplicates S: 10 13.357 2.144 0.226 0.807 0.889 0.889 CB 1.457 T: 13 27.045 2.298 0.356 0.886 1.000 0.750 C 1.807 13 residues pruned to eliminate duplicates U: 17 45.841 2.329 0.810 0.935 1.000 1.000 CA 1.894 17 residues pruned to eliminate duplicates V: 15 30.534 2.209 0.429 0.904 1.000 0.929 CB 1.842 W: 13 23.152 2.184 0.536 0.823 0.917 0.917 CB 1.642 X: 23 40.737 2.179 0.735 0.859 0.955 0.727 C 1.770 Y: 8 16.698 2.351 0.138 0.812 1.000 0.571 CA 1.798 10 residues pruned to eliminate duplicates Z: 12 31.995 2.282 0.558 0.876 1.000 0.818 CB 1.972 13 residues pruned to eliminate duplicates Z: 17 50.501 2.466 0.805 0.897 1.000 0.938 CA 2.030 17 residues pruned to eliminate duplicates Z: 18 37.088 2.270 0.549 0.933 1.000 1.000 CA 1.785 18 residues pruned to eliminate duplicates Z: 18 44.521 2.302 0.839 0.890 1.000 0.882 CB 1.834 17 residues pruned to eliminate duplicates Z: 14 36.665 2.304 0.649 0.928 1.000 0.846 CB 1.874 14 residues pruned to eliminate duplicates Z: 14 30.969 2.272 0.581 0.849 1.000 0.923 CA 1.773 14 residues pruned to eliminate duplicates Z: 10 19.229 2.234 0.454 0.848 1.000 0.556 CA 1.463 Z: 20 40.170 2.297 0.650 0.846 1.000 0.737 CA 1.806 20 residues pruned to eliminate duplicates Z: 15 39.725 2.355 0.619 0.922 1.000 0.929 CA 1.958 15 residues pruned to eliminate duplicates Z: 21 38.209 2.262 0.630 0.840 0.950 0.750 CB 1.821 21 residues pruned to eliminate duplicates Z: 12 47.846 2.479 0.990 0.933 1.000 0.545 CB 2.041 12 residues pruned to eliminate duplicates Z: 14 33.290 2.281 0.617 0.902 1.000 0.923 C 1.785 14 residues pruned to eliminate duplicates Z: 46 48.622 2.244 0.835 0.598 1.000 0.689 CB 1.603 12 residues pruned to eliminate duplicates Z: 14 57.780 2.503 1.129 0.934 1.000 0.923 CA 2.098 15 residues pruned to eliminate duplicates Z: 20 41.018 2.451 0.557 0.840 0.947 0.684 CA 1.943 20 residues pruned to eliminate duplicates Z: 20 20.002 2.121 0.474 0.549 0.842 0.684 CB 1.661 20 residues pruned to eliminate duplicates Z: 14 31.072 2.196 0.603 0.922 1.000 0.923 CA 1.721 14 residues pruned to eliminate duplicates Z: 19 46.736 2.266 1.082 0.826 0.944 0.889 CA 1.863 19 residues pruned to eliminate duplicates Z: 16 12.973 1.950 0.472 0.329 0.867 0.600 CB 1.624 Z: 10 21.233 1.942 0.653 0.830 1.000 0.778 CB 1.659 10 residues pruned to eliminate duplicates Z: 85 65.773 2.329 0.631 0.647 0.929 0.667 CB 1.774 41 residues pruned to eliminate duplicates Z: 13 34.133 2.384 0.622 0.883 1.000 0.917 CB 1.843 13 residues pruned to eliminate duplicates Z: 12 31.416 2.296 0.533 0.896 1.000 0.909 CB 1.928 12 residues pruned to eliminate duplicates Z: 15 12.602 1.987 0.691 0.265 0.857 0.643 CB 1.528 15 residues pruned to eliminate duplicates Z: 15 31.028 2.149 0.543 0.929 1.000 1.000 C 1.751 15 residues pruned to eliminate duplicates Z: 35 44.040 2.248 0.763 0.705 0.941 0.794 CB 1.680 35 residues pruned to eliminate duplicates Z: 18 35.640 2.249 0.674 0.874 0.941 0.941 C 1.776 18 residues pruned to eliminate duplicates Z: 13 26.909 2.080 0.533 0.913 1.000 0.833 CB 1.724 Z: 19 44.285 2.270 0.875 0.870 1.000 0.889 CA 1.790 19 residues pruned to eliminate duplicates Z: 74 58.382 2.369 0.603 0.576 0.973 0.699 CB 1.721 58 residues pruned to eliminate duplicates Z: 10 24.669 1.993 0.696 0.842 1.000 0.889 CA 1.813 10 residues pruned to eliminate duplicates Z: 15 30.739 2.180 0.666 0.917 0.929 0.857 CB 1.720 15 residues pruned to eliminate duplicates Z: 10 19.822 2.273 0.728 0.802 0.889 0.778 CA 1.454 11 residues pruned to eliminate duplicates Z: 10 17.962 2.173 0.356 0.849 1.000 0.556 CA 1.507 10 residues pruned to eliminate duplicates Z: 11 21.388 2.159 0.333 0.907 1.000 0.900 CA 1.670 11 residues pruned to eliminate duplicates Z: 16 39.670 2.209 0.833 0.919 1.000 0.800 CA 1.783 16 residues pruned to eliminate duplicates Z: 17 45.183 2.360 0.782 0.925 1.000 0.875 C 1.886 17 residues pruned to eliminate duplicates Z: 14 26.873 2.217 0.345 0.936 1.000 1.000 CB 1.740 14 residues pruned to eliminate duplicates Z: 13 20.799 2.033 0.322 0.921 1.000 1.000 CB 1.572 13 residues pruned to eliminate duplicates Z: 14 26.465 2.174 0.417 0.928 1.000 0.923 CA 1.668 14 residues pruned to eliminate duplicates Z: 15 29.276 2.181 0.790 0.746 0.929 0.786 CB 1.732 15 residues pruned to eliminate duplicates Z: 13 20.067 2.078 0.176 0.873 1.000 0.750 CB 1.727 13 residues pruned to eliminate duplicates Z: 9 13.564 2.230 0.366 0.809 0.750 0.625 CA 1.603 9 residues pruned to eliminate duplicates Z: 13 31.265 2.367 0.384 0.949 1.000 1.000 CB 1.901 13 residues pruned to eliminate duplicates Z: 17 45.415 2.334 0.790 0.918 1.000 1.000 CB 1.916 17 residues pruned to eliminate duplicates Z: 19 41.840 2.262 0.957 0.840 0.944 0.778 CA 1.760 19 residues pruned to eliminate duplicates Z: 12 28.608 2.174 0.688 0.917 1.000 1.000 CB 1.658 12 residues pruned to eliminate duplicates Z: 11 15.798 2.022 0.448 0.857 1.000 0.900 CA 1.257 11 residues pruned to eliminate duplicates Z: 24 33.367 2.236 0.573 0.777 0.870 0.696 C 1.781 24 residues pruned to eliminate duplicates Z: 18 30.059 2.039 0.842 0.926 0.941 0.941 CB 1.446 Z: 14 33.537 2.298 0.534 0.942 1.000 1.000 C 1.830 14 residues pruned to eliminate duplicates Z: 11 21.031 2.146 0.311 0.909 1.000 0.800 CA 1.679 11 residues pruned to eliminate duplicates Z: 13 31.260 2.193 0.585 0.896 1.000 0.917 CB 1.859 13 residues pruned to eliminate duplicates Z: 11 31.558 2.299 0.693 0.927 1.000 0.900 C 1.796 11 residues pruned to eliminate duplicates Z: 10 40.906 2.544 0.816 0.918 1.000 0.778 C 2.082 10 residues pruned to eliminate duplicates Z: 13 18.352 2.150 0.265 0.836 0.917 0.667 CA 1.591 13 residues pruned to eliminate duplicates Z: 22 34.541 2.242 0.504 0.835 0.952 0.619 CB 1.759 23 residues pruned to eliminate duplicates Z: 56 42.853 2.211 0.569 0.599 0.964 0.709 CB 1.573 46 residues pruned to eliminate duplicates Z: 10 14.655 1.977 0.222 0.867 1.000 0.667 CB 1.480 Z: 12 29.528 2.163 0.727 0.924 1.000 1.000 CB 1.674 12 residues pruned to eliminate duplicates Z: 73 55.883 2.370 0.610 0.565 0.944 0.681 CB 1.716 73 residues pruned to eliminate duplicates Z: 22 31.516 2.261 0.326 0.833 1.000 0.667 CA 1.721 22 residues pruned to eliminate duplicates Z: 9 24.613 2.232 0.565 0.820 1.000 0.875 CA 1.888 9 residues pruned to eliminate duplicates Z: 10 14.771 2.114 0.312 0.814 0.889 0.556 CA 1.520 10 residues pruned to eliminate duplicates Z: 13 21.286 2.114 0.338 0.873 1.000 0.833 CB 1.583 13 residues pruned to eliminate duplicates Z: 18 42.504 2.363 0.656 0.908 1.000 0.941 CA 1.871 18 residues pruned to eliminate duplicates Z: 12 31.273 2.345 0.610 0.872 1.000 0.818 CB 1.820 12 residues pruned to eliminate duplicates Z: 14 30.140 2.296 0.380 0.935 1.000 1.000 CB 1.839 14 residues pruned to eliminate duplicates Z: 19 38.082 2.241 0.714 0.862 1.000 0.889 CA 1.716 19 residues pruned to eliminate duplicates Z: 9 25.659 2.223 0.589 0.893 1.000 1.000 CA 1.843 9 residues pruned to eliminate duplicates Z: 25 34.682 2.225 0.477 0.736 0.958 0.542 CB 1.818 25 residues pruned to eliminate duplicates Z: 10 11.896 2.056 0.008 0.891 1.000 0.889 CB 1.375 9 residues pruned to eliminate duplicates Z: 63 60.901 2.360 0.655 0.638 0.935 0.613 CB 1.860 66 residues pruned to eliminate duplicates Z: 15 36.499 2.383 0.501 0.935 1.000 0.929 CA 1.902 15 residues pruned to eliminate duplicates Z: 14 24.859 1.948 0.703 0.897 0.923 0.692 CB 1.612 13 residues pruned to eliminate duplicates Z: 9 9.130 1.994 0.160 0.839 1.000 0.500 CB 1.043 9 residues pruned to eliminate duplicates Z: 14 21.120 1.974 0.630 0.850 0.923 0.923 C 1.461 14 residues pruned to eliminate duplicates Z: 13 21.927 2.161 0.533 0.829 0.917 0.917 CB 1.569 13 residues pruned to eliminate duplicates Z: 14 25.060 2.002 0.610 0.880 1.000 0.923 CB 1.562 14 residues pruned to eliminate duplicates Z: 15 51.641 2.355 1.071 0.934 1.000 0.857 C 1.974 15 residues pruned to eliminate duplicates Z: 14 34.451 2.252 0.592 0.906 1.000 1.000 CB 1.895 14 residues pruned to eliminate duplicates Z: 12 30.181 2.312 0.465 0.902 1.000 1.000 CB 1.916 12 residues pruned to eliminate duplicates Z: 11 20.107 2.146 0.358 0.881 1.000 0.800 CB 1.580 11 residues pruned to eliminate duplicates Z: 13 23.489 2.149 0.508 0.817 0.917 0.917 CB 1.734 13 residues pruned to eliminate duplicates Z: 82 58.503 2.310 0.790 0.524 0.889 0.617 CB 1.727 64 residues pruned to eliminate duplicates Z: 13 31.913 2.259 0.633 0.911 1.000 0.917 C 1.771 13 residues pruned to eliminate duplicates Z: 11 13.045 1.899 0.132 0.815 0.900 0.700 CB 1.622 11 residues pruned to eliminate duplicates Z: 16 40.441 2.118 0.991 0.881 1.000 0.867 CA 1.794 16 residues pruned to eliminate duplicates Z: 12 34.728 2.299 0.781 0.863 1.000 0.727 CA 1.876 12 residues pruned to eliminate duplicates Z: 10 22.407 2.253 0.288 0.916 1.000 1.000 CA 1.817 10 residues pruned to eliminate duplicates Z: 14 32.826 2.055 0.917 0.872 1.000 0.769 CB 1.684 14 residues pruned to eliminate duplicates Z: 13 26.746 2.159 0.592 0.868 1.000 0.750 CB 1.642 13 residues pruned to eliminate duplicates Z: 25 38.100 2.235 0.473 0.784 1.000 0.708 CB 1.840 22 residues pruned to eliminate duplicates Z: 14 23.258 2.078 0.587 0.776 0.923 0.692 CB 1.660 14 residues pruned to eliminate duplicates Z: 94 63.991 2.317 0.583 0.606 0.925 0.667 CB 1.769 94 residues pruned to eliminate duplicates Z: 12 32.435 2.257 0.696 0.896 1.000 1.000 CA 1.830 12 residues pruned to eliminate duplicates Z: 8 18.816 2.304 0.331 0.844 1.000 0.857 CA 1.725 Z: 182 82.794 2.318 0.653 0.542 0.912 0.619 CB 1.690 164 residues pruned to eliminate duplicates Z: 10 20.436 2.191 0.460 0.792 1.000 0.778 C 1.648 10 residues pruned to eliminate duplicates Z: 14 31.853 2.209 0.655 0.911 1.000 0.923 C 1.712 14 residues pruned to eliminate duplicates Z: 21 40.317 2.349 0.571 0.837 1.000 0.600 CA 1.827 21 residues pruned to eliminate duplicates Z: 19 42.052 2.268 0.941 0.827 0.944 0.722 CA 1.796 19 residues pruned to eliminate duplicates Z: 11 31.733 2.249 0.830 0.911 1.000 1.000 C 1.728 11 residues pruned to eliminate duplicates Z: 19 40.782 2.340 0.613 0.852 0.944 0.722 C 1.994 19 residues pruned to eliminate duplicates Z: 17 34.214 2.172 0.805 0.934 1.000 0.938 CB 1.521 17 residues pruned to eliminate duplicates Z: 16 41.529 2.240 0.843 0.914 1.000 1.000 CA 1.838 15 residues pruned to eliminate duplicates Z: 12 32.048 2.267 0.599 0.905 1.000 1.000 C 1.897 12 residues pruned to eliminate duplicates Z: 20 9.770 1.980 0.443 0.304 0.789 0.632 CB 1.236 36 residues pruned to eliminate duplicates Z: 6 10.174 2.204 0.514 0.690 0.800 0.800 C 1.432 6 residues pruned to eliminate duplicates Z: 9 28.754 2.210 0.756 0.862 1.000 1.000 CB 1.923 9 residues pruned to eliminate duplicates Z: 13 31.955 2.185 0.676 0.899 1.000 0.917 CA 1.802 13 residues pruned to eliminate duplicates Z: 13 21.668 2.089 0.445 0.919 1.000 0.833 C 1.461 13 residues pruned to eliminate duplicates Z: 57 47.693 2.249 0.639 0.595 0.964 0.661 CB 1.638 57 residues pruned to eliminate duplicates Z: 9 15.050 2.215 0.249 0.892 0.875 0.750 CA 1.579 9 residues pruned to eliminate duplicates Z: 11 20.650 2.158 0.268 0.915 1.000 1.000 CA 1.687 11 residues pruned to eliminate duplicates Z: 16 30.547 2.041 0.602 0.915 1.000 1.000 CB 1.706 14 residues pruned to eliminate duplicates Z: 14 28.294 2.102 0.845 0.843 1.000 0.769 CB 1.507 Z: 25 44.427 2.323 1.102 0.691 0.917 0.542 CB 1.700 25 residues pruned to eliminate duplicates Z: 15 20.685 1.851 0.527 0.861 0.929 0.786 CB 1.547 15 residues pruned to eliminate duplicates Z: 11 23.806 2.039 0.599 0.921 1.000 0.900 CB 1.625 Z: 12 23.762 2.350 0.358 0.873 0.909 0.727 CA 1.799 12 residues pruned to eliminate duplicates Z: 18 49.274 2.318 1.000 0.886 1.000 0.765 CA 1.860 18 residues pruned to eliminate duplicates Z: 15 43.724 2.338 0.788 0.936 1.000 0.929 CA 1.947 15 residues pruned to eliminate duplicates Z: 49 45.809 2.297 0.717 0.545 0.938 0.562 CB 1.711 29 residues pruned to eliminate duplicates Z: 44 37.212 2.240 0.587 0.623 0.884 0.628 CB 1.609 44 residues pruned to eliminate duplicates Z: 11 10.482 1.903 0.047 0.806 0.900 0.500 CB 1.415 11 residues pruned to eliminate duplicates Z: 9 19.885 2.105 0.638 0.787 0.875 0.625 CA 1.810 9 residues pruned to eliminate duplicates Z: 18 35.779 2.325 0.444 0.897 1.000 0.941 CA 1.851 18 residues pruned to eliminate duplicates Z: 10 14.053 1.955 0.159 0.793 1.000 0.556 CA 1.599 10 residues pruned to eliminate duplicates Z: 9 24.673 2.203 0.795 0.890 1.000 0.750 CB 1.587 9 residues pruned to eliminate duplicates Z: 14 22.080 1.924 0.560 0.843 1.000 0.846 CB 1.519 14 residues pruned to eliminate duplicates Z: 96 66.238 2.315 0.631 0.601 0.916 0.642 CB 1.785 96 residues pruned to eliminate duplicates Z: 17 55.295 2.464 1.017 0.898 1.000 0.812 CA 1.990 17 residues pruned to eliminate duplicates Z: 13 25.943 2.120 0.549 0.868 1.000 0.833 CB 1.667 13 residues pruned to eliminate duplicates Z: 11 22.780 2.177 0.387 0.913 1.000 1.000 CB 1.688 11 residues pruned to eliminate duplicates Z: 12 14.237 2.212 0.561 0.348 0.909 0.545 CB 1.613 12 residues pruned to eliminate duplicates Z: 11 16.727 2.161 0.058 0.931 1.000 0.900 CB 1.616 11 residues pruned to eliminate duplicates Z: 13 27.122 2.194 0.587 0.923 0.917 0.917 CB 1.725 13 residues pruned to eliminate duplicates Z: 101 64.080 2.261 0.612 0.596 0.940 0.630 CB 1.707 101 residues pruned to eliminate duplicates Z: 18 54.656 2.314 1.146 0.916 1.000 0.941 CA 1.886 18 residues pruned to eliminate duplicates Z: 20 43.455 2.406 0.667 0.852 0.947 0.579 CA 1.940 20 residues pruned to eliminate duplicates Z: 19 32.558 2.249 0.588 0.794 0.944 0.833 CA 1.758 19 residues pruned to eliminate duplicates Z: 13 21.880 2.048 0.466 0.877 1.000 0.917 CB 1.528 15 residues pruned to eliminate duplicates Z: 47 46.717 2.247 0.770 0.609 0.935 0.696 CB 1.670 47 residues pruned to eliminate duplicates Z: 6 4.841 1.888 0.484 0.299 0.800 0.400 CB 1.209 6 residues pruned to eliminate duplicates Z: 18 32.501 2.216 0.640 0.875 0.882 0.765 CB 1.788 18 residues pruned to eliminate duplicates Z: 9 17.180 2.215 0.253 0.885 1.000 0.625 CA 1.581 8 residues pruned to eliminate duplicates Z: 11 21.674 2.170 0.323 0.921 1.000 0.900 CA 1.679 11 residues pruned to eliminate duplicates Z: 13 26.755 2.183 0.628 0.860 0.917 0.833 C 1.743 13 residues pruned to eliminate duplicates Z: 10 23.165 2.339 0.435 0.775 1.000 0.778 CA 1.803 10 residues pruned to eliminate duplicates Z: 25 26.417 2.174 0.450 0.664 0.875 0.667 CB 1.679 25 residues pruned to eliminate duplicates Z: 12 31.542 2.273 0.796 0.875 1.000 0.818 C 1.694 12 residues pruned to eliminate duplicates Z: 12 26.363 2.141 0.574 0.912 1.000 1.000 CB 1.670 12 residues pruned to eliminate duplicates Z: 11 14.518 1.963 0.440 0.792 0.800 0.500 CA 1.572 11 residues pruned to eliminate duplicates Z: 10 29.569 2.234 0.752 0.925 1.000 0.778 CB 1.767 11 residues pruned to eliminate duplicates Z: 29 30.980 2.189 0.716 0.576 0.964 0.607 CB 1.503 29 residues pruned to eliminate duplicates Z: 12 31.104 2.295 0.571 0.905 1.000 0.818 CB 1.851 12 residues pruned to eliminate duplicates Z: 13 21.290 2.081 0.424 0.916 0.917 0.917 CA 1.597 13 residues pruned to eliminate duplicates Z: 12 24.180 2.275 0.180 0.856 1.000 0.818 CB 2.003 12 residues pruned to eliminate duplicates Z: 14 17.777 2.011 0.307 0.815 0.923 0.846 CB 1.545 14 residues pruned to eliminate duplicates Z: 11 14.502 1.952 0.109 0.901 1.000 0.700 CB 1.513 11 residues pruned to eliminate duplicates Z: 10 13.196 2.148 -0.097 0.900 1.000 0.889 CB 1.620 10 residues pruned to eliminate duplicates Z: 14 35.332 2.263 0.674 0.840 1.000 0.846 C 1.930 14 residues pruned to eliminate duplicates Z: 6 9.874 1.979 0.789 0.477 1.000 0.600 CA 1.277 6 residues pruned to eliminate duplicates Z: 72 51.112 2.283 0.465 0.587 0.930 0.577 CB 1.795 72 residues pruned to eliminate duplicates Z: 12 21.208 2.189 0.479 0.902 0.909 0.818 CA 1.549 12 residues pruned to eliminate duplicates Z: 11 20.459 2.030 0.300 0.921 1.000 0.900 C 1.724 11 residues pruned to eliminate duplicates Z: 9 18.094 2.158 0.282 0.857 1.000 0.625 CA 1.704 9 residues pruned to eliminate duplicates Z: 12 30.160 2.330 0.564 0.872 1.000 0.818 CB 1.818 12 residues pruned to eliminate duplicates Z: 13 11.878 2.094 0.566 0.274 0.833 0.500 CB 1.621 13 residues pruned to eliminate duplicates Z: 18 53.018 2.319 1.101 0.926 1.000 0.941 CA 1.851 18 residues pruned to eliminate duplicates Z: 13 16.992 2.208 0.358 0.541 0.917 0.583 CB 1.715 5 residues pruned to eliminate duplicates Z: 9 18.073 2.258 0.274 0.903 1.000 0.625 C 1.583 9 residues pruned to eliminate duplicates Z: 16 36.795 2.326 0.667 0.870 0.933 0.733 CA 1.915 16 residues pruned to eliminate duplicates Z: 58 39.056 2.216 0.525 0.556 0.930 0.702 CB 1.559 58 residues pruned to eliminate duplicates Z: 43 42.082 2.268 0.631 0.623 0.952 0.690 CB 1.642 43 residues pruned to eliminate duplicates Z: 10 14.923 2.051 0.299 0.879 0.778 0.667 CB 1.741 10 residues pruned to eliminate duplicates Z: 14 26.028 2.083 0.751 0.820 0.923 0.538 C 1.624 14 residues pruned to eliminate duplicates Z: 20 41.930 2.309 0.653 0.887 1.000 0.526 CA 1.817 20 residues pruned to eliminate duplicates Z: 13 29.225 2.239 0.826 0.819 0.917 0.750 CB 1.707 13 residues pruned to eliminate duplicates Z: 18 35.024 2.175 0.949 0.873 1.000 0.882 CB 1.460 18 residues pruned to eliminate duplicates Z: 8 17.304 2.299 0.382 0.855 0.857 0.714 CA 1.771 8 residues pruned to eliminate duplicates Z: 13 33.373 2.297 0.673 0.848 1.000 0.917 C 1.860 13 residues pruned to eliminate duplicates Z: 55 46.210 2.281 0.588 0.613 0.944 0.704 CB 1.651 55 residues pruned to eliminate duplicates Z: 26 34.837 2.148 0.453 0.792 1.000 0.640 C 1.728 26 residues pruned to eliminate duplicates Z: 13 26.436 2.105 0.504 0.937 1.000 0.917 CB 1.677 13 residues pruned to eliminate duplicates Z: 13 29.003 2.205 0.828 0.874 0.917 0.667 CB 1.649 13 residues pruned to eliminate duplicates Z: 12 29.971 2.232 0.639 0.918 1.000 0.909 CA 1.742 12 residues pruned to eliminate duplicates Z: 98 72.901 2.313 0.716 0.644 0.918 0.639 CB 1.777 98 residues pruned to eliminate duplicates Z: 13 24.430 2.051 0.552 0.901 1.000 0.750 C 1.581 13 residues pruned to eliminate duplicates Z: 8 13.066 2.115 0.218 0.875 1.000 0.857 CB 1.394 7 residues pruned to eliminate duplicates Z: 13 27.026 2.190 0.480 0.886 1.000 0.833 C 1.736 13 residues pruned to eliminate duplicates Z: 13 24.223 2.015 0.581 0.866 1.000 0.833 C 1.607 13 residues pruned to eliminate duplicates Z: 16 38.523 2.253 0.868 0.931 1.000 0.867 CB 1.652 16 residues pruned to eliminate duplicates Z: 14 23.105 1.956 0.407 0.894 1.000 0.923 CB 1.671 14 residues pruned to eliminate duplicates Z: 6 15.367 2.466 0.128 0.890 1.000 1.000 CA 1.777 6 residues pruned to eliminate duplicates Z: 42 36.689 2.167 0.617 0.654 0.878 0.683 CB 1.615 42 residues pruned to eliminate duplicates Z: 13 25.199 2.168 0.479 0.855 1.000 0.833 C 1.673 13 residues pruned to eliminate duplicates Z: 18 32.228 2.047 0.826 0.913 0.941 0.824 CB 1.573 18 residues pruned to eliminate duplicates Z: 14 24.143 2.004 0.496 0.894 1.000 0.923 CB 1.602 14 residues pruned to eliminate duplicates Z: 21 39.036 2.260 0.668 0.832 0.950 0.800 CB 1.830 21 residues pruned to eliminate duplicates Z: 13 24.577 2.113 0.535 0.879 1.000 0.917 CB 1.586 13 residues pruned to eliminate duplicates Z: 11 26.363 2.028 0.704 0.931 1.000 0.800 CB 1.686 11 residues pruned to eliminate duplicates Z: 12 28.352 2.267 0.452 0.873 1.000 1.000 CB 1.892 12 residues pruned to eliminate duplicates Z: 8 12.715 2.043 0.298 0.860 1.000 0.571 CB 1.332 8 residues pruned to eliminate duplicates Z: 9 13.370 2.269 0.190 0.824 0.875 0.500 CA 1.510 9 residues pruned to eliminate duplicates Z: 35 28.285 2.154 0.563 0.550 0.882 0.706 CB 1.556 35 residues pruned to eliminate duplicates Z: 18 34.497 2.281 0.489 0.892 1.000 0.941 CA 1.769 18 residues pruned to eliminate duplicates Z: 10 13.044 2.147 -0.163 0.916 1.000 0.889 CB 1.709 10 residues pruned to eliminate duplicates Z: 12 32.331 2.391 0.574 0.909 1.000 0.818 CB 1.838 12 residues pruned to eliminate duplicates Z: 11 18.134 1.981 0.265 0.934 1.000 0.900 CB 1.596 11 residues pruned to eliminate duplicates Z: 12 26.510 2.299 0.484 0.897 1.000 0.909 CB 1.678 12 residues pruned to eliminate duplicates Z: 11 21.945 2.078 0.616 0.931 1.000 0.900 CB 1.444 11 residues pruned to eliminate duplicates Z: 13 30.360 2.354 0.404 0.918 1.000 0.917 C 1.870 13 residues pruned to eliminate duplicates Z: 14 29.621 2.040 0.774 0.904 1.000 0.769 CB 1.616 14 residues pruned to eliminate duplicates Z: 12 9.642 2.038 0.527 0.348 0.727 0.636 C 1.515 12 residues pruned to eliminate duplicates Z: 20 41.129 2.284 0.792 0.870 0.947 0.684 CA 1.777 20 residues pruned to eliminate duplicates Z: 11 17.781 2.027 0.281 0.930 1.000 1.000 CB 1.514 11 residues pruned to eliminate duplicates Z: 16 36.936 2.267 0.779 0.943 1.000 0.933 CB 1.639 16 residues pruned to eliminate duplicates Z: 13 16.834 1.852 0.654 0.835 0.917 0.750 CB 1.296 13 residues pruned to eliminate duplicates Z: 18 47.364 2.418 0.848 0.921 0.941 0.765 CA 1.922 18 residues pruned to eliminate duplicates Z: 9 20.477 2.261 0.817 0.660 0.750 0.500 C 2.026 9 residues pruned to eliminate duplicates Z: 19 36.675 2.201 0.778 0.819 0.944 0.833 CB 1.774 19 residues pruned to eliminate duplicates Z: 10 14.981 2.146 0.349 0.788 0.778 0.556 CB 1.722 10 residues pruned to eliminate duplicates Z: 20 32.286 2.246 0.510 0.855 0.895 0.684 CA 1.802 20 residues pruned to eliminate duplicates Z: 18 32.847 2.192 0.564 0.921 1.000 0.765 C 1.635 18 residues pruned to eliminate duplicates Z: 14 20.631 2.007 0.487 0.827 0.923 0.846 CB 1.565 14 residues pruned to eliminate duplicates Z: 17 59.297 2.448 1.130 0.906 1.000 0.938 C 2.022 17 residues pruned to eliminate duplicates Z: 9 27.629 2.187 0.768 0.885 1.000 0.875 CA 1.823 9 residues pruned to eliminate duplicates Z: 20 39.338 2.235 0.607 0.901 1.000 0.842 CB 1.794 20 residues pruned to eliminate duplicates Z: 18 32.105 2.240 0.575 0.876 0.941 0.765 CB 1.704 18 residues pruned to eliminate duplicates Z: 11 16.902 2.000 0.262 0.922 1.000 1.000 CB 1.489 11 residues pruned to eliminate duplicates Z: 56 46.154 2.258 0.628 0.613 0.945 0.727 CB 1.608 56 residues pruned to eliminate duplicates Z: 98 70.990 2.242 0.736 0.676 0.948 0.691 CB 1.660 86 residues pruned to eliminate duplicates Z: 12 15.730 1.952 0.291 0.878 1.000 0.818 CB 1.365 12 residues pruned to eliminate duplicates Z: 13 27.666 2.168 0.552 0.885 1.000 0.833 CB 1.714 13 residues pruned to eliminate duplicates Z: 20 32.280 2.317 0.376 0.848 0.947 0.789 CA 1.819 20 residues pruned to eliminate duplicates Z: 90 52.687 2.289 0.669 0.507 0.899 0.652 CB 1.616 90 residues pruned to eliminate duplicates Z: 15 39.791 2.297 0.781 0.898 1.000 0.857 CA 1.859 15 residues pruned to eliminate duplicates Z: 14 23.768 1.892 0.654 0.880 1.000 0.538 C 1.526 14 residues pruned to eliminate duplicates Z: 14 24.570 1.928 0.676 0.882 1.000 0.769 CB 1.526 14 residues pruned to eliminate duplicates Z: 12 15.920 2.078 0.401 0.916 0.909 0.909 CB 1.280 12 residues pruned to eliminate duplicates Z: 12 13.813 2.007 0.334 0.660 0.818 0.455 C 1.639 12 residues pruned to eliminate duplicates Z: 10 16.153 2.130 0.328 0.823 0.889 0.444 CA 1.618 10 residues pruned to eliminate duplicates Z: 12 27.999 2.135 0.853 0.921 1.000 1.000 CB 1.502 12 residues pruned to eliminate duplicates Z: 19 40.494 2.266 0.636 0.917 1.000 0.833 C 1.817 19 residues pruned to eliminate duplicates Z: 17 29.777 2.162 0.622 0.930 1.000 0.875 CB 1.484 17 residues pruned to eliminate duplicates Z: 15 52.815 2.302 1.223 0.938 1.000 0.786 CA 1.918 15 residues pruned to eliminate duplicates Z: 14 45.133 2.299 1.064 0.938 1.000 0.769 C 1.834 16 residues pruned to eliminate duplicates Z: 186 83.169 2.284 0.674 0.537 0.919 0.632 CB 1.678 186 residues pruned to eliminate duplicates Z: 44 42.514 2.242 0.665 0.615 0.977 0.698 CB 1.596 44 residues pruned to eliminate duplicates Z: 13 17.353 1.991 0.273 0.902 1.000 0.833 CB 1.410 13 residues pruned to eliminate duplicates Z: 11 23.972 2.160 0.362 0.860 1.000 0.900 C 1.895 11 residues pruned to eliminate duplicates Z: 15 17.440 1.846 0.338 0.860 0.929 0.857 CB 1.495 15 residues pruned to eliminate duplicates Z: 17 33.831 2.164 0.775 0.919 1.000 0.938 CB 1.552 17 residues pruned to eliminate duplicates Z: 18 47.066 2.324 0.912 0.889 1.000 0.765 CA 1.850 18 residues pruned to eliminate duplicates Z: 12 24.967 2.211 0.387 0.926 1.000 1.000 CA 1.721 12 residues pruned to eliminate duplicates Z: 18 19.128 2.190 0.653 0.526 0.882 0.588 CB 1.416 18 residues pruned to eliminate duplicates Z: 44 42.596 2.243 0.711 0.615 0.930 0.698 CB 1.632 44 residues pruned to eliminate duplicates Z: 20 30.986 2.188 0.638 0.844 0.842 0.842 C 1.753 20 residues pruned to eliminate duplicates Z: 16 29.286 2.236 0.548 0.923 1.000 0.933 CB 1.534 16 residues pruned to eliminate duplicates Z: 13 30.836 2.178 0.750 0.893 1.000 0.833 CB 1.676 13 residues pruned to eliminate duplicates Z: 9 5.906 1.900 0.232 0.299 0.750 0.375 CA 1.488 9 residues pruned to eliminate duplicates Z: 22 35.607 2.223 0.610 0.802 0.952 0.571 CA 1.751 22 residues pruned to eliminate duplicates Z: 7 5.658 1.918 0.272 0.503 1.000 0.833 CB 0.944 Z: 17 11.476 2.132 0.584 0.283 0.875 0.500 CB 1.241 17 residues pruned to eliminate duplicates Z: 15 49.895 2.296 1.335 0.911 0.929 0.571 CA 1.899 15 residues pruned to eliminate duplicates Z: 16 30.316 2.151 0.586 0.913 1.000 0.867 CB 1.624 16 residues pruned to eliminate duplicates Z: 10 29.624 2.227 0.805 0.840 1.000 0.889 CB 1.834 10 residues pruned to eliminate duplicates Z: 77 53.579 2.241 0.650 0.640 0.908 0.671 CB 1.606 77 residues pruned to eliminate duplicates Z: 18 43.718 2.320 0.824 0.884 1.000 0.882 CA 1.811 18 residues pruned to eliminate duplicates Z: 14 20.504 2.101 0.647 0.791 0.769 0.615 CB 1.656 14 residues pruned to eliminate duplicates Z: 25 38.206 2.218 0.548 0.838 0.958 0.833 CB 1.772 25 residues pruned to eliminate duplicates Z: 62 40.240 2.167 0.549 0.612 0.869 0.656 CB 1.589 62 residues pruned to eliminate duplicates Z: 14 21.623 2.076 0.444 0.825 1.000 0.846 CB 1.510 14 residues pruned to eliminate duplicates Z: 19 34.605 2.335 0.397 0.906 1.000 0.889 CA 1.778 19 residues pruned to eliminate duplicates Z: 14 18.149 2.014 0.178 0.890 1.000 0.769 CB 1.526 14 residues pruned to eliminate duplicates Z: 9 16.695 2.104 0.717 0.756 0.875 0.625 CB 1.487 9 residues pruned to eliminate duplicates Z: 10 10.604 2.141 0.330 0.821 0.667 0.444 CB 1.410 10 residues pruned to eliminate duplicates Z: 11 18.269 2.073 0.375 0.775 1.000 0.600 CA 1.590 11 residues pruned to eliminate duplicates Z: 26 16.527 2.100 0.268 0.460 0.880 0.760 CB 1.469 26 residues pruned to eliminate duplicates Z: 36 46.431 2.246 0.748 0.682 0.971 0.600 CB 1.740 36 residues pruned to eliminate duplicates Z: 86 55.539 2.254 0.692 0.524 0.918 0.588 CB 1.681 86 residues pruned to eliminate duplicates Z: 21 36.614 2.273 0.566 0.820 1.000 0.800 CA 1.742 21 residues pruned to eliminate duplicates Z: 10 20.775 2.201 0.265 0.925 1.000 0.889 CB 1.746 10 residues pruned to eliminate duplicates Z: 14 22.163 2.091 0.470 0.803 1.000 0.769 CB 1.534 14 residues pruned to eliminate duplicates Z: 9 23.149 2.120 0.797 0.852 1.000 1.000 CB 1.590 9 residues pruned to eliminate duplicates Z: 12 10.658 2.147 0.671 0.402 0.727 0.636 CB 1.366 12 residues pruned to eliminate duplicates Z: 8 23.213 2.441 0.526 0.861 1.000 0.714 CA 1.731 8 residues pruned to eliminate duplicates Z: 99 67.479 2.276 0.674 0.651 0.939 0.673 CB 1.657 99 residues pruned to eliminate duplicates Z: 22 24.408 2.042 0.381 0.804 0.857 0.762 CA 1.690 22 residues pruned to eliminate duplicates Z: 20 24.494 2.268 0.366 0.618 0.895 0.579 CA 1.812 20 residues pruned to eliminate duplicates Z: 17 46.734 2.291 1.139 0.892 0.938 0.938 C 1.827 17 residues pruned to eliminate duplicates Z: 12 16.165 2.022 0.271 0.891 1.000 1.000 CB 1.364 12 residues pruned to eliminate duplicates Z: 14 7.657 1.833 0.577 0.264 0.692 0.308 CB 1.389 14 residues pruned to eliminate duplicates Z: 8 15.158 2.436 0.178 0.826 0.857 0.714 CA 1.757 8 residues pruned to eliminate duplicates Z: 14 21.778 1.922 0.460 0.884 1.000 0.846 CB 1.554 14 residues pruned to eliminate duplicates Z: 12 17.526 2.034 0.228 0.888 1.000 1.000 CB 1.524 12 residues pruned to eliminate duplicates Z: 62 45.258 2.214 0.649 0.574 0.951 0.656 CB 1.555 62 residues pruned to eliminate duplicates Z: 9 17.184 2.196 0.292 0.839 1.000 0.625 CA 1.600 9 residues pruned to eliminate duplicates Z: 10 25.840 2.187 0.652 0.921 1.000 0.889 CB 1.678 10 residues pruned to eliminate duplicates Z: 13 22.467 2.069 0.487 0.889 1.000 0.917 CB 1.519 13 residues pruned to eliminate duplicates Z: 94 64.090 2.253 0.626 0.595 0.957 0.667 CB 1.731 94 residues pruned to eliminate duplicates Z: 36 50.506 2.274 0.744 0.714 1.000 0.657 CB 1.774 36 residues pruned to eliminate duplicates Z: 16 27.886 2.027 0.593 0.896 1.000 0.867 C 1.597 15 residues pruned to eliminate duplicates Z: 9 8.774 2.062 0.486 0.378 0.875 0.625 CB 1.317 7 residues pruned to eliminate duplicates Z: 11 21.272 2.052 0.688 0.894 1.000 0.800 CA 1.393 10 residues pruned to eliminate duplicates Z: 55 41.809 2.166 0.605 0.637 0.926 0.778 CB 1.555 55 residues pruned to eliminate duplicates Z: 16 35.421 2.242 0.785 0.921 1.000 1.000 CB 1.607 16 residues pruned to eliminate duplicates Z: 36 30.462 2.182 0.593 0.414 0.971 0.629 CB 1.668 36 residues pruned to eliminate duplicates Z: 20 35.594 2.169 0.619 0.873 1.000 0.579 CB 1.694 20 residues pruned to eliminate duplicates Z: 21 31.247 2.144 0.467 0.900 0.950 0.800 C 1.670 21 residues pruned to eliminate duplicates Z: 120 61.418 2.216 0.612 0.581 0.916 0.639 CB 1.591 132 residues pruned to eliminate duplicates Z: 13 21.310 2.049 0.300 0.915 1.000 1.000 CB 1.633 13 residues pruned to eliminate duplicates Z: 13 31.155 2.173 0.812 0.879 1.000 0.833 CB 1.656 13 residues pruned to eliminate duplicates Z: 15 27.337 2.163 0.529 0.899 1.000 1.000 C 1.579 15 residues pruned to eliminate duplicates Z: 13 24.182 2.124 0.699 0.851 0.917 0.833 CB 1.562 13 residues pruned to eliminate duplicates Z: 17 25.204 2.131 0.436 0.910 1.000 1.000 CB 1.461 17 residues pruned to eliminate duplicates Z: 16 26.763 2.148 0.445 0.917 1.000 0.933 CB 1.571 16 residues pruned to eliminate duplicates Z: 9 6.337 1.848 0.342 0.361 0.875 0.625 CA 1.199 9 residues pruned to eliminate duplicates Z: 98 66.263 2.264 0.686 0.646 0.938 0.680 CB 1.639 98 residues pruned to eliminate duplicates Z: 12 22.853 2.149 0.451 0.909 1.000 1.000 CB 1.568 12 residues pruned to eliminate duplicates Z: 17 30.724 2.156 0.716 0.924 1.000 0.875 CB 1.458 17 residues pruned to eliminate duplicates Z: 40 51.477 2.380 0.770 0.653 0.949 0.667 CB 1.788 40 residues pruned to eliminate duplicates Z: 79 57.969 2.223 0.710 0.613 0.923 0.538 CB 1.681 79 residues pruned to eliminate duplicates Z: 14 20.727 1.974 0.591 0.797 0.923 0.846 CB 1.529 14 residues pruned to eliminate duplicates Z: 13 37.719 2.324 0.863 0.891 1.000 0.917 C 1.808 13 residues pruned to eliminate duplicates Z: 11 31.223 2.147 0.901 0.930 1.000 0.900 CA 1.692 11 residues pruned to eliminate duplicates Z: 14 6.399 2.032 0.225 0.316 0.769 0.538 CB 1.136 14 residues pruned to eliminate duplicates Z: 15 7.613 2.075 0.239 0.411 0.786 0.571 CB 1.105 15 residues pruned to eliminate duplicates Z: 14 26.877 2.124 0.560 0.899 1.000 0.846 CA 1.608 14 residues pruned to eliminate duplicates Z: 14 6.241 1.858 0.298 0.405 0.692 0.462 CB 1.145 13 residues pruned to eliminate duplicates Z: 12 30.012 2.395 0.420 0.941 1.000 1.000 C 1.847 12 residues pruned to eliminate duplicates Z: 11 29.571 2.099 0.860 0.921 1.000 0.700 CA 1.685 11 residues pruned to eliminate duplicates Z: 11 30.009 2.142 0.854 0.914 1.000 0.800 CA 1.691 11 residues pruned to eliminate duplicates Z: 37 45.649 2.182 0.830 0.656 0.972 0.639 CB 1.695 37 residues pruned to eliminate duplicates Z: 10 13.755 1.944 0.742 0.511 0.889 0.778 CB 1.506 10 residues pruned to eliminate duplicates Z: 50 45.894 2.333 0.767 0.537 0.939 0.571 CB 1.633 50 residues pruned to eliminate duplicates Z: 12 14.353 2.108 0.594 0.416 0.818 0.727 CB 1.719 12 residues pruned to eliminate duplicates Z: 18 23.134 2.066 0.514 0.926 0.941 0.941 CB 1.336 18 residues pruned to eliminate duplicates Z: 94 61.443 2.336 0.526 0.612 0.892 0.624 CB 1.800 94 residues pruned to eliminate duplicates Z: 38 31.175 2.245 0.456 0.561 0.892 0.703 CB 1.656 38 residues pruned to eliminate duplicates Z: 13 18.069 2.009 0.379 0.903 1.000 0.917 CB 1.342 13 residues pruned to eliminate duplicates Z: 9 19.464 2.141 0.419 0.911 1.000 0.625 CB 1.606 9 residues pruned to eliminate duplicates Z: 7 19.359 2.300 0.337 0.846 1.000 0.667 C 1.909 7 residues pruned to eliminate duplicates Z: 17 15.065 2.073 0.122 0.629 1.000 0.938 CB 1.434 11 residues pruned to eliminate duplicates Z: 78 54.323 2.328 0.636 0.534 0.935 0.675 CB 1.682 78 residues pruned to eliminate duplicates Z: 11 13.042 2.008 -0.022 0.905 1.000 0.900 CB 1.494 11 residues pruned to eliminate duplicates Z: 17 29.913 2.159 0.560 0.916 1.000 0.875 CB 1.568 17 residues pruned to eliminate duplicates Z: 13 25.661 2.099 0.595 0.833 0.917 0.667 CA 1.811 13 residues pruned to eliminate duplicates Z: 17 28.021 2.139 0.580 0.933 1.000 0.938 CB 1.447 17 residues pruned to eliminate duplicates Z: 14 21.976 1.999 0.500 0.927 1.000 0.923 CA 1.425 14 residues pruned to eliminate duplicates Z: 9 10.191 1.997 0.229 0.577 0.875 0.875 CB 1.557 9 residues pruned to eliminate duplicates Z: 13 20.023 2.081 0.387 0.890 1.000 0.750 CB 1.440 13 residues pruned to eliminate duplicates Z: 9 15.791 2.011 0.502 0.892 1.000 1.000 CB 1.329 9 residues pruned to eliminate duplicates Z: 19 26.153 2.210 0.463 0.618 1.000 0.833 CB 1.706 19 residues pruned to eliminate duplicates Z: 10 14.246 2.122 0.123 0.922 1.000 1.000 CB 1.402 10 residues pruned to eliminate duplicates Z: 11 30.121 2.313 0.631 0.926 1.000 0.900 C 1.771 11 residues pruned to eliminate duplicates Z: 16 19.568 2.135 0.541 0.556 0.933 0.600 CA 1.558 16 residues pruned to eliminate duplicates Z: 13 28.406 2.110 0.897 0.899 0.917 0.667 CA 1.597 13 residues pruned to eliminate duplicates Z: 9 12.107 2.059 0.320 0.565 0.875 0.875 CB 1.689 9 residues pruned to eliminate duplicates Z: 15 17.916 1.926 0.431 0.800 0.929 0.643 CB 1.439 15 residues pruned to eliminate duplicates Z: 86 53.437 2.296 0.659 0.516 0.906 0.624 CB 1.653 86 residues pruned to eliminate duplicates Z: 15 24.359 1.932 0.579 0.895 1.000 0.786 C 1.530 15 residues pruned to eliminate duplicates Z: 76 60.119 2.282 0.658 0.652 0.947 0.627 CB 1.682 76 residues pruned to eliminate duplicates Z: 37 20.651 2.096 0.478 0.483 0.833 0.611 CB 1.356 37 residues pruned to eliminate duplicates Z: 15 23.126 1.891 0.527 0.891 1.000 0.857 C 1.539 Z: 8 17.242 2.235 0.392 0.898 1.000 0.286 CA 1.498 8 residues pruned to eliminate duplicates Z: 13 37.393 2.335 0.834 0.896 1.000 0.917 CB 1.806 13 residues pruned to eliminate duplicates Z: 12 24.032 2.190 0.436 0.923 1.000 1.000 C 1.618 12 residues pruned to eliminate duplicates Z: 7 15.261 2.146 0.356 0.904 1.000 0.833 CB 1.525 7 residues pruned to eliminate duplicates Z: 38 33.064 2.220 0.653 0.525 0.892 0.649 CB 1.619 38 residues pruned to eliminate duplicates Z: 14 14.118 1.782 0.965 0.441 0.923 0.615 CB 1.287 14 residues pruned to eliminate duplicates Z: 102 61.684 2.267 0.563 0.575 0.941 0.594 CB 1.713 102 residues pruned to eliminate duplicates Z: 9 26.030 2.124 0.939 0.844 1.000 0.250 CA 1.662 9 residues pruned to eliminate duplicates Z: 27 23.161 2.158 0.727 0.533 0.769 0.577 CB 1.534 27 residues pruned to eliminate duplicates Z: 20 37.202 2.228 0.601 0.858 1.000 0.789 CB 1.763 20 residues pruned to eliminate duplicates Z: 6 6.976 1.776 0.471 0.801 1.000 0.200 CB 0.917 Z: 31 39.163 2.208 0.944 0.613 0.967 0.567 CB 1.548 31 residues pruned to eliminate duplicates Z: 18 20.555 2.191 0.413 0.730 0.941 0.941 CB 1.391 18 residues pruned to eliminate duplicates Z: 30 30.455 2.263 0.680 0.589 0.897 0.690 CB 1.523 30 residues pruned to eliminate duplicates Z: 17 28.413 2.149 0.569 0.920 1.000 0.875 CB 1.483 17 residues pruned to eliminate duplicates Z: 7 4.379 1.978 0.105 0.325 0.833 0.500 CB 1.189 7 residues pruned to eliminate duplicates Z: 8 20.503 2.286 0.317 0.895 1.000 1.000 CA 1.846 8 residues pruned to eliminate duplicates Z: 57 44.562 2.283 0.476 0.534 0.964 0.607 CB 1.771 57 residues pruned to eliminate duplicates Z: 14 26.944 1.998 0.617 0.897 1.000 0.923 CB 1.656 14 residues pruned to eliminate duplicates Z: 49 49.604 2.274 0.641 0.638 0.938 0.667 CB 1.798 49 residues pruned to eliminate duplicates Z: 19 26.644 2.106 0.690 0.644 0.944 0.611 CB 1.633 19 residues pruned to eliminate duplicates Z: 41 33.302 2.150 0.652 0.608 0.900 0.625 CB 1.487 41 residues pruned to eliminate duplicates Z: 11 14.264 1.887 0.270 0.906 0.900 0.600 CA 1.488 11 residues pruned to eliminate duplicates Z: 8 18.073 2.266 0.312 0.858 1.000 0.857 CA 1.691 8 residues pruned to eliminate duplicates Z: 15 19.022 2.332 0.452 0.467 0.929 0.500 CB 1.671 15 residues pruned to eliminate duplicates Z: 45 40.194 2.202 0.649 0.628 0.955 0.659 CB 1.551 45 residues pruned to eliminate duplicates Z: 13 23.793 1.964 0.856 0.867 1.000 0.667 CB 1.378 13 residues pruned to eliminate duplicates Z: 11 30.085 2.413 0.597 0.809 1.000 1.000 C 1.887 11 residues pruned to eliminate duplicates Z: 17 25.258 2.094 0.422 0.891 1.000 0.812 CB 1.525 17 residues pruned to eliminate duplicates Z: 14 9.604 1.999 0.468 0.495 0.923 0.615 CB 0.988 10 residues pruned to eliminate duplicates Z: 60 36.566 2.164 0.583 0.532 0.932 0.627 CB 1.443 60 residues pruned to eliminate duplicates Z: 13 26.076 2.107 0.760 0.881 1.000 0.667 CB 1.470 13 residues pruned to eliminate duplicates Z: 33 36.429 2.159 0.778 0.592 0.906 0.625 CB 1.696 33 residues pruned to eliminate duplicates Z: 94 55.077 2.220 0.694 0.596 0.903 0.656 CB 1.534 92 residues pruned to eliminate duplicates Z: 8 16.421 2.045 0.561 0.895 1.000 0.857 CB 1.394 8 residues pruned to eliminate duplicates Z: 9 14.164 2.019 0.631 0.866 1.000 0.750 CB 1.113 9 residues pruned to eliminate duplicates Z: 13 30.648 2.244 0.619 0.922 1.000 1.000 CB 1.713 13 residues pruned to eliminate duplicates Z: 98 67.833 2.276 0.681 0.674 0.938 0.701 CB 1.635 98 residues pruned to eliminate duplicates Z: 11 13.218 1.888 0.460 0.749 0.900 0.600 CA 1.348 11 residues pruned to eliminate duplicates Z: 20 38.740 2.278 0.613 0.859 1.000 0.737 CA 1.781 20 residues pruned to eliminate duplicates Z: 53 41.043 2.188 0.623 0.645 0.904 0.635 CB 1.549 53 residues pruned to eliminate duplicates Z: 44 42.901 2.227 0.657 0.623 0.977 0.698 CB 1.616 44 residues pruned to eliminate duplicates Z: 11 13.595 1.986 0.166 0.781 1.000 0.800 CA 1.449 11 residues pruned to eliminate duplicates Z: 14 14.870 1.921 0.378 0.873 1.000 0.769 CB 1.135 14 residues pruned to eliminate duplicates Z: 11 16.305 2.218 0.642 0.434 1.000 0.700 CB 1.515 11 residues pruned to eliminate duplicates Z: 12 14.038 2.138 -0.007 0.924 1.000 0.818 CB 1.400 12 residues pruned to eliminate duplicates Z: 10 14.125 1.776 0.718 0.881 1.000 0.778 CB 1.117 10 residues pruned to eliminate duplicates Z: 9 10.946 1.952 0.164 0.818 1.000 0.625 CB 1.292 9 residues pruned to eliminate duplicates Z: 19 10.015 1.852 0.394 0.326 0.833 0.444 CB 1.328 19 residues pruned to eliminate duplicates Z: 14 16.978 1.871 0.216 0.857 1.000 0.923 CB 1.525 14 residues pruned to eliminate duplicates Z: 11 17.881 2.279 0.470 0.456 1.000 0.700 CB 1.765 11 residues pruned to eliminate duplicates Z: 8 18.186 2.112 0.824 0.582 1.000 0.571 C 1.650 8 residues pruned to eliminate duplicates Z: 18 44.925 2.247 0.956 0.923 1.000 0.706 C 1.742 18 residues pruned to eliminate duplicates Z: 13 9.498 2.093 0.281 0.397 0.833 0.583 CB 1.368 14 residues pruned to eliminate duplicates Z: 22 32.866 2.171 0.689 0.815 0.905 0.571 C 1.644 22 residues pruned to eliminate duplicates Z: 27 21.348 2.024 0.545 0.535 0.846 0.692 CB 1.529 27 residues pruned to eliminate duplicates Z: 135 84.095 2.297 0.764 0.645 0.925 0.627 CB 1.691 136 residues pruned to eliminate duplicates Z: 16 40.277 2.179 0.923 0.888 1.000 0.800 CA 1.788 16 residues pruned to eliminate duplicates Z: 28 18.972 2.095 0.460 0.436 0.926 0.519 CB 1.377 28 residues pruned to eliminate duplicates Z: 13 24.479 2.130 0.602 0.847 0.917 0.667 C 1.677 13 residues pruned to eliminate duplicates Z: 13 27.712 2.049 0.675 0.896 1.000 0.667 CB 1.669 14 residues pruned to eliminate duplicates Z: 104 60.266 2.288 0.579 0.567 0.922 0.592 CB 1.670 104 residues pruned to eliminate duplicates Z: 6 8.139 1.661 0.399 0.722 1.000 0.600 CB 1.282 Z: 34 30.932 2.275 0.760 0.404 0.939 0.667 CB 1.583 34 residues pruned to eliminate duplicates Z: 15 9.837 2.062 0.577 0.416 0.857 0.714 CB 1.030 15 residues pruned to eliminate duplicates Z: 24 20.669 2.235 0.403 0.438 0.870 0.609 CB 1.686 24 residues pruned to eliminate duplicates Z: 16 32.942 2.155 0.821 0.925 1.000 0.800 CB 1.521 16 residues pruned to eliminate duplicates Z: 26 18.725 1.994 0.331 0.599 0.880 0.800 CB 1.460 26 residues pruned to eliminate duplicates Z: 9 13.517 2.198 0.843 0.380 0.875 0.750 CB 1.533 9 residues pruned to eliminate duplicates Z: 10 4.913 1.989 0.132 0.334 0.778 0.444 CB 1.122 10 residues pruned to eliminate duplicates Z: 9 11.598 1.781 0.774 0.891 1.000 0.750 CB 0.932 9 residues pruned to eliminate duplicates Z: 7 6.407 1.438 0.991 0.362 1.000 0.500 CA 1.060 7 residues pruned to eliminate duplicates Z: 47 54.828 2.386 0.621 0.670 0.957 0.630 CA 1.869 47 residues pruned to eliminate duplicates Z: 17 24.960 2.065 0.766 0.784 0.875 0.500 CA 1.524 17 residues pruned to eliminate duplicates Z: 14 22.652 2.173 0.276 0.793 1.000 0.538 CA 1.752 14 residues pruned to eliminate duplicates Z: 8 13.018 2.004 0.322 0.793 0.857 0.714 CB 1.675 8 residues pruned to eliminate duplicates Z: 10 13.066 1.958 0.165 0.863 1.000 0.889 CA 1.401 10 residues pruned to eliminate duplicates Z: 13 7.891 1.926 0.350 0.343 0.833 0.583 CB 1.247 13 residues pruned to eliminate duplicates Z: 11 19.981 2.115 0.434 0.881 1.000 0.800 CB 1.509 11 residues pruned to eliminate duplicates Z: 14 41.968 2.272 1.009 0.929 1.000 0.769 C 1.784 27 residues pruned to eliminate duplicates Z: 28 29.943 2.274 0.573 0.511 0.963 0.593 CB 1.655 28 residues pruned to eliminate duplicates Z: 18 27.394 2.057 0.606 0.919 1.000 0.882 CB 1.417 18 residues pruned to eliminate duplicates Z: 16 11.897 2.124 0.673 0.309 0.800 0.533 CB 1.335 16 residues pruned to eliminate duplicates Z: 84 75.831 2.368 0.733 0.673 0.940 0.651 CB 1.840 83 residues pruned to eliminate duplicates Z: 62 43.334 2.215 0.570 0.568 0.951 0.689 CB 1.570 62 residues pruned to eliminate duplicates Z: 9 13.940 2.086 0.178 0.828 1.000 0.875 CB 1.510 9 residues pruned to eliminate duplicates Z: 39 42.461 2.261 0.594 0.714 0.947 0.789 CB 1.662 39 residues pruned to eliminate duplicates Z: 20 40.582 2.151 0.835 0.892 1.000 0.684 C 1.694 20 residues pruned to eliminate duplicates Z: 22 35.606 2.176 0.562 0.837 0.952 0.667 C 1.796 22 residues pruned to eliminate duplicates Z: 6 10.372 1.947 0.838 0.530 1.000 0.800 CB 1.258 6 residues pruned to eliminate duplicates Z: 15 5.517 1.771 0.124 0.281 0.929 0.429 CB 1.021 15 residues pruned to eliminate duplicates Z: 10 21.527 2.046 0.959 0.868 0.889 0.889 CB 1.472 10 residues pruned to eliminate duplicates Z: 12 19.053 2.049 0.508 0.819 0.909 0.636 CA 1.550 12 residues pruned to eliminate duplicates Z: 14 21.309 2.027 0.598 0.902 0.923 0.923 CB 1.410 14 residues pruned to eliminate duplicates Z: 10 9.349 2.061 -0.007 0.801 0.778 0.444 C 1.505 10 residues pruned to eliminate duplicates Z: 7 2.850 1.384 0.017 0.509 0.833 0.333 CA 0.983 Z: 86 59.642 2.237 0.708 0.636 0.894 0.612 CB 1.667 86 residues pruned to eliminate duplicates Z: 66 53.054 2.238 0.671 0.606 0.954 0.554 CB 1.667 66 residues pruned to eliminate duplicates Z: 36 23.194 2.087 0.421 0.424 0.943 0.600 CB 1.517 36 residues pruned to eliminate duplicates Z: 13 33.928 2.259 0.798 0.912 1.000 0.917 CB 1.708 13 residues pruned to eliminate duplicates Z: 10 11.330 2.016 0.338 0.594 0.889 0.889 CA 1.440 10 residues pruned to eliminate duplicates Z: 23 35.781 2.168 0.653 0.847 0.909 0.682 C 1.738 23 residues pruned to eliminate duplicates Z: 30 35.447 2.185 0.855 0.628 0.897 0.655 CB 1.606 30 residues pruned to eliminate duplicates Z: 6 3.597 1.762 0.085 0.331 0.800 0.600 CB 1.267 Z: 13 18.083 2.012 0.294 0.887 1.000 1.000 CB 1.446 13 residues pruned to eliminate duplicates Z: 16 33.165 2.174 0.784 0.922 1.000 1.000 CB 1.552 16 residues pruned to eliminate duplicates Z: 103 60.067 2.282 0.546 0.601 0.912 0.627 CB 1.680 103 residues pruned to eliminate duplicates Z: 60 58.929 2.325 0.743 0.644 0.949 0.627 CB 1.743 60 residues pruned to eliminate duplicates Z: 8 29.808 2.522 1.116 0.769 0.857 0.857 CA 1.941 8 residues pruned to eliminate duplicates Z: 59 54.290 2.260 0.676 0.656 0.948 0.724 CB 1.717 59 residues pruned to eliminate duplicates Z: 7 16.766 2.057 0.490 0.846 1.000 1.000 CA 1.659 7 residues pruned to eliminate duplicates Z: 51 56.052 2.326 0.677 0.653 0.960 0.600 CB 1.835 51 residues pruned to eliminate duplicates Z: 10 21.214 2.243 0.430 0.745 1.000 0.444 CA 1.771 10 residues pruned to eliminate duplicates Z: 9 17.270 2.046 0.881 0.699 0.875 0.375 CB 1.512 9 residues pruned to eliminate duplicates Z: 7 6.912 1.711 0.660 0.574 0.833 0.667 CB 1.110 6 residues pruned to eliminate duplicates Z: 11 12.762 1.835 0.416 0.859 0.800 0.800 CB 1.428 11 residues pruned to eliminate duplicates Z: 18 51.981 2.368 0.986 0.911 1.000 0.941 CA 1.900 18 residues pruned to eliminate duplicates Z: 23 36.144 2.170 0.985 0.650 0.909 0.636 CB 1.711 23 residues pruned to eliminate duplicates Z: 25 17.763 2.047 0.427 0.420 0.875 0.667 CB 1.542 25 residues pruned to eliminate duplicates Z: 19 34.618 2.290 0.640 0.687 1.000 0.722 CA 1.829 19 residues pruned to eliminate duplicates Z: 13 23.014 2.100 0.389 0.880 1.000 0.917 CB 1.650 13 residues pruned to eliminate duplicates Z: 95 68.189 2.308 0.618 0.614 0.957 0.628 CB 1.765 95 residues pruned to eliminate duplicates Z: 10 8.148 1.891 0.609 0.434 1.000 0.556 CB 0.955 10 residues pruned to eliminate duplicates Z: 8 4.174 1.644 0.601 0.357 0.714 0.429 C 0.979 8 residues pruned to eliminate duplicates Z: 16 46.784 2.151 1.297 0.905 1.000 0.667 CA 1.740 16 residues pruned to eliminate duplicates Z: 48 47.281 2.257 0.844 0.589 0.915 0.617 CB 1.663 48 residues pruned to eliminate duplicates Z: 63 44.700 2.235 0.722 0.527 0.919 0.613 CB 1.563 63 residues pruned to eliminate duplicates Z: 16 51.755 2.151 1.446 0.918 1.000 0.467 C 1.792 16 residues pruned to eliminate duplicates Z: 9 12.392 1.983 0.646 0.765 0.750 0.625 CB 1.414 9 residues pruned to eliminate duplicates Z: 14 17.597 2.161 0.755 0.503 0.846 0.615 CB 1.517 14 residues pruned to eliminate duplicates Z: 18 39.103 2.072 1.026 0.921 1.000 0.882 C 1.590 18 residues pruned to eliminate duplicates Z: 77 49.710 2.225 0.567 0.625 0.908 0.711 CB 1.601 77 residues pruned to eliminate duplicates Z: 17 38.601 2.226 1.057 0.894 1.000 0.562 CB 1.512 17 residues pruned to eliminate duplicates Z: 13 27.440 2.116 0.847 0.865 1.000 0.417 CB 1.486 13 residues pruned to eliminate duplicates Z: 24 35.454 2.165 1.071 0.561 0.913 0.609 CA 1.702 24 residues pruned to eliminate duplicates Z: 12 19.891 2.076 0.500 0.909 1.000 0.909 CB 1.366 12 residues pruned to eliminate duplicates Z: 50 52.445 2.295 0.818 0.638 0.898 0.612 CB 1.757 50 residues pruned to eliminate duplicates Z: 13 16.146 1.896 0.312 0.892 0.917 0.917 CB 1.469 13 residues pruned to eliminate duplicates Z: 7 2.635 1.518 0.276 0.240 0.667 0.500 CB 1.127 Z: 33 27.732 2.227 0.545 0.523 0.875 0.469 CB 1.591 33 residues pruned to eliminate duplicates Z: 10 16.692 2.161 0.266 0.848 1.000 0.889 CA 1.510 10 residues pruned to eliminate duplicates Z: 11 23.020 1.997 0.694 0.870 1.000 0.800 CA 1.571 11 residues pruned to eliminate duplicates Z: 37 54.445 2.340 0.876 0.654 0.972 0.611 CB 1.842 37 residues pruned to eliminate duplicates Z: 16 19.106 2.130 0.247 0.717 0.933 0.867 CB 1.635 16 residues pruned to eliminate duplicates Z: 16 34.920 2.221 0.841 0.925 1.000 0.933 CB 1.548 16 residues pruned to eliminate duplicates Z: 8 8.005 1.761 0.276 0.629 0.857 0.857 C 1.392 8 residues pruned to eliminate duplicates Z: 27 44.146 2.299 1.151 0.579 0.923 0.654 CB 1.758 27 residues pruned to eliminate duplicates Z: 45 47.486 2.285 0.693 0.616 0.955 0.682 CB 1.738 45 residues pruned to eliminate duplicates Z: 6 19.477 2.340 0.721 0.802 1.000 1.000 CB 1.660 6 residues pruned to eliminate duplicates Z: 15 27.720 1.975 0.845 0.868 1.000 0.857 CA 1.486 15 residues pruned to eliminate duplicates Z: 19 44.470 2.305 0.889 0.845 0.944 0.778 CA 1.896 19 residues pruned to eliminate duplicates Z: 7 10.073 1.993 0.220 0.855 0.833 0.833 CA 1.497 7 residues pruned to eliminate duplicates Z: 6 3.706 1.598 0.374 0.669 0.800 0.800 CB 0.807 6 residues pruned to eliminate duplicates Z: 49 39.188 2.225 0.437 0.648 0.938 0.604 CB 1.645 49 residues pruned to eliminate duplicates Z: 11 17.171 2.062 0.337 0.885 1.000 0.800 CB 1.423 11 residues pruned to eliminate duplicates Z: 75 58.468 2.289 0.621 0.643 0.905 0.649 CB 1.772 75 residues pruned to eliminate duplicates Z: 40 43.960 2.288 0.775 0.569 0.923 0.667 CB 1.758 40 residues pruned to eliminate duplicates Z: 80 46.626 2.273 0.638 0.486 0.899 0.570 CB 1.590 80 residues pruned to eliminate duplicates Z: 9 21.582 2.372 0.576 0.854 1.000 0.875 CA 1.508 10 residues pruned to eliminate duplicates Z: 76 59.473 2.196 0.832 0.584 0.907 0.640 CB 1.736 76 residues pruned to eliminate duplicates Z: 39 40.826 2.300 0.529 0.616 0.921 0.632 CA 1.832 39 residues pruned to eliminate duplicates Z: 12 23.800 2.280 0.506 0.686 1.000 0.727 CB 1.762 12 residues pruned to eliminate duplicates Z: 53 49.896 2.354 0.479 0.648 0.923 0.654 CA 1.877 53 residues pruned to eliminate duplicates Z: 15 29.509 2.161 0.474 0.901 1.000 0.929 C 1.767 15 residues pruned to eliminate duplicates Z: 16 18.949 2.111 0.834 0.418 0.867 0.667 CB 1.588 16 residues pruned to eliminate duplicates Z: 9 18.797 2.169 0.738 0.658 1.000 0.750 C 1.522 9 residues pruned to eliminate duplicates Z: 6 6.643 1.868 0.301 0.626 1.000 0.800 CA 1.085 5 residues pruned to eliminate duplicates Z: 34 33.800 2.197 0.607 0.576 0.909 0.667 CB 1.705 34 residues pruned to eliminate duplicates Z: 14 23.905 2.003 0.517 0.845 1.000 0.769 CB 1.623 14 residues pruned to eliminate duplicates Z: 51 31.793 2.084 0.532 0.631 0.900 0.660 CB 1.384 65 residues pruned to eliminate duplicates Z: 6 4.897 1.488 0.630 0.318 1.000 0.800 CA 1.105 6 residues pruned to eliminate duplicates Z: 7 2.548 1.399 0.615 0.342 0.500 0.333 C 1.094 7 residues pruned to eliminate duplicates Z: 11 15.979 2.057 0.323 0.914 1.000 0.800 CB 1.313 11 residues pruned to eliminate duplicates Z: 13 9.289 1.954 0.197 0.342 1.000 0.667 CB 1.363 11 residues pruned to eliminate duplicates Z: 17 22.710 2.084 0.404 0.612 1.000 0.688 CA 1.744 17 residues pruned to eliminate duplicates Z: 7 7.535 1.798 0.564 0.639 1.000 0.833 CB 0.960 7 residues pruned to eliminate duplicates Z: 12 27.237 2.235 0.499 0.909 1.000 0.909 CA 1.739 12 residues pruned to eliminate duplicates Z: 37 29.768 2.188 0.473 0.534 0.917 0.639 CB 1.625 37 residues pruned to eliminate duplicates Z: 13 32.309 2.167 0.850 0.892 1.000 0.917 CB 1.671 13 residues pruned to eliminate duplicates Z: 51 44.214 2.282 0.528 0.594 0.920 0.680 CB 1.782 51 residues pruned to eliminate duplicates Z: 14 17.774 2.257 0.646 0.416 0.846 0.692 CB 1.713 14 residues pruned to eliminate duplicates Z: 84 54.268 2.243 0.537 0.641 0.928 0.663 CB 1.632 84 residues pruned to eliminate duplicates Z: 30 22.466 2.066 0.508 0.539 0.897 0.621 CB 1.438 30 residues pruned to eliminate duplicates Z: 57 48.158 2.358 0.663 0.577 0.929 0.661 CB 1.640 57 residues pruned to eliminate duplicates Z: 29 34.685 2.175 0.785 0.639 0.929 0.643 CB 1.596 29 residues pruned to eliminate duplicates Z: 8 3.480 1.925 0.046 0.476 0.857 0.429 CB 0.781 8 residues pruned to eliminate duplicates Z: 94 54.009 2.228 0.670 0.534 0.935 0.645 CB 1.557 94 residues pruned to eliminate duplicates Z: 14 38.727 2.183 0.929 0.940 1.000 0.769 CB 1.771 14 residues pruned to eliminate duplicates Z: 73 47.186 2.223 0.536 0.600 0.944 0.722 CB 1.568 56 residues pruned to eliminate duplicates Z: 15 12.020 1.901 0.510 0.472 1.000 0.571 CB 1.152 15 residues pruned to eliminate duplicates Z: 29 24.519 2.108 0.928 0.403 0.929 0.536 CB 1.360 29 residues pruned to eliminate duplicates Z: 6 5.205 1.686 0.739 0.424 0.800 0.800 C 1.074 6 residues pruned to eliminate duplicates Z: 10 15.170 1.889 0.364 0.897 1.000 1.000 CB 1.404 10 residues pruned to eliminate duplicates Z: 42 46.940 2.327 0.760 0.596 0.927 0.610 CB 1.762 42 residues pruned to eliminate duplicates Z: 23 36.466 2.289 0.816 0.561 0.955 0.727 CB 1.846 23 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 10.046 2.198 0.414 0.395 0.833 0.500 CB 1.251 13 residues pruned to eliminate duplicates Z: 6 5.305 1.615 0.727 0.378 1.000 0.600 CA 0.969 6 residues pruned to eliminate duplicates Z: 9 10.764 2.212 0.242 0.485 1.000 0.625 CB 1.406 9 residues pruned to eliminate duplicates Z: 15 19.479 2.094 0.410 0.757 1.000 0.643 CB 1.403 15 residues pruned to eliminate duplicates Z: 59 38.199 2.216 0.546 0.523 0.948 0.707 CB 1.509 59 residues pruned to eliminate duplicates Z: 46 45.349 2.290 0.670 0.618 0.978 0.733 CB 1.618 46 residues pruned to eliminate duplicates Z: 58 38.984 2.225 0.525 0.580 0.947 0.702 CB 1.488 58 residues pruned to eliminate duplicates Z: 60 38.875 2.202 0.451 0.553 0.949 0.644 CB 1.584 60 residues pruned to eliminate duplicates Z: 74 45.969 2.212 0.492 0.608 0.945 0.740 CB 1.556 74 residues pruned to eliminate duplicates Z: 45 45.264 2.269 0.680 0.624 0.977 0.705 CB 1.630 45 residues pruned to eliminate duplicates Z: 45 49.591 2.278 0.786 0.629 0.977 0.750 CB 1.665 45 residues pruned to eliminate duplicates Z: 55 51.757 2.281 0.700 0.625 0.963 0.759 CB 1.676 55 residues pruned to eliminate duplicates Z: 59 41.688 2.214 0.541 0.567 0.948 0.776 CB 1.586 59 residues pruned to eliminate duplicates Z: 45 44.475 2.249 0.638 0.600 1.000 0.636 CB 1.653 45 residues pruned to eliminate duplicates Z: 56 47.478 2.244 0.629 0.608 0.982 0.764 CB 1.610 56 residues pruned to eliminate duplicates Z: 30 29.114 2.258 0.615 0.564 0.897 0.586 CB 1.553 30 residues pruned to eliminate duplicates Z: 55 46.201 2.257 0.540 0.636 0.981 0.722 CB 1.622 55 residues pruned to eliminate duplicates Z: 47 38.926 2.226 0.581 0.583 0.957 0.674 CB 1.574 47 residues pruned to eliminate duplicates Z: 29 32.306 2.277 0.557 0.574 1.000 0.571 CB 1.603 29 residues pruned to eliminate duplicates Z: 29 32.016 2.249 0.613 0.560 1.000 0.607 CB 1.575 29 residues pruned to eliminate duplicates Z: 74 47.362 2.214 0.537 0.590 0.945 0.726 CB 1.581 74 residues pruned to eliminate duplicates Z: 6 7.421 2.016 0.367 0.374 1.000 0.600 CB 1.379 6 residues pruned to eliminate duplicates Z: 28 31.448 2.246 0.599 0.596 0.963 0.704 CB 1.596 28 residues pruned to eliminate duplicates Z: 74 44.338 2.224 0.420 0.597 0.945 0.740 CB 1.585 74 residues pruned to eliminate duplicates Z: 58 41.036 2.236 0.515 0.590 0.930 0.667 CB 1.583 58 residues pruned to eliminate duplicates Z: 57 41.703 2.242 0.692 0.548 0.911 0.696 CB 1.539 57 residues pruned to eliminate duplicates Z: 46 47.086 2.283 0.659 0.599 1.000 0.733 CB 1.686 46 residues pruned to eliminate duplicates Z: 46 43.915 2.263 0.625 0.579 1.000 0.756 CB 1.651 46 residues pruned to eliminate duplicates Z: 57 43.596 2.232 0.557 0.592 0.946 0.679 CB 1.622 57 residues pruned to eliminate duplicates Z: 46 44.825 2.280 0.587 0.607 1.000 0.756 CB 1.669 46 residues pruned to eliminate duplicates Z: 56 43.858 2.221 0.521 0.598 0.982 0.745 CB 1.624 56 residues pruned to eliminate duplicates Z: 57 51.508 2.251 0.707 0.609 0.982 0.732 CB 1.645 57 residues pruned to eliminate duplicates Z: 46 47.280 2.262 0.719 0.624 1.000 0.644 CB 1.612 46 residues pruned to eliminate duplicates Z: 46 48.496 2.303 0.683 0.622 0.978 0.689 CB 1.700 46 residues pruned to eliminate duplicates Z: 51 41.649 2.196 0.652 0.574 0.960 0.680 CB 1.575 51 residues pruned to eliminate duplicates Z: 55 52.705 2.276 0.749 0.615 0.981 0.704 CB 1.646 55 residues pruned to eliminate duplicates Z: 57 45.610 2.247 0.637 0.587 0.946 0.750 CB 1.611 57 residues pruned to eliminate duplicates Z: 74 45.692 2.168 0.524 0.586 0.973 0.740 CB 1.532 19 residues pruned to eliminate duplicates Z: 13 30.724 2.246 0.957 0.738 0.917 0.833 CB 1.778 13 residues pruned to eliminate duplicates Z: 74 46.626 2.200 0.545 0.586 0.945 0.712 CB 1.564 74 residues pruned to eliminate duplicates Z: 43 39.733 2.188 0.719 0.567 0.952 0.619 CB 1.604 43 residues pruned to eliminate duplicates Z: 56 45.549 2.249 0.695 0.606 0.909 0.745 CB 1.602 56 residues pruned to eliminate duplicates Z: 57 47.321 2.242 0.701 0.586 0.946 0.679 CB 1.613 57 residues pruned to eliminate duplicates Z: 55 47.305 2.268 0.614 0.618 0.963 0.667 CB 1.634 55 residues pruned to eliminate duplicates Z: 6 7.855 1.931 0.411 0.492 1.000 0.800 CB 1.299 Z: 6 4.137 2.049 0.087 0.462 0.800 0.800 CB 1.080 Z: 10 13.927 2.174 0.159 0.650 1.000 0.889 CB 1.601 10 residues pruned to eliminate duplicates Z: 12 15.377 2.123 0.548 0.597 0.909 0.636 CB 1.414 12 residues pruned to eliminate duplicates Z: 54 43.948 2.229 0.662 0.595 0.906 0.642 CB 1.643 54 residues pruned to eliminate duplicates Z: 72 42.424 2.213 0.634 0.521 0.915 0.620 CB 1.490 85 residues pruned to eliminate duplicates Z: 9 13.150 1.979 0.596 0.868 1.000 0.750 CB 1.076 9 residues pruned to eliminate duplicates Z: 57 43.888 2.201 0.749 0.586 0.911 0.696 CB 1.541 57 residues pruned to eliminate duplicates Z: 21 13.266 1.942 0.490 0.490 0.800 0.500 CB 1.294 21 residues pruned to eliminate duplicates Z: 28 24.344 2.123 0.399 0.613 0.963 0.852 CB 1.472 28 residues pruned to eliminate duplicates Z: 87 51.250 2.191 0.607 0.575 0.942 0.698 CB 1.551 73 residues pruned to eliminate duplicates Z: 11 9.812 1.951 0.442 0.707 0.900 0.600 CB 1.015 11 residues pruned to eliminate duplicates Z: 30 21.490 2.060 0.415 0.598 0.931 0.793 CB 1.339 30 residues pruned to eliminate duplicates Z: 21 13.809 2.033 0.080 0.533 0.950 0.800 CB 1.433 21 residues pruned to eliminate duplicates Z: 80 42.195 2.141 0.633 0.550 0.886 0.696 CB 1.460 80 residues pruned to eliminate duplicates Z: 18 16.270 2.087 0.196 0.592 1.000 0.824 CB 1.448 18 residues pruned to eliminate duplicates Z: 76 47.065 2.175 0.562 0.594 0.973 0.720 CB 1.502 76 residues pruned to eliminate duplicates Z: 71 49.198 2.212 0.556 0.575 0.971 0.686 CB 1.636 71 residues pruned to eliminate duplicates Z: 29 20.967 2.043 0.357 0.612 0.964 0.786 CB 1.332 29 residues pruned to eliminate duplicates Z: 16 18.395 2.150 0.226 0.655 1.000 0.867 CB 1.561 16 residues pruned to eliminate duplicates Z: 70 44.827 2.175 0.583 0.534 0.942 0.667 CB 1.609 70 residues pruned to eliminate duplicates Z: 74 49.919 2.185 0.633 0.602 0.945 0.712 CB 1.572 74 residues pruned to eliminate duplicates Z: 19 19.188 2.012 0.522 0.557 1.000 0.500 CB 1.397 19 residues pruned to eliminate duplicates Z: 75 52.142 2.200 0.735 0.585 0.959 0.649 CB 1.525 75 residues pruned to eliminate duplicates Z: 35 24.220 2.012 0.469 0.540 0.941 0.588 CB 1.435 35 residues pruned to eliminate duplicates Z: 21 17.894 1.861 0.528 0.556 0.950 0.500 CB 1.402 21 residues pruned to eliminate duplicates Z: 21 16.350 1.918 0.511 0.495 1.000 0.600 CB 1.267 21 residues pruned to eliminate duplicates Z: 43 44.126 2.234 1.007 0.558 0.881 0.548 CB 1.630 43 residues pruned to eliminate duplicates Z: 41 46.456 2.244 0.938 0.590 0.925 0.575 CB 1.675 40 residues pruned to eliminate duplicates Z: 19 35.166 2.090 1.073 0.790 0.944 0.778 CB 1.570 19 residues pruned to eliminate duplicates Z: 230 94.481 2.302 0.691 0.551 0.913 0.603 CB 1.673 230 residues pruned to eliminate duplicates Z: 42 47.985 2.300 0.968 0.569 0.902 0.561 CB 1.715 42 residues pruned to eliminate duplicates Z: 49 44.820 2.229 1.053 0.530 0.875 0.604 CB 1.569 49 residues pruned to eliminate duplicates Z: 37 45.910 2.289 0.793 0.631 0.972 0.639 CB 1.695 37 residues pruned to eliminate duplicates Z: 42 44.063 2.277 0.987 0.558 0.854 0.561 CB 1.685 42 residues pruned to eliminate duplicates Z: 83 57.001 2.281 0.784 0.545 0.890 0.573 CB 1.663 83 residues pruned to eliminate duplicates Z: 18 19.845 2.140 0.794 0.453 0.824 0.353 CB 1.598 18 residues pruned to eliminate duplicates Z: 123 73.335 2.299 0.806 0.542 0.926 0.590 CB 1.658 123 residues pruned to eliminate duplicates Z: 47 47.721 2.309 0.926 0.558 0.913 0.609 CB 1.639 47 residues pruned to eliminate duplicates Z: 37 42.683 2.254 0.856 0.613 0.917 0.583 CB 1.667 37 residues pruned to eliminate duplicates Z: 57 61.499 2.291 0.878 0.645 0.964 0.571 CB 1.730 38 residues pruned to eliminate duplicates Z: 9 14.002 2.188 0.412 0.765 0.875 0.750 CA 1.447 9 residues pruned to eliminate duplicates Z: 17 18.686 2.202 0.490 0.480 0.875 0.375 CA 1.661 17 residues pruned to eliminate duplicates Z: 43 40.182 2.205 0.987 0.545 0.857 0.595 CB 1.580 43 residues pruned to eliminate duplicates Z: 43 44.737 2.309 0.984 0.536 0.881 0.595 CB 1.650 43 residues pruned to eliminate duplicates Z: 96 54.403 2.236 0.654 0.521 0.905 0.558 CB 1.633 96 residues pruned to eliminate duplicates Z: 50 42.068 2.230 0.569 0.581 0.959 0.714 CB 1.656 50 residues pruned to eliminate duplicates Z: 111 71.948 2.319 0.642 0.620 0.909 0.664 CB 1.769 111 residues pruned to eliminate duplicates Z: 17 13.622 2.033 0.696 0.313 0.938 0.438 CB 1.296 17 residues pruned to eliminate duplicates Z: 16 13.221 2.036 0.800 0.307 0.933 0.533 CB 1.236 16 residues pruned to eliminate duplicates Z: 55 42.366 2.216 0.642 0.565 0.963 0.704 CB 1.545 55 residues pruned to eliminate duplicates Z: 134 73.097 2.310 0.628 0.568 0.940 0.639 CB 1.678 134 residues pruned to eliminate duplicates Z: 16 11.987 2.158 0.482 0.293 0.933 0.467 CB 1.307 16 residues pruned to eliminate duplicates Z: 36 22.516 2.056 0.563 0.509 0.857 0.629 CB 1.370 36 residues pruned to eliminate duplicates Z: 66 50.183 2.269 0.651 0.581 0.923 0.600 CB 1.665 66 residues pruned to eliminate duplicates Z: 88 59.082 2.255 0.601 0.582 0.897 0.586 CB 1.808 88 residues pruned to eliminate duplicates Z: 17 12.588 2.119 0.606 0.272 1.000 0.500 CB 1.198 17 residues pruned to eliminate duplicates Z: 11 6.409 2.073 0.358 0.264 0.800 0.400 CB 1.179 11 residues pruned to eliminate duplicates Z: 15 13.363 2.156 0.534 0.293 1.000 0.500 CB 1.362 15 residues pruned to eliminate duplicates Z: 11 6.066 2.015 0.187 0.248 0.900 0.400 CB 1.191 11 residues pruned to eliminate duplicates Z: 94 59.337 2.281 0.676 0.553 0.935 0.602 CB 1.634 94 residues pruned to eliminate duplicates Z: 53 41.579 2.310 0.616 0.488 0.942 0.558 CB 1.658 53 residues pruned to eliminate duplicates Z: 51 44.148 2.247 0.728 0.545 0.960 0.740 CB 1.602 51 residues pruned to eliminate duplicates Z: 74 59.569 2.350 0.616 0.583 0.973 0.658 CB 1.743 74 residues pruned to eliminate duplicates Z: 143 74.753 2.293 0.620 0.575 0.937 0.641 CB 1.678 143 residues pruned to eliminate duplicates Z: 47 54.232 2.415 0.772 0.602 0.957 0.696 CB 1.773 45 residues pruned to eliminate duplicates Z: 14 25.399 2.139 0.598 0.838 0.923 0.769 CA 1.668 14 residues pruned to eliminate duplicates Z: 28 28.215 2.209 0.524 0.549 0.963 0.704 CB 1.597 28 residues pruned to eliminate duplicates Z: 43 51.584 2.342 0.863 0.585 0.976 0.667 CB 1.722 43 residues pruned to eliminate duplicates Z: 15 25.604 2.200 0.785 0.718 0.857 0.786 C 1.668 15 residues pruned to eliminate duplicates Z: 47 52.759 2.402 0.779 0.579 0.978 0.717 CB 1.725 47 residues pruned to eliminate duplicates Z: 147 75.680 2.336 0.612 0.560 0.925 0.616 CB 1.696 147 residues pruned to eliminate duplicates Z: 43 46.824 2.328 0.783 0.591 0.929 0.667 CB 1.717 43 residues pruned to eliminate duplicates Z: 91 50.202 2.305 0.605 0.507 0.878 0.656 CB 1.618 91 residues pruned to eliminate duplicates Z: 79 52.635 2.272 0.649 0.550 0.923 0.641 CB 1.642 51 residues pruned to eliminate duplicates Z: 12 27.691 2.230 0.569 0.917 1.000 1.000 C 1.684 12 residues pruned to eliminate duplicates Z: 26 17.274 2.127 0.364 0.475 0.880 0.600 CB 1.387 26 residues pruned to eliminate duplicates Z: 31 41.643 2.470 0.690 0.556 0.967 0.600 CB 1.784 31 residues pruned to eliminate duplicates Z: 30 52.695 2.531 0.898 0.622 0.966 0.690 CB 1.880 30 residues pruned to eliminate duplicates Z: 9 16.957 2.364 0.951 0.464 0.875 0.500 CB 1.541 9 residues pruned to eliminate duplicates Z: 64 52.866 2.372 0.690 0.552 0.921 0.730 CB 1.716 64 residues pruned to eliminate duplicates Z: 7 5.223 1.850 0.736 0.326 0.667 0.500 CB 1.206 7 residues pruned to eliminate duplicates Z: 116 69.821 2.336 0.619 0.565 0.957 0.626 CB 1.690 116 residues pruned to eliminate duplicates Z: 59 54.039 2.348 0.706 0.561 0.948 0.690 CB 1.761 59 residues pruned to eliminate duplicates Z: 61 38.606 2.203 0.691 0.513 0.883 0.600 CB 1.495 61 residues pruned to eliminate duplicates Z: 49 52.658 2.375 0.845 0.599 0.938 0.646 CB 1.684 49 residues pruned to eliminate duplicates Z: 29 44.280 2.410 0.845 0.583 0.964 0.750 CB 1.802 29 residues pruned to eliminate duplicates Z: 33 41.651 2.410 0.823 0.551 0.938 0.656 CB 1.699 33 residues pruned to eliminate duplicates Z: 48 45.532 2.305 0.726 0.571 0.936 0.638 CB 1.664 48 residues pruned to eliminate duplicates Z: 83 57.432 2.336 0.694 0.549 0.927 0.683 CB 1.649 83 residues pruned to eliminate duplicates Z: 14 41.773 2.295 1.107 0.878 1.000 0.846 CB 1.739 14 residues pruned to eliminate duplicates Z: 76 61.703 2.326 0.728 0.589 0.973 0.653 CB 1.673 76 residues pruned to eliminate duplicates Z: 74 50.128 2.275 0.712 0.511 0.918 0.603 CB 1.623 74 residues pruned to eliminate duplicates Z: 21 43.616 2.472 0.836 0.645 0.950 0.700 C 1.975 21 residues pruned to eliminate duplicates Z: 36 45.679 2.411 0.920 0.571 0.886 0.686 CB 1.758 36 residues pruned to eliminate duplicates Z: 60 44.930 2.255 0.775 0.500 0.966 0.610 CB 1.513 60 residues pruned to eliminate duplicates Z: 30 54.268 2.472 1.084 0.589 0.966 0.690 CB 1.861 30 residues pruned to eliminate duplicates Z: 47 47.180 2.392 0.734 0.576 0.913 0.696 CB 1.707 47 residues pruned to eliminate duplicates Z: 105 62.762 2.322 0.648 0.545 0.933 0.654 CB 1.651 105 residues pruned to eliminate duplicates Z: 46 50.616 2.403 0.784 0.582 0.933 0.667 CB 1.743 46 residues pruned to eliminate duplicates Z: 19 36.929 2.327 1.097 0.511 0.944 0.611 CB 1.867 19 residues pruned to eliminate duplicates Z: 25 33.153 2.404 0.715 0.542 0.917 0.500 CB 1.719 25 residues pruned to eliminate duplicates Z: 59 55.730 2.406 0.703 0.589 0.931 0.759 CB 1.762 59 residues pruned to eliminate duplicates Z: 36 32.620 2.288 0.497 0.530 0.914 0.600 CB 1.709 36 residues pruned to eliminate duplicates Z: 73 62.660 2.374 0.731 0.600 0.944 0.667 CB 1.730 73 residues pruned to eliminate duplicates Z: 44 43.673 2.362 0.819 0.543 0.884 0.558 CB 1.682 44 residues pruned to eliminate duplicates Z: 72 63.691 2.378 0.714 0.597 0.944 0.732 CB 1.790 72 residues pruned to eliminate duplicates Z: 7 6.865 1.959 -0.001 0.540 0.833 0.500 CA 1.653 7 residues pruned to eliminate duplicates Z: 36 34.032 2.327 0.568 0.554 0.914 0.743 CB 1.635 36 residues pruned to eliminate duplicates Z: 6 7.610 1.878 0.428 0.487 1.000 0.800 CB 1.285 6 residues pruned to eliminate duplicates Z: 59 62.226 2.403 0.848 0.569 0.966 0.690 CB 1.784 59 residues pruned to eliminate duplicates Z: 39 34.457 2.294 0.606 0.500 0.868 0.632 CB 1.748 39 residues pruned to eliminate duplicates Z: 34 36.059 2.361 0.572 0.556 0.909 0.727 CB 1.762 34 residues pruned to eliminate duplicates Z: 40 33.234 2.220 0.610 0.533 0.872 0.667 CB 1.653 40 residues pruned to eliminate duplicates Z: 29 32.057 2.314 0.495 0.578 0.929 0.679 CB 1.750 29 residues pruned to eliminate duplicates Z: 35 40.020 2.350 0.641 0.582 0.941 0.647 CB 1.747 35 residues pruned to eliminate duplicates Z: 113 59.110 2.256 0.672 0.515 0.902 0.598 CB 1.618 113 residues pruned to eliminate duplicates Z: 29 30.417 2.222 0.669 0.557 0.893 0.750 CB 1.642 29 residues pruned to eliminate duplicates Z: 35 34.239 2.264 0.639 0.538 0.912 0.647 CB 1.673 35 residues pruned to eliminate duplicates Z: 188 89.268 2.317 0.632 0.576 0.930 0.631 CB 1.724 188 residues pruned to eliminate duplicates Z: 73 63.516 2.354 0.757 0.576 0.958 0.653 CB 1.756 73 residues pruned to eliminate duplicates Z: 19 24.267 2.220 0.426 0.560 1.000 0.833 CB 1.704 19 residues pruned to eliminate duplicates Z: 29 36.271 2.279 0.741 0.582 0.929 0.750 CB 1.718 29 residues pruned to eliminate duplicates Z: 6 6.262 1.676 0.477 0.385 1.000 0.600 CB 1.278 Z: 6 4.097 1.757 0.286 0.361 0.800 0.000 CA 1.178 6 residues pruned to eliminate duplicates Z: 74 61.904 2.379 0.753 0.571 0.945 0.685 CB 1.715 74 residues pruned to eliminate duplicates Z: 73 60.715 2.347 0.724 0.582 0.931 0.611 CB 1.756 73 residues pruned to eliminate duplicates Z: 29 32.983 2.315 0.529 0.580 0.929 0.714 CB 1.755 29 residues pruned to eliminate duplicates Z: 35 42.562 2.372 0.777 0.558 0.941 0.706 CB 1.739 35 residues pruned to eliminate duplicates Z: 60 61.002 2.399 0.814 0.557 0.966 0.576 CB 1.787 60 residues pruned to eliminate duplicates Z: 100 64.415 2.286 0.776 0.526 0.939 0.606 CB 1.655 100 residues pruned to eliminate duplicates Z: 34 28.178 2.238 0.643 0.462 0.879 0.606 CB 1.577 34 residues pruned to eliminate duplicates Z: 37 39.667 2.336 0.787 0.535 0.889 0.639 CB 1.721 37 residues pruned to eliminate duplicates Z: 77 53.299 2.331 0.764 0.476 0.921 0.579 CB 1.655 77 residues pruned to eliminate duplicates Z: 39 35.162 2.263 0.705 0.466 0.921 0.500 CB 1.661 39 residues pruned to eliminate duplicates Z: 63 47.175 2.276 0.683 0.545 0.919 0.613 CB 1.629 63 residues pruned to eliminate duplicates Z: 42 33.139 2.236 0.701 0.446 0.902 0.659 CB 1.594 42 residues pruned to eliminate duplicates Z: 27 27.059 2.201 0.560 0.445 0.962 0.654 CB 1.700 27 residues pruned to eliminate duplicates Z: 28 27.217 2.174 0.778 0.480 0.926 0.593 CB 1.493 28 residues pruned to eliminate duplicates Z: 66 49.584 2.252 0.833 0.527 0.908 0.600 CB 1.598 66 residues pruned to eliminate duplicates Z: 48 33.051 2.234 0.663 0.454 0.851 0.660 CB 1.599 48 residues pruned to eliminate duplicates Z: 47 44.332 2.270 0.798 0.575 0.891 0.630 CB 1.671 47 residues pruned to eliminate duplicates Z: 46 48.199 2.338 0.794 0.589 0.933 0.467 CB 1.685 46 residues pruned to eliminate duplicates Z: 41 43.340 2.226 0.776 0.625 0.950 0.650 CB 1.622 41 residues pruned to eliminate duplicates Z: 40 46.103 2.281 0.929 0.613 0.872 0.615 CB 1.729 40 residues pruned to eliminate duplicates Z: 41 46.317 2.223 0.937 0.600 0.925 0.600 CB 1.672 41 residues pruned to eliminate duplicates Z: 47 55.587 2.304 0.994 0.554 0.957 0.565 CB 1.770 47 residues pruned to eliminate duplicates Z: 79 51.917 2.239 0.860 0.486 0.897 0.603 CB 1.596 79 residues pruned to eliminate duplicates Z: 36 43.615 2.290 0.780 0.646 0.914 0.629 CB 1.725 36 residues pruned to eliminate duplicates Z: 54 37.470 2.243 0.822 0.426 0.830 0.623 CB 1.640 54 residues pruned to eliminate duplicates Z: 34 33.481 2.302 0.777 0.401 0.939 0.636 CB 1.683 34 residues pruned to eliminate duplicates Z: 36 33.148 2.248 0.798 0.407 0.943 0.600 CB 1.620 36 residues pruned to eliminate duplicates Z: 30 26.799 2.149 0.510 0.569 0.862 0.552 CB 1.664 30 residues pruned to eliminate duplicates Z: 13 13.102 1.925 1.041 0.295 0.833 0.417 C 1.452 13 residues pruned to eliminate duplicates Z: 24 30.503 2.145 0.527 0.686 0.957 0.565 CB 1.713 24 residues pruned to eliminate duplicates Z: 24 28.091 2.122 0.529 0.668 0.870 0.739 CB 1.778 24 residues pruned to eliminate duplicates Z: 22 26.725 2.243 0.465 0.687 0.857 0.619 CB 1.745 22 residues pruned to eliminate duplicates Z: 111 68.220 2.314 0.570 0.611 0.909 0.645 CB 1.772 111 residues pruned to eliminate duplicates Z: 110 68.219 2.286 0.539 0.614 0.945 0.624 CB 1.764 110 residues pruned to eliminate duplicates Z: 65 56.215 2.336 0.492 0.622 0.953 0.562 CB 1.885 65 residues pruned to eliminate duplicates Z: 25 35.510 2.293 0.428 0.750 0.958 0.833 C 1.847 31 residues pruned to eliminate duplicates Z: 14 37.827 2.302 0.796 0.931 1.000 0.846 C 1.773 15 residues pruned to eliminate duplicates Z: 14 41.419 2.318 0.904 0.932 1.000 1.000 C 1.817 14 residues pruned to eliminate duplicates Z: 83 59.859 2.281 0.634 0.591 0.915 0.585 CB 1.778 83 residues pruned to eliminate duplicates Z: 66 56.798 2.304 0.630 0.607 0.923 0.554 CB 1.835 66 residues pruned to eliminate duplicates Z: 28 39.119 2.174 0.778 0.707 0.926 0.593 C 1.743 28 residues pruned to eliminate duplicates Z: 26 42.040 2.205 0.902 0.763 0.920 0.720 C 1.726 26 residues pruned to eliminate duplicates Z: 76 67.893 2.314 0.651 0.656 0.933 0.640 C 1.901 76 residues pruned to eliminate duplicates Z: 21 13.290 1.895 0.295 0.403 0.900 0.400 C 1.490 21 residues pruned to eliminate duplicates Z: 27 42.817 2.174 0.926 0.732 0.962 0.769 C 1.693 27 residues pruned to eliminate duplicates Z: 95 63.668 2.323 0.564 0.593 0.926 0.660 CB 1.786 95 residues pruned to eliminate duplicates Z: 26 39.226 2.200 0.782 0.746 0.920 0.720 C 1.746 26 residues pruned to eliminate duplicates Z: 50 50.765 2.298 0.644 0.632 0.918 0.612 CB 1.848 50 residues pruned to eliminate duplicates Z: 86 65.559 2.349 0.526 0.621 0.965 0.647 CB 1.835 86 residues pruned to eliminate duplicates Z: 12 18.359 2.150 0.606 0.627 0.818 0.545 C 1.738 12 residues pruned to eliminate duplicates Z: 13 18.782 2.059 0.330 0.640 1.000 0.583 C 1.737 13 residues pruned to eliminate duplicates Z: 12 16.796 2.108 0.342 0.688 0.909 0.545 CB 1.657 12 residues pruned to eliminate duplicates Z: 112 64.949 2.244 0.586 0.612 0.901 0.604 CB 1.730 112 residues pruned to eliminate duplicates Z: 70 57.196 2.333 0.533 0.661 0.928 0.623 CB 1.788 70 residues pruned to eliminate duplicates Z: 72 59.909 2.321 0.586 0.651 0.944 0.634 CB 1.779 72 residues pruned to eliminate duplicates Z: 98 68.027 2.311 0.574 0.644 0.928 0.629 CB 1.788 98 residues pruned to eliminate duplicates Z: 74 73.446 2.370 0.721 0.670 0.959 0.589 CB 1.878 74 residues pruned to eliminate duplicates Z: 6 6.395 2.106 0.415 0.384 0.800 0.600 CA 1.357 6 residues pruned to eliminate duplicates Z: 75 62.716 2.331 0.606 0.639 0.932 0.595 CB 1.833 75 residues pruned to eliminate duplicates Z: 83 58.612 2.277 0.544 0.592 0.951 0.610 CB 1.773 83 residues pruned to eliminate duplicates Z: 61 56.999 2.310 0.627 0.600 0.950 0.617 CB 1.872 61 residues pruned to eliminate duplicates Z: 51 42.746 2.304 0.503 0.575 0.920 0.560 CB 1.765 51 residues pruned to eliminate duplicates Z: 73 60.003 2.350 0.642 0.594 0.917 0.694 CB 1.828 73 residues pruned to eliminate duplicates Z: 55 58.109 2.396 0.565 0.658 0.944 0.648 CB 1.928 55 residues pruned to eliminate duplicates Z: 86 63.183 2.328 0.569 0.628 0.918 0.682 CB 1.812 86 residues pruned to eliminate duplicates Z: 93 64.001 2.304 0.525 0.614 0.957 0.652 CB 1.782 93 residues pruned to eliminate duplicates Z: 115 74.412 2.303 0.644 0.609 0.956 0.632 CB 1.737 115 residues pruned to eliminate duplicates Z: 66 59.660 2.313 0.692 0.630 0.923 0.615 CB 1.813 66 residues pruned to eliminate duplicates Z: 111 70.534 2.285 0.667 0.592 0.918 0.564 CB 1.760 111 residues pruned to eliminate duplicates Z: 48 53.419 2.350 0.695 0.638 0.915 0.596 CB 1.878 48 residues pruned to eliminate duplicates Z: 114 68.738 2.317 0.571 0.620 0.903 0.681 CB 1.757 114 residues pruned to eliminate duplicates Z: 89 59.989 2.309 0.543 0.581 0.977 0.636 CB 1.699 89 residues pruned to eliminate duplicates Z: 93 59.596 2.296 0.588 0.565 0.924 0.609 CB 1.731 93 residues pruned to eliminate duplicates Z: 53 39.308 2.284 0.425 0.547 0.885 0.577 CB 1.809 53 residues pruned to eliminate duplicates Z: 157 77.850 2.270 0.624 0.593 0.923 0.615 CB 1.676 92 residues pruned to eliminate duplicates Z: 20 33.865 2.319 0.419 0.875 0.947 0.842 CA 1.812 20 residues pruned to eliminate duplicates Z: 59 57.743 2.331 0.622 0.639 0.948 0.603 CB 1.855 59 residues pruned to eliminate duplicates Z: 76 68.055 2.343 0.634 0.668 0.947 0.733 CB 1.857 76 residues pruned to eliminate duplicates Z: 63 55.597 2.328 0.614 0.622 0.919 0.581 CB 1.820 63 residues pruned to eliminate duplicates Z: 65 58.539 2.279 0.560 0.643 0.984 0.594 CB 1.830 65 residues pruned to eliminate duplicates Z: 65 58.801 2.327 0.660 0.624 0.922 0.594 CB 1.836 65 residues pruned to eliminate duplicates Z: 48 42.335 2.244 0.531 0.601 0.894 0.511 CA 1.827 48 residues pruned to eliminate duplicates Z: 101 71.902 2.306 0.642 0.658 0.920 0.670 CB 1.782 101 residues pruned to eliminate duplicates Z: 97 66.660 2.309 0.614 0.633 0.896 0.615 CB 1.799 97 residues pruned to eliminate duplicates Z: 98 63.898 2.275 0.538 0.640 0.928 0.660 CB 1.753 98 residues pruned to eliminate duplicates Z: 80 64.990 2.316 0.649 0.640 0.924 0.658 CB 1.817 80 residues pruned to eliminate duplicates Z: 97 63.509 2.328 0.561 0.597 0.917 0.635 CB 1.773 97 residues pruned to eliminate duplicates Z: 68 59.873 2.339 0.612 0.620 0.925 0.642 CB 1.872 68 residues pruned to eliminate duplicates Z: 45 38.997 2.287 0.530 0.636 0.864 0.705 CB 1.713 45 residues pruned to eliminate duplicates Z: 99 72.677 2.317 0.651 0.659 0.939 0.694 CB 1.764 99 residues pruned to eliminate duplicates Z: 39 39.702 2.228 0.508 0.688 0.895 0.789 CB 1.803 39 residues pruned to eliminate duplicates Z: 117 57.728 2.248 0.559 0.564 0.871 0.603 CB 1.650 117 residues pruned to eliminate duplicates Z: 114 68.110 2.281 0.590 0.606 0.920 0.611 CB 1.735 114 residues pruned to eliminate duplicates Z: 84 63.864 2.301 0.588 0.635 0.940 0.614 CB 1.798 84 residues pruned to eliminate duplicates Z: 36 44.930 2.226 0.692 0.714 0.943 0.771 CB 1.762 36 residues pruned to eliminate duplicates Z: 112 68.124 2.289 0.641 0.615 0.892 0.640 CB 1.731 112 residues pruned to eliminate duplicates Z: 107 69.841 2.274 0.629 0.631 0.925 0.679 CB 1.751 107 residues pruned to eliminate duplicates Z: 56 38.812 2.267 0.553 0.571 0.855 0.618 CB 1.624 56 residues pruned to eliminate duplicates Z: 76 59.361 2.324 0.557 0.651 0.907 0.667 CB 1.816 76 residues pruned to eliminate duplicates Z: 70 45.175 2.213 0.620 0.556 0.928 0.638 CB 1.548 70 residues pruned to eliminate duplicates Z: 103 60.575 2.290 0.602 0.575 0.892 0.627 CB 1.704 103 residues pruned to eliminate duplicates Z: 118 73.804 2.271 0.662 0.633 0.915 0.650 CB 1.745 118 residues pruned to eliminate duplicates Z: 100 59.820 2.303 0.616 0.573 0.848 0.626 CB 1.775 100 residues pruned to eliminate duplicates Z: 98 72.687 2.319 0.646 0.648 0.918 0.680 CB 1.836 98 residues pruned to eliminate duplicates Z: 52 41.595 2.246 0.658 0.577 0.902 0.706 CB 1.610 52 residues pruned to eliminate duplicates Z: 101 60.826 2.284 0.642 0.571 0.900 0.660 CB 1.683 101 residues pruned to eliminate duplicates Z: 102 56.459 2.244 0.578 0.567 0.891 0.574 CB 1.669 102 residues pruned to eliminate duplicates Z: 98 69.695 2.295 0.641 0.657 0.918 0.691 CB 1.771 98 residues pruned to eliminate duplicates Z: 34 24.244 2.098 0.565 0.498 0.909 0.636 CB 1.417 34 residues pruned to eliminate duplicates Z: 85 62.941 2.303 0.604 0.638 0.917 0.631 CB 1.783 85 residues pruned to eliminate duplicates Z: 22 15.790 1.869 0.510 0.511 0.810 0.524 CB 1.492 22 residues pruned to eliminate duplicates Z: 138 86.833 2.315 0.697 0.648 0.934 0.584 CB 1.761 100 residues pruned to eliminate duplicates Z: 14 17.431 1.917 0.425 0.876 1.000 0.923 CB 1.286 14 residues pruned to eliminate duplicates Z: 65 51.790 2.295 0.628 0.595 0.938 0.672 CB 1.689 65 residues pruned to eliminate duplicates Z: 53 52.747 2.341 0.627 0.667 0.942 0.712 CB 1.746 53 residues pruned to eliminate duplicates Z: 48 44.763 2.273 0.621 0.605 0.957 0.660 CB 1.675 48 residues pruned to eliminate duplicates Z: 89 54.445 2.273 0.528 0.568 0.909 0.602 CB 1.722 89 residues pruned to eliminate duplicates Z: 52 39.894 2.183 0.543 0.572 0.961 0.686 CB 1.610 52 residues pruned to eliminate duplicates Z: 52 39.431 2.246 0.531 0.565 0.941 0.667 CB 1.603 52 residues pruned to eliminate duplicates Z: 26 22.485 2.187 0.530 0.442 1.000 0.560 CB 1.427 26 residues pruned to eliminate duplicates Z: 102 73.499 2.333 0.639 0.636 0.931 0.634 CB 1.809 102 residues pruned to eliminate duplicates Z: 11 14.404 2.111 0.830 0.325 1.000 0.700 CB 1.429 11 residues pruned to eliminate duplicates Z: 15 9.843 1.994 0.359 0.262 0.857 0.357 CB 1.486 15 residues pruned to eliminate duplicates Z: 6 3.206 1.641 0.094 0.263 1.000 0.400 CB 1.047 6 residues pruned to eliminate duplicates Z: 11 17.188 2.283 0.601 0.442 1.000 0.400 CB 1.578 11 residues pruned to eliminate duplicates Z: 13 14.797 2.259 0.793 0.329 0.917 0.667 CB 1.387 13 residues pruned to eliminate duplicates Z: 99 65.253 2.259 0.660 0.653 0.929 0.653 CB 1.641 99 residues pruned to eliminate duplicates Z: 79 57.566 2.241 0.662 0.635 0.936 0.641 CB 1.648 79 residues pruned to eliminate duplicates Z: 43 37.148 2.231 0.682 0.559 0.881 0.643 CB 1.638 43 residues pruned to eliminate duplicates Z: 98 65.612 2.283 0.628 0.660 0.928 0.701 CB 1.665 98 residues pruned to eliminate duplicates Z: 36 37.285 2.262 0.444 0.631 1.000 0.686 CB 1.706 36 residues pruned to eliminate duplicates Z: 74 50.212 2.235 0.549 0.651 0.904 0.616 CB 1.631 74 residues pruned to eliminate duplicates Z: 26 21.271 2.221 0.340 0.485 0.880 0.560 CB 1.649 26 residues pruned to eliminate duplicates Z: 76 58.648 2.252 0.723 0.659 0.920 0.613 CB 1.636 76 residues pruned to eliminate duplicates Z: 65 54.193 2.275 0.683 0.615 0.938 0.578 CB 1.693 65 residues pruned to eliminate duplicates Z: 99 66.324 2.271 0.654 0.658 0.929 0.622 CB 1.659 99 residues pruned to eliminate duplicates Z: 137 71.352 2.199 0.649 0.600 0.934 0.610 CB 1.643 137 residues pruned to eliminate duplicates Z: 99 66.055 2.250 0.668 0.642 0.939 0.643 CB 1.658 99 residues pruned to eliminate duplicates Z: 72 49.904 2.236 0.597 0.646 0.915 0.676 CB 1.582 72 residues pruned to eliminate duplicates Z: 74 51.519 2.214 0.594 0.629 0.932 0.658 CB 1.625 74 residues pruned to eliminate duplicates Z: 98 68.439 2.267 0.729 0.651 0.928 0.660 CB 1.660 98 residues pruned to eliminate duplicates Z: 101 66.511 2.254 0.697 0.650 0.910 0.700 CB 1.661 101 residues pruned to eliminate duplicates Z: 110 71.775 2.259 0.772 0.578 0.936 0.615 CB 1.702 110 residues pruned to eliminate duplicates Z: 65 53.595 2.280 0.742 0.618 0.891 0.531 CB 1.694 65 residues pruned to eliminate duplicates Z: 99 64.289 2.272 0.675 0.642 0.908 0.663 CB 1.646 99 residues pruned to eliminate duplicates Z: 48 49.883 2.264 0.601 0.686 1.000 0.660 CB 1.693 48 residues pruned to eliminate duplicates Z: 58 57.361 2.289 0.706 0.666 0.947 0.596 CB 1.761 58 residues pruned to eliminate duplicates Z: 62 53.030 2.288 0.667 0.619 0.918 0.590 CB 1.733 62 residues pruned to eliminate duplicates Z: 29 35.239 2.265 0.389 0.694 0.964 0.643 CB 1.838 29 residues pruned to eliminate duplicates Z: 75 55.249 2.209 0.751 0.631 0.892 0.622 CB 1.646 75 residues pruned to eliminate duplicates Z: 16 25.517 2.205 0.648 0.647 1.000 0.667 CB 1.581 16 residues pruned to eliminate duplicates Z: 39 33.615 2.156 0.495 0.557 0.974 0.605 CB 1.645 39 residues pruned to eliminate duplicates Z: 101 65.212 2.212 0.700 0.654 0.940 0.620 CB 1.598 101 residues pruned to eliminate duplicates Z: 98 65.922 2.258 0.653 0.664 0.938 0.711 CB 1.643 98 residues pruned to eliminate duplicates Z: 78 59.981 2.259 0.699 0.651 0.948 0.649 CB 1.632 78 residues pruned to eliminate duplicates Z: 80 58.218 2.216 0.725 0.644 0.899 0.646 CB 1.668 80 residues pruned to eliminate duplicates Z: 84 54.552 2.252 0.576 0.626 0.916 0.687 CB 1.636 84 residues pruned to eliminate duplicates Z: 71 53.000 2.237 0.632 0.656 0.943 0.643 CB 1.592 71 residues pruned to eliminate duplicates Z: 70 54.730 2.268 0.611 0.683 0.928 0.725 CB 1.643 70 residues pruned to eliminate duplicates Z: 84 54.373 2.258 0.545 0.630 0.916 0.651 CB 1.654 84 residues pruned to eliminate duplicates Z: 99 65.392 2.259 0.656 0.656 0.918 0.673 CB 1.664 99 residues pruned to eliminate duplicates Z: 98 68.563 2.303 0.653 0.659 0.938 0.711 CB 1.682 98 residues pruned to eliminate duplicates Z: 40 37.901 2.200 0.697 0.689 0.923 0.667 CB 1.481 40 residues pruned to eliminate duplicates Z: 70 54.035 2.266 0.606 0.673 0.928 0.681 CB 1.643 70 residues pruned to eliminate duplicates Z: 88 61.262 2.270 0.726 0.630 0.908 0.690 CB 1.634 88 residues pruned to eliminate duplicates Z: 61 42.179 2.206 0.607 0.624 0.867 0.617 CB 1.577 61 residues pruned to eliminate duplicates Z: 82 55.817 2.209 0.592 0.637 0.938 0.617 CB 1.653 82 residues pruned to eliminate duplicates Z: 78 59.234 2.252 0.788 0.650 0.883 0.662 CB 1.651 78 residues pruned to eliminate duplicates Z: 72 50.359 2.209 0.624 0.654 0.915 0.676 CB 1.577 72 residues pruned to eliminate duplicates Z: 75 55.861 2.269 0.708 0.634 0.905 0.662 CB 1.632 75 residues pruned to eliminate duplicates Z: 99 70.020 2.278 0.731 0.667 0.939 0.673 CB 1.637 99 residues pruned to eliminate duplicates Z: 99 70.358 2.287 0.732 0.648 0.939 0.684 CB 1.665 99 residues pruned to eliminate duplicates Z: 99 64.515 2.262 0.692 0.659 0.929 0.653 CB 1.582 99 residues pruned to eliminate duplicates Z: 99 66.713 2.274 0.717 0.639 0.918 0.684 CB 1.650 99 residues pruned to eliminate duplicates Z: 99 69.527 2.279 0.749 0.662 0.918 0.684 CB 1.651 99 residues pruned to eliminate duplicates Z: 89 62.479 2.233 0.775 0.631 0.909 0.648 CB 1.634 89 residues pruned to eliminate duplicates Z: 53 44.866 2.220 0.685 0.670 0.904 0.692 CB 1.573 53 residues pruned to eliminate duplicates Z: 99 70.860 2.281 0.748 0.664 0.918 0.694 CB 1.680 99 residues pruned to eliminate duplicates Z: 72 50.435 2.195 0.654 0.660 0.901 0.718 CB 1.577 72 residues pruned to eliminate duplicates Z: 53 46.864 2.223 0.709 0.676 0.923 0.692 CB 1.576 53 residues pruned to eliminate duplicates Z: 23 23.707 2.184 0.671 0.639 0.864 0.682 CB 1.408 23 residues pruned to eliminate duplicates Z: 9 7.044 2.008 0.538 0.400 0.750 0.375 CB 1.195 9 residues pruned to eliminate duplicates Z: 123 75.414 2.255 0.797 0.623 0.910 0.566 CB 1.649 123 residues pruned to eliminate duplicates Z: 40 48.648 2.273 0.864 0.597 0.949 0.513 CB 1.766 40 residues pruned to eliminate duplicates Z: 42 39.998 2.174 0.682 0.578 0.927 0.634 CB 1.709 42 residues pruned to eliminate duplicates Z: 43 40.825 2.207 0.685 0.560 0.976 0.500 CB 1.638 43 residues pruned to eliminate duplicates Z: 85 56.934 2.201 0.656 0.579 0.940 0.524 CB 1.679 85 residues pruned to eliminate duplicates Z: 41 46.360 2.311 0.758 0.597 0.975 0.675 CB 1.686 41 residues pruned to eliminate duplicates Z: 35 44.253 2.331 0.960 0.562 0.941 0.500 CB 1.662 35 residues pruned to eliminate duplicates Z: 47 49.824 2.329 0.774 0.584 0.957 0.652 CB 1.714 47 residues pruned to eliminate duplicates Z: 38 47.154 2.280 0.732 0.654 0.973 0.514 CB 1.748 38 residues pruned to eliminate duplicates Z: 24 50.611 2.393 1.020 0.699 0.957 0.652 CB 1.903 24 residues pruned to eliminate duplicates Z: 53 52.493 2.248 0.723 0.673 0.942 0.654 CB 1.700 53 residues pruned to eliminate duplicates Z: 49 47.611 2.290 0.835 0.529 0.938 0.562 CB 1.695 49 residues pruned to eliminate duplicates Z: 48 44.870 2.288 0.760 0.543 0.936 0.553 CB 1.664 48 residues pruned to eliminate duplicates Z: 52 47.663 2.217 0.850 0.539 0.961 0.510 CB 1.631 52 residues pruned to eliminate duplicates Z: 49 44.571 2.275 0.703 0.559 0.917 0.562 CB 1.710 49 residues pruned to eliminate duplicates Z: 50 43.443 2.223 0.785 0.550 0.918 0.551 CB 1.621 50 residues pruned to eliminate duplicates Z: 39 48.335 2.259 0.851 0.637 0.947 0.526 CB 1.741 39 residues pruned to eliminate duplicates Z: 52 42.096 2.210 0.739 0.531 0.922 0.608 CB 1.614 52 residues pruned to eliminate duplicates Z: 36 56.597 2.370 0.817 0.691 1.000 0.571 CB 1.866 36 residues pruned to eliminate duplicates Z: 48 47.768 2.269 0.808 0.549 0.957 0.617 CB 1.691 48 residues pruned to eliminate duplicates Z: 37 51.413 2.293 0.877 0.649 0.972 0.611 CB 1.782 37 residues pruned to eliminate duplicates Z: 41 48.850 2.300 0.862 0.594 0.950 0.500 CB 1.735 41 residues pruned to eliminate duplicates Z: 38 47.579 2.288 0.783 0.638 0.946 0.676 CB 1.781 38 residues pruned to eliminate duplicates Z: 50 44.756 2.256 0.809 0.523 0.918 0.592 CB 1.667 50 residues pruned to eliminate duplicates Z: 42 47.977 2.278 0.882 0.592 0.927 0.585 CB 1.727 42 residues pruned to eliminate duplicates Z: 37 51.439 2.330 0.851 0.633 0.972 0.583 CB 1.806 37 residues pruned to eliminate duplicates Z: 79 58.894 2.218 0.799 0.570 0.936 0.692 CB 1.670 79 residues pruned to eliminate duplicates Z: 18 18.061 2.053 0.447 0.525 0.941 0.412 CA 1.528 18 residues pruned to eliminate duplicates Z: 36 42.007 2.256 0.862 0.662 0.857 0.600 CB 1.697 36 residues pruned to eliminate duplicates Z: 36 51.876 2.326 0.850 0.673 0.971 0.629 CB 1.787 36 residues pruned to eliminate duplicates Z: 48 42.133 2.265 0.709 0.535 0.915 0.596 CB 1.676 48 residues pruned to eliminate duplicates Z: 17 17.515 2.045 0.408 0.587 0.938 0.500 CB 1.491 17 residues pruned to eliminate duplicates Z: 49 45.308 2.262 0.791 0.564 0.958 0.583 CB 1.583 49 residues pruned to eliminate duplicates Z: 38 46.935 2.276 0.835 0.641 0.946 0.649 CB 1.711 38 residues pruned to eliminate duplicates Z: 16 18.790 2.134 0.560 0.533 0.933 0.467 CB 1.512 16 residues pruned to eliminate duplicates Z: 16 18.780 1.985 0.576 0.544 0.933 0.400 CB 1.591 16 residues pruned to eliminate duplicates Z: 47 49.009 2.329 0.778 0.565 0.957 0.609 CB 1.714 47 residues pruned to eliminate duplicates Z: 39 46.012 2.228 0.810 0.633 0.947 0.658 CB 1.724 39 residues pruned to eliminate duplicates Z: 66 51.086 2.236 0.731 0.579 0.892 0.554 CB 1.699 66 residues pruned to eliminate duplicates Z: 146 76.644 2.278 0.647 0.601 0.917 0.634 CB 1.679 146 residues pruned to eliminate duplicates Z: 78 56.610 2.297 0.756 0.551 0.883 0.610 CB 1.723 78 residues pruned to eliminate duplicates Z: 65 49.477 2.303 0.508 0.604 0.922 0.672 CB 1.749 65 residues pruned to eliminate duplicates Z: 62 47.773 2.297 0.444 0.617 0.934 0.689 CB 1.767 62 residues pruned to eliminate duplicates Z: 28 33.476 2.331 0.717 0.637 0.815 0.667 CB 1.738 28 residues pruned to eliminate duplicates Z: 99 61.011 2.275 0.542 0.645 0.918 0.694 CB 1.670 99 residues pruned to eliminate duplicates Z: 17 29.376 2.255 0.643 0.737 0.938 0.750 CB 1.710 17 residues pruned to eliminate duplicates Z: 15 38.975 2.392 0.694 0.841 1.000 1.000 CB 1.917 15 residues pruned to eliminate duplicates Z: 26 41.598 2.377 0.715 0.754 0.880 0.720 CB 1.850 26 residues pruned to eliminate duplicates Z: 98 65.955 2.305 0.630 0.654 0.928 0.660 CB 1.665 98 residues pruned to eliminate duplicates Z: 30 37.271 2.340 0.777 0.623 0.862 0.655 CB 1.719 30 residues pruned to eliminate duplicates Z: 15 46.747 2.412 1.031 0.845 1.000 0.857 CB 1.897 15 residues pruned to eliminate duplicates Z: 41 42.123 2.321 0.616 0.572 0.925 0.650 CB 1.791 41 residues pruned to eliminate duplicates Z: 99 63.105 2.288 0.565 0.641 0.918 0.694 CB 1.698 99 residues pruned to eliminate duplicates Z: 76 61.437 2.301 0.921 0.560 0.893 0.573 CB 1.695 76 residues pruned to eliminate duplicates Z: 99 66.038 2.288 0.629 0.642 0.949 0.663 CB 1.651 99 residues pruned to eliminate duplicates Z: 85 54.688 2.210 0.634 0.584 0.917 0.619 CB 1.663 85 residues pruned to eliminate duplicates Z: 48 50.497 2.322 0.692 0.629 0.936 0.660 CB 1.773 48 residues pruned to eliminate duplicates Z: 122 70.630 2.245 0.708 0.602 0.893 0.628 CB 1.702 122 residues pruned to eliminate duplicates Z: 99 65.420 2.269 0.679 0.651 0.898 0.643 CB 1.679 99 residues pruned to eliminate duplicates Z: 66 53.891 2.253 0.686 0.639 0.923 0.631 CB 1.674 66 residues pruned to eliminate duplicates Z: 58 55.334 2.307 0.700 0.643 0.930 0.702 CB 1.759 58 residues pruned to eliminate duplicates Z: 50 36.947 2.259 0.416 0.573 0.918 0.571 CB 1.674 50 residues pruned to eliminate duplicates Z: 100 63.424 2.259 0.663 0.645 0.899 0.687 CB 1.648 100 residues pruned to eliminate duplicates Z: 29 27.050 2.194 0.806 0.522 0.821 0.607 CB 1.537 29 residues pruned to eliminate duplicates Z: 37 40.870 2.212 0.812 0.697 0.944 0.750 CB 1.503 37 residues pruned to eliminate duplicates Z: 20 29.362 2.105 0.685 0.655 1.000 0.684 CB 1.644 Z: 13 24.368 2.070 0.498 0.872 1.000 0.667 CB 1.654 13 residues pruned to eliminate duplicates Z: 34 31.137 2.060 0.807 0.571 0.879 0.515 CB 1.547 54 residues pruned to eliminate duplicates Z: 17 29.930 2.273 0.616 0.727 1.000 0.875 CB 1.661 17 residues pruned to eliminate duplicates Z: 99 70.406 2.282 0.744 0.659 0.929 0.704 CB 1.661 99 residues pruned to eliminate duplicates Z: 95 62.128 2.236 0.711 0.634 0.926 0.691 CB 1.596 95 residues pruned to eliminate duplicates Z: 19 28.815 2.083 0.749 0.715 1.000 0.778 CB 1.534 19 residues pruned to eliminate duplicates Z: 99 73.773 2.279 0.755 0.667 0.949 0.653 CB 1.682 99 residues pruned to eliminate duplicates Z: 37 33.487 2.156 0.748 0.610 0.833 0.694 CB 1.601 37 residues pruned to eliminate duplicates Z: 36 43.082 2.264 0.805 0.710 0.943 0.714 CB 1.562 36 residues pruned to eliminate duplicates Z: 20 24.132 2.105 0.563 0.652 0.895 0.737 CB 1.633 20 residues pruned to eliminate duplicates 450 residues left after pruning, divided into chains as follows: A: 233 B: 11 C: 206 CC for partial structure against native data = 39.54 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.382, Connect. = 0.753 for dens.mod. cycle 1 = 0.300, Contrast = 0.429, Connect. = 0.772 for dens.mod. cycle 2 = 0.300, Contrast = 0.511, Connect. = 0.801 for dens.mod. cycle 3 = 0.300, Contrast = 0.514, Connect. = 0.802 for dens.mod. cycle 4 = 0.300, Contrast = 0.522, Connect. = 0.804 for dens.mod. cycle 5 = 0.300, Contrast = 0.527, Connect. = 0.805 for dens.mod. cycle 6 = 0.300, Contrast = 0.532, Connect. = 0.807 for dens.mod. cycle 7 = 0.300, Contrast = 0.536, Connect. = 0.808 for dens.mod. cycle 8 = 0.300, Contrast = 0.540, Connect. = 0.809 for dens.mod. cycle 9 = 0.300, Contrast = 0.543, Connect. = 0.809 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.30 - 2.61 - 2.28 - 2.07 - 1.92 - 1.80 - 1.71 - 1.64 - 1.57 - 1.51 0.665 0.691 0.731 0.718 0.687 0.647 0.628 0.617 0.589 0.546 0.851 0.856 0.887 0.873 0.841 0.794 0.767 0.743 0.707 0.651 N 7274 7261 7153 7268 7291 7685 7258 6812 8052 6203 Estimated mean FOM = 0.653 Pseudo-free CC = 67.61 % Best trace (cycle 1 with CC 41.16%) was saved as ./2hi0-1.5-parrot-noncs/2hi0-1.5-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.6 - Setup, data input and phasing 7.6 - FFTs and peak-searches 22.1 - Sphere of influence 0.7 - Rest of density modification 0.0 - Alpha-helix search 2108.1 - Tripeptide search 10684.4 - Chain tracing 0.0 - NCS analysis 34.9 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 01:49:42 Total time: 12858.66 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 215.31 Used memory is bytes: 5580120