++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:16:51 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: ./2od6-1.8-parrot-noncs/2od6-1.8-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2od6-1.8-parrot-noncs/2od6-1.8-parrot-noncs.ins Phases from ./2od6-1.8-parrot-noncs/2od6-1.8-parrot-noncs.phi Native data from ./2od6-1.8-parrot-noncs/2od6-1.8-parrot-noncs.hkl Listing output to ./2od6-1.8-parrot-noncs/2od6-1.8-parrot-noncs.lst Phases output to ./2od6-1.8-parrot-noncs/2od6-1.8-parrot-noncs.phs Poly-Ala trace output to ./2od6-1.8-parrot-noncs/2od6-1.8-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 21 21 21 Allowed origin shift code: 4 42952 Reflections read from file ./2od6-1.8-parrot-noncs/2od6-1.8-parrot-noncs.phi 42952 Reflections read from file ./2od6-1.8-parrot-noncs/2od6-1.8-parrot-noncs.hkl 42952 Unique data, highest resolution = 1.849 Angstroms Anisotropic scaling: intensities multiplied by 0.007623h^2 -0.000405k^2 -0.000077l^2 +0.000000kl +0.000000hl +0.000000hk 75 Reflections with d > 2.049 and 0 in range 2.049 > d > 1.849 added Density sharpening factor set to 0.98 Fourier grid = 64 x 256 x 60 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.720 = 0.256, Contrast = 0.076, Connect. = 0.575 for dens.mod. cycle 1 = 0.265, Contrast = 0.233, Connect. = 0.626 for dens.mod. cycle 2 = 0.271, Contrast = 0.394, Connect. = 0.720 for dens.mod. cycle 3 = 0.281, Contrast = 0.462, Connect. = 0.749 for dens.mod. cycle 4 = 0.292, Contrast = 0.500, Connect. = 0.762 for dens.mod. cycle 5 = 0.298, Contrast = 0.522, Connect. = 0.768 for dens.mod. cycle 6 = 0.300, Contrast = 0.536, Connect. = 0.772 for dens.mod. cycle 7 = 0.300, Contrast = 0.550, Connect. = 0.776 for dens.mod. cycle 8 = 0.300, Contrast = 0.561, Connect. = 0.779 for dens.mod. cycle 9 = 0.300, Contrast = 0.568, Connect. = 0.781 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2282 peaks > 0.5 sigma used to seed fragment search Space for about 538 unique residues taking solvent into account 574 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 30.101 2.092 0.766 0.938 1.000 1.000 CB 1.416 B: 53 52.171 2.099 1.066 0.671 0.923 0.615 CB 1.543 C: 42 41.270 2.116 0.734 0.736 0.951 0.732 CB 1.494 42 residues pruned to eliminate duplicates D: 33 31.816 1.961 0.699 0.798 0.969 0.750 CB 1.342 E: 42 36.885 2.010 0.898 0.623 0.927 0.683 CB 1.450 F: 55 42.007 2.047 0.815 0.695 0.926 0.704 CB 1.391 G: 30 38.939 2.144 1.123 0.774 0.931 0.655 CB 1.339 32 residues pruned to eliminate duplicates H: 16 37.825 2.109 1.059 0.930 1.000 0.733 CB 1.573 I: 27 36.094 2.101 0.913 0.893 0.962 0.654 CB 1.315 J: 16 34.264 2.118 1.062 0.919 1.000 0.533 CB 1.428 17 residues pruned to eliminate duplicates K: 29 31.803 2.003 0.678 0.833 0.964 0.750 CB 1.391 29 residues pruned to eliminate duplicates L: 11 16.260 2.033 0.400 0.776 0.900 0.800 CB 1.572 M: 84 65.617 2.105 0.976 0.692 0.952 0.711 CB 1.527 69 residues pruned to eliminate duplicates N: 82 63.313 2.124 0.907 0.711 0.963 0.741 CB 1.489 82 residues pruned to eliminate duplicates O: 18 27.167 1.955 1.000 0.891 0.941 0.882 CB 1.287 18 residues pruned to eliminate duplicates P: 53 44.598 2.058 0.924 0.711 0.923 0.615 CB 1.398 56 residues pruned to eliminate duplicates Q: 27 26.481 2.080 0.556 0.898 0.923 0.731 CB 1.244 27 residues pruned to eliminate duplicates R: 18 31.954 1.971 0.921 0.906 1.000 0.941 CA 1.456 18 residues pruned to eliminate duplicates S: 19 29.792 2.046 1.082 0.864 0.889 0.556 CB 1.360 19 residues pruned to eliminate duplicates T: 28 27.493 1.987 1.141 0.507 0.889 0.556 CA 1.389 28 residues pruned to eliminate duplicates U: 27 46.903 2.096 0.976 0.907 1.000 0.846 CB 1.578 27 residues pruned to eliminate duplicates V: 26 39.701 2.047 1.090 0.878 0.960 0.520 CB 1.403 26 residues pruned to eliminate duplicates W: 53 51.125 2.112 0.935 0.715 0.962 0.635 CB 1.485 53 residues pruned to eliminate duplicates X: 26 38.988 2.087 0.982 0.876 0.960 0.760 CB 1.427 26 residues pruned to eliminate duplicates Y: 15 19.155 1.984 0.728 0.572 1.000 0.786 CA 1.394 15 residues pruned to eliminate duplicates Z: 10 8.010 2.006 0.800 0.298 0.778 0.667 CB 1.191 9 residues pruned to eliminate duplicates Z: 16 34.813 2.046 1.002 0.930 1.000 1.000 CA 1.535 16 residues pruned to eliminate duplicates Z: 32 30.760 1.959 0.791 0.743 0.968 0.806 CB 1.309 32 residues pruned to eliminate duplicates Z: 41 39.754 2.052 1.097 0.642 0.950 0.700 CB 1.346 42 residues pruned to eliminate duplicates Z: 40 51.443 2.112 1.118 0.777 0.949 0.615 CB 1.520 40 residues pruned to eliminate duplicates Z: 17 27.398 2.014 1.062 0.912 0.938 0.750 CB 1.246 17 residues pruned to eliminate duplicates Z: 56 45.142 2.026 0.893 0.707 0.927 0.618 CB 1.418 56 residues pruned to eliminate duplicates Z: 28 37.383 2.029 0.907 0.898 0.926 0.556 CB 1.436 28 residues pruned to eliminate duplicates Z: 41 42.785 2.063 0.984 0.744 0.950 0.675 CB 1.398 25 residues pruned to eliminate duplicates Z: 50 36.294 1.973 0.765 0.728 0.918 0.653 CB 1.321 33 residues pruned to eliminate duplicates Z: 17 24.648 2.089 0.578 0.906 1.000 0.750 CB 1.330 17 residues pruned to eliminate duplicates Z: 27 29.111 2.116 0.656 0.900 0.962 0.808 CB 1.211 27 residues pruned to eliminate duplicates Z: 28 29.408 2.066 0.692 0.904 0.963 0.630 CB 1.198 28 residues pruned to eliminate duplicates Z: 81 58.989 2.102 0.903 0.704 0.963 0.750 CB 1.422 84 residues pruned to eliminate duplicates Z: 23 13.152 1.901 0.814 0.575 0.818 0.545 CB 0.924 11 residues pruned to eliminate duplicates Z: 42 41.795 2.129 0.823 0.775 0.951 0.634 CB 1.386 42 residues pruned to eliminate duplicates Z: 27 28.054 1.866 0.968 0.751 1.000 0.885 CB 1.198 27 residues pruned to eliminate duplicates Z: 17 33.576 2.015 0.931 0.908 1.000 0.688 CB 1.531 16 residues pruned to eliminate duplicates Z: 20 26.300 2.126 0.762 0.878 0.842 0.789 CB 1.388 20 residues pruned to eliminate duplicates Z: 27 36.200 2.051 0.835 0.854 1.000 0.731 CB 1.394 27 residues pruned to eliminate duplicates Z: 16 26.196 2.116 0.548 0.901 1.000 0.933 CB 1.474 16 residues pruned to eliminate duplicates Z: 32 39.987 2.169 0.883 0.763 0.935 0.742 CB 1.488 32 residues pruned to eliminate duplicates Z: 11 20.027 2.026 0.504 0.848 1.000 0.800 CB 1.542 11 residues pruned to eliminate duplicates Z: 26 35.768 2.080 0.686 0.894 0.920 0.680 CB 1.590 26 residues pruned to eliminate duplicates Z: 83 56.202 2.067 0.858 0.651 0.927 0.707 CB 1.514 83 residues pruned to eliminate duplicates Z: 28 26.588 2.065 0.722 0.900 0.889 0.444 CB 1.156 28 residues pruned to eliminate duplicates Z: 30 43.828 2.084 1.105 0.667 0.966 0.862 CB 1.646 17 residues pruned to eliminate duplicates Z: 26 36.151 2.164 0.991 0.918 0.960 0.680 CB 1.233 26 residues pruned to eliminate duplicates Z: 18 25.016 1.955 0.893 0.916 0.941 0.706 CB 1.230 18 residues pruned to eliminate duplicates Z: 19 31.104 2.065 0.825 0.900 0.944 0.889 CB 1.470 19 residues pruned to eliminate duplicates Z: 30 41.150 2.162 0.966 0.697 0.966 0.793 CB 1.556 30 residues pruned to eliminate duplicates Z: 18 28.372 2.097 0.930 0.902 0.941 0.765 CB 1.288 18 residues pruned to eliminate duplicates Z: 32 37.280 2.105 0.891 0.751 0.935 0.774 CB 1.437 32 residues pruned to eliminate duplicates Z: 14 22.973 1.898 0.927 0.926 1.000 0.846 CB 1.222 Z: 12 14.844 1.816 0.561 0.756 1.000 0.727 CB 1.257 12 residues pruned to eliminate duplicates Z: 9 13.518 2.117 0.398 0.756 0.875 0.625 CB 1.469 9 residues pruned to eliminate duplicates Z: 25 34.846 2.000 1.047 0.761 1.000 0.875 CB 1.377 39 residues pruned to eliminate duplicates Z: 42 34.114 2.075 0.732 0.657 0.878 0.707 CB 1.460 40 residues pruned to eliminate duplicates Z: 26 35.019 2.081 0.768 0.918 1.000 0.680 CB 1.342 26 residues pruned to eliminate duplicates Z: 27 36.527 2.078 0.753 0.918 0.962 0.654 CB 1.442 27 residues pruned to eliminate duplicates Z: 27 39.809 2.061 0.942 0.926 1.000 0.615 CB 1.368 27 residues pruned to eliminate duplicates Z: 45 49.305 2.078 1.017 0.674 0.955 0.750 CB 1.582 81 residues pruned to eliminate duplicates Z: 75 54.212 2.069 0.891 0.643 0.959 0.716 CB 1.468 75 residues pruned to eliminate duplicates Z: 18 35.045 2.024 1.111 0.894 1.000 0.706 CB 1.427 18 residues pruned to eliminate duplicates Z: 17 20.836 1.959 0.825 0.637 0.938 0.750 CB 1.368 17 residues pruned to eliminate duplicates Z: 16 26.337 2.054 1.103 0.677 0.933 0.867 CA 1.434 16 residues pruned to eliminate duplicates Z: 15 18.953 1.807 0.734 0.932 1.000 0.857 CB 1.129 16 residues pruned to eliminate duplicates Z: 26 41.046 2.172 0.822 0.904 0.960 0.600 CB 1.540 26 residues pruned to eliminate duplicates Z: 42 41.557 2.135 0.854 0.733 0.951 0.634 CB 1.398 42 residues pruned to eliminate duplicates Z: 64 45.748 2.007 0.934 0.603 0.952 0.667 CB 1.413 64 residues pruned to eliminate duplicates Z: 17 20.866 1.745 0.895 0.914 1.000 0.812 CB 1.116 Z: 16 16.863 1.701 0.449 0.940 1.000 0.933 CB 1.227 16 residues pruned to eliminate duplicates Z: 17 30.646 2.085 1.080 0.944 1.000 0.688 CB 1.223 17 residues pruned to eliminate duplicates Z: 10 16.945 2.012 0.936 0.864 0.889 0.556 CB 1.196 10 residues pruned to eliminate duplicates Z: 82 63.229 2.130 0.961 0.673 0.951 0.704 CB 1.508 82 residues pruned to eliminate duplicates Z: 14 15.901 1.908 1.050 0.479 0.923 0.462 CB 1.247 Z: 23 36.693 2.049 1.048 0.760 1.000 0.909 CB 1.481 23 residues pruned to eliminate duplicates Z: 27 29.146 1.885 0.862 0.902 0.962 0.500 CB 1.209 27 residues pruned to eliminate duplicates Z: 26 34.032 2.000 0.851 0.892 0.920 0.800 CB 1.436 26 residues pruned to eliminate duplicates Z: 49 47.303 2.027 1.163 0.658 0.938 0.583 CB 1.434 26 residues pruned to eliminate duplicates Z: 16 37.770 2.126 0.999 0.951 1.000 0.733 CB 1.582 16 residues pruned to eliminate duplicates Z: 8 10.327 1.855 0.991 0.710 0.857 0.714 CA 1.019 Z: 80 56.511 2.100 0.906 0.671 0.937 0.658 CB 1.448 81 residues pruned to eliminate duplicates Z: 17 30.488 2.042 0.912 0.872 1.000 0.750 CB 1.423 17 residues pruned to eliminate duplicates Z: 28 33.566 2.026 0.855 0.898 0.963 0.556 CB 1.277 28 residues pruned to eliminate duplicates Z: 27 23.814 1.950 0.737 0.521 0.962 0.654 CB 1.404 24 residues pruned to eliminate duplicates Z: 45 32.928 1.966 0.812 0.748 0.932 0.591 CB 1.198 45 residues pruned to eliminate duplicates Z: 36 34.977 2.062 0.917 0.666 0.886 0.714 CB 1.448 36 residues pruned to eliminate duplicates Z: 83 61.572 2.114 0.973 0.667 0.927 0.768 CB 1.508 83 residues pruned to eliminate duplicates Z: 29 35.775 2.000 0.794 0.851 0.964 0.786 CB 1.447 29 residues pruned to eliminate duplicates Z: 27 35.229 1.962 1.026 0.807 1.000 0.885 CB 1.330 27 residues pruned to eliminate duplicates Z: 11 14.428 1.974 0.885 0.486 0.800 0.700 CB 1.555 Z: 12 13.330 1.770 1.080 0.435 0.818 0.636 CA 1.427 Z: 27 41.367 2.076 0.955 0.911 1.000 0.692 CB 1.417 27 residues pruned to eliminate duplicates Z: 10 13.606 2.023 0.768 0.854 0.778 0.556 CB 1.204 10 residues pruned to eliminate duplicates Z: 28 40.787 2.036 0.889 0.880 1.000 0.741 CB 1.479 28 residues pruned to eliminate duplicates Z: 24 39.179 2.055 1.149 0.786 1.000 0.826 CB 1.439 25 residues pruned to eliminate duplicates Z: 28 37.142 2.059 0.840 0.876 0.963 0.704 CB 1.424 28 residues pruned to eliminate duplicates Z: 45 42.264 2.082 0.915 0.661 0.955 0.773 CB 1.442 40 residues pruned to eliminate duplicates Z: 27 37.020 2.067 0.844 0.915 0.962 0.500 CB 1.400 27 residues pruned to eliminate duplicates Z: 14 15.627 1.880 0.979 0.584 0.923 0.846 CA 1.164 14 residues pruned to eliminate duplicates Z: 31 40.917 2.114 1.024 0.778 0.967 0.833 CB 1.413 31 residues pruned to eliminate duplicates Z: 29 36.425 2.028 0.804 0.880 0.964 0.750 CB 1.413 29 residues pruned to eliminate duplicates Z: 23 19.883 1.934 0.894 0.478 0.864 0.727 CB 1.371 84 residues pruned to eliminate duplicates Z: 9 13.066 1.962 0.660 0.816 0.875 0.625 CB 1.232 9 residues pruned to eliminate duplicates Z: 17 18.822 1.848 0.941 0.538 0.875 0.625 CA 1.444 8 residues pruned to eliminate duplicates Z: 18 19.159 2.071 0.944 0.446 0.882 0.647 CB 1.383 18 residues pruned to eliminate duplicates Z: 28 33.078 2.077 0.662 0.678 1.000 0.852 CB 1.565 28 residues pruned to eliminate duplicates Z: 15 22.291 1.872 1.039 0.892 0.929 0.714 CB 1.207 16 residues pruned to eliminate duplicates Z: 18 24.346 1.978 0.869 0.862 0.941 0.294 CB 1.246 18 residues pruned to eliminate duplicates Z: 19 23.591 1.921 1.032 0.550 0.944 0.667 CB 1.437 19 residues pruned to eliminate duplicates Z: 14 12.710 1.802 0.200 0.914 1.000 0.923 CB 1.154 14 residues pruned to eliminate duplicates Z: 18 26.708 2.146 0.653 0.891 0.941 0.824 CB 1.395 18 residues pruned to eliminate duplicates Z: 28 42.768 2.137 1.121 0.723 0.889 0.852 CB 1.671 28 residues pruned to eliminate duplicates Z: 22 14.573 1.784 0.837 0.405 0.810 0.619 CB 1.324 15 residues pruned to eliminate duplicates Z: 17 37.966 2.051 1.090 0.929 1.000 0.875 CB 1.550 17 residues pruned to eliminate duplicates Z: 14 14.252 1.831 0.846 0.475 0.846 0.385 CB 1.418 Z: 17 24.052 2.023 0.825 0.900 0.938 0.688 CB 1.240 17 residues pruned to eliminate duplicates Z: 41 44.142 2.092 0.946 0.678 0.925 0.700 CB 1.573 41 residues pruned to eliminate duplicates Z: 29 36.514 2.003 0.900 0.856 0.964 0.821 CB 1.387 29 residues pruned to eliminate duplicates Z: 53 49.325 2.119 0.906 0.712 0.942 0.692 CB 1.484 54 residues pruned to eliminate duplicates Z: 28 35.462 2.011 0.746 0.905 0.963 0.704 CB 1.436 28 residues pruned to eliminate duplicates Z: 9 4.249 1.635 0.441 0.407 0.875 0.500 CB 0.804 9 residues pruned to eliminate duplicates Z: 28 48.495 2.124 1.123 0.729 1.000 0.889 CA 1.684 28 residues pruned to eliminate duplicates Z: 28 37.405 2.198 0.913 0.764 0.926 0.889 CB 1.463 28 residues pruned to eliminate duplicates Z: 17 34.471 2.059 1.013 0.955 1.000 0.562 CB 1.429 17 residues pruned to eliminate duplicates Z: 45 41.417 2.034 0.939 0.700 0.909 0.705 CB 1.451 45 residues pruned to eliminate duplicates Z: 26 29.325 2.149 0.529 0.896 0.960 0.680 CB 1.332 26 residues pruned to eliminate duplicates Z: 50 49.013 2.049 0.921 0.752 0.959 0.776 CB 1.482 49 residues pruned to eliminate duplicates Z: 11 13.642 2.059 0.220 0.781 1.000 0.600 CB 1.340 11 residues pruned to eliminate duplicates Z: 10 17.965 2.083 0.666 0.867 0.889 0.667 CB 1.420 10 residues pruned to eliminate duplicates Z: 17 38.974 2.104 1.248 0.943 1.000 0.938 CB 1.428 17 residues pruned to eliminate duplicates Z: 51 24.530 1.865 0.668 0.586 0.880 0.520 CB 1.167 34 residues pruned to eliminate duplicates Z: 52 43.941 2.066 1.024 0.628 0.961 0.804 CB 1.358 52 residues pruned to eliminate duplicates Z: 24 28.462 1.920 0.788 0.836 1.000 0.609 CB 1.294 24 residues pruned to eliminate duplicates Z: 27 42.612 2.109 0.843 0.913 1.000 0.654 CB 1.522 27 residues pruned to eliminate duplicates Z: 11 18.392 2.069 0.504 0.809 0.900 0.600 CB 1.586 11 residues pruned to eliminate duplicates Z: 27 37.444 2.168 0.867 0.910 0.962 0.731 CB 1.338 27 residues pruned to eliminate duplicates Z: 27 32.417 1.974 0.851 0.691 1.000 0.731 CB 1.461 27 residues pruned to eliminate duplicates Z: 26 24.828 1.878 0.746 0.859 0.920 0.560 CB 1.210 26 residues pruned to eliminate duplicates Z: 26 35.291 1.985 0.989 0.766 1.000 0.880 CB 1.413 16 residues pruned to eliminate duplicates Z: 19 18.940 1.846 0.799 0.872 0.889 0.556 CB 1.102 19 residues pruned to eliminate duplicates Z: 22 29.571 2.063 0.773 0.922 1.000 0.810 CB 1.240 22 residues pruned to eliminate duplicates Z: 28 41.759 2.032 1.050 0.885 0.963 0.667 CB 1.446 28 residues pruned to eliminate duplicates Z: 31 27.046 2.030 0.930 0.467 0.933 0.700 CB 1.396 31 residues pruned to eliminate duplicates Z: 28 28.087 1.869 0.634 0.879 0.963 0.778 CB 1.333 28 residues pruned to eliminate duplicates Z: 15 9.779 1.738 0.833 0.413 0.929 0.571 CB 0.968 15 residues pruned to eliminate duplicates Z: 50 33.323 1.992 0.783 0.645 0.878 0.592 CB 1.333 50 residues pruned to eliminate duplicates Z: 18 35.649 1.970 1.276 0.882 1.000 0.412 CB 1.396 18 residues pruned to eliminate duplicates Z: 18 24.438 1.916 0.728 0.903 0.941 0.824 CB 1.356 18 residues pruned to eliminate duplicates Z: 10 19.133 2.073 0.799 0.882 0.889 0.889 CB 1.392 10 residues pruned to eliminate duplicates Z: 26 37.433 2.065 0.812 0.896 1.000 0.560 CB 1.433 26 residues pruned to eliminate duplicates Z: 16 30.244 2.197 1.023 0.936 1.000 0.667 CB 1.223 16 residues pruned to eliminate duplicates Z: 25 36.243 2.116 0.846 0.902 0.958 0.625 CB 1.410 25 residues pruned to eliminate duplicates Z: 28 33.088 1.997 0.878 0.865 0.889 0.704 CB 1.399 28 residues pruned to eliminate duplicates Z: 16 41.564 2.041 1.345 0.926 1.000 0.733 CB 1.573 16 residues pruned to eliminate duplicates Z: 28 34.313 2.037 0.732 0.861 0.926 0.667 CB 1.486 28 residues pruned to eliminate duplicates Z: 11 11.845 1.957 0.127 0.790 0.900 0.600 CB 1.463 11 residues pruned to eliminate duplicates Z: 19 31.166 2.010 0.877 0.905 0.944 0.889 CB 1.468 19 residues pruned to eliminate duplicates Z: 8 7.810 1.594 1.058 0.419 0.857 0.714 CB 1.143 Z: 16 23.711 2.125 0.708 0.853 1.000 0.867 CB 1.248 16 residues pruned to eliminate duplicates Z: 15 15.306 1.815 0.367 0.936 1.000 1.000 CB 1.149 15 residues pruned to eliminate duplicates Z: 41 47.459 2.092 1.015 0.792 0.950 0.675 CB 1.450 41 residues pruned to eliminate duplicates Z: 15 9.434 1.882 0.724 0.454 0.857 0.571 CB 0.950 15 residues pruned to eliminate duplicates Z: 27 43.376 2.119 0.896 0.894 1.000 0.731 CB 1.519 27 residues pruned to eliminate duplicates Z: 13 17.242 1.824 0.521 0.917 1.000 1.000 CB 1.266 13 residues pruned to eliminate duplicates Z: 11 24.541 2.158 0.943 0.719 1.000 0.900 CB 1.519 11 residues pruned to eliminate duplicates Z: 16 11.316 1.767 0.911 0.478 0.867 0.600 CB 1.021 16 residues pruned to eliminate duplicates Z: 18 20.105 1.923 0.524 0.904 1.000 0.706 CB 1.186 18 residues pruned to eliminate duplicates Z: 26 39.167 2.118 0.865 0.903 1.000 0.760 CB 1.413 26 residues pruned to eliminate duplicates Z: 27 26.777 1.886 0.709 0.885 1.000 0.615 CB 1.176 27 residues pruned to eliminate duplicates Z: 16 17.494 1.855 0.789 0.921 0.933 0.867 CB 1.027 16 residues pruned to eliminate duplicates Z: 27 42.220 2.027 1.061 0.907 1.000 0.769 CB 1.409 27 residues pruned to eliminate duplicates Z: 39 36.115 2.041 1.026 0.636 0.921 0.737 CB 1.354 39 residues pruned to eliminate duplicates Z: 11 12.780 1.890 0.534 0.852 1.000 0.700 CB 1.031 11 residues pruned to eliminate duplicates Z: 10 12.081 2.065 0.158 0.761 1.000 0.444 CB 1.336 10 residues pruned to eliminate duplicates Z: 53 44.457 2.121 0.865 0.683 0.962 0.615 CB 1.370 53 residues pruned to eliminate duplicates Z: 27 30.451 2.134 0.584 0.899 1.000 0.654 CB 1.262 27 residues pruned to eliminate duplicates Z: 17 29.642 2.015 0.695 0.906 1.000 0.938 CA 1.543 17 residues pruned to eliminate duplicates Z: 100 68.800 2.105 0.927 0.679 0.970 0.717 CB 1.491 107 residues pruned to eliminate duplicates Z: 28 31.700 2.007 0.607 0.818 0.963 0.667 CB 1.489 28 residues pruned to eliminate duplicates Z: 58 43.588 2.002 1.020 0.610 0.912 0.561 CB 1.410 58 residues pruned to eliminate duplicates Z: 15 36.333 2.207 1.038 0.925 1.000 0.786 CB 1.515 15 residues pruned to eliminate duplicates Z: 18 20.276 1.908 0.944 0.562 0.941 0.706 CA 1.327 18 residues pruned to eliminate duplicates Z: 17 32.460 2.076 1.011 0.939 0.938 0.875 CB 1.441 17 residues pruned to eliminate duplicates Z: 11 14.408 2.058 0.314 0.787 1.000 0.800 CB 1.310 11 residues pruned to eliminate duplicates Z: 8 9.473 2.027 0.210 0.877 1.000 0.857 CB 1.060 8 residues pruned to eliminate duplicates Z: 14 20.188 1.885 0.794 0.780 0.923 0.462 CB 1.401 14 residues pruned to eliminate duplicates Z: 17 34.078 2.113 1.124 0.937 1.000 0.812 CB 1.320 17 residues pruned to eliminate duplicates Z: 24 23.718 1.938 0.625 0.901 0.957 0.696 CB 1.172 24 residues pruned to eliminate duplicates Z: 13 12.517 1.803 0.662 0.569 0.917 0.583 CB 1.230 15 residues pruned to eliminate duplicates Z: 11 13.788 2.031 0.510 0.737 0.900 0.700 CB 1.277 11 residues pruned to eliminate duplicates Z: 28 33.976 1.986 0.761 0.881 0.963 0.704 CB 1.405 28 residues pruned to eliminate duplicates Z: 44 47.291 2.068 1.040 0.742 0.930 0.744 CB 1.480 44 residues pruned to eliminate duplicates Z: 15 16.107 1.787 0.614 0.936 1.000 0.929 CB 1.039 15 residues pruned to eliminate duplicates Z: 26 28.541 1.854 0.861 0.920 1.000 0.800 CB 1.165 26 residues pruned to eliminate duplicates Z: 83 62.574 2.105 0.997 0.699 0.951 0.659 CB 1.441 83 residues pruned to eliminate duplicates Z: 15 17.302 1.799 0.704 0.922 1.000 0.929 CB 1.061 15 residues pruned to eliminate duplicates Z: 17 26.508 2.054 0.502 0.916 1.000 0.938 CB 1.517 17 residues pruned to eliminate duplicates Z: 17 14.422 1.670 0.540 0.883 1.000 0.875 CB 1.014 17 residues pruned to eliminate duplicates Z: 26 30.905 1.988 0.912 0.750 1.000 0.800 CB 1.301 26 residues pruned to eliminate duplicates Z: 25 28.079 1.931 0.817 0.917 1.000 0.750 CB 1.152 25 residues pruned to eliminate duplicates Z: 65 37.629 1.964 0.850 0.595 0.922 0.641 CB 1.283 65 residues pruned to eliminate duplicates Z: 57 42.653 2.106 0.861 0.684 0.946 0.696 CB 1.298 57 residues pruned to eliminate duplicates Z: 9 6.475 1.729 -0.001 0.858 1.000 0.875 CB 0.976 Z: 8 18.455 2.146 0.758 0.855 0.857 0.571 CB 1.592 8 residues pruned to eliminate duplicates Z: 50 50.128 2.091 1.065 0.706 0.980 0.714 CB 1.404 50 residues pruned to eliminate duplicates Z: 42 34.376 2.137 0.615 0.736 0.927 0.610 CB 1.358 42 residues pruned to eliminate duplicates Z: 47 20.825 1.819 0.557 0.547 0.891 0.413 CB 1.161 47 residues pruned to eliminate duplicates Z: 46 31.556 1.958 0.707 0.722 0.911 0.667 CB 1.265 43 residues pruned to eliminate duplicates Z: 26 42.588 2.113 1.005 0.900 1.000 0.720 CB 1.436 26 residues pruned to eliminate duplicates Z: 28 34.870 2.055 1.112 0.858 0.926 0.519 CB 1.230 28 residues pruned to eliminate duplicates Z: 26 35.709 2.057 0.913 0.907 0.960 0.680 CB 1.344 26 residues pruned to eliminate duplicates Z: 16 18.278 1.921 0.716 0.525 0.933 0.667 CB 1.497 12 residues pruned to eliminate duplicates Z: 10 19.859 2.075 0.776 0.861 1.000 0.889 CB 1.320 10 residues pruned to eliminate duplicates Z: 82 67.683 2.141 1.024 0.696 0.951 0.728 CB 1.526 82 residues pruned to eliminate duplicates Z: 17 40.242 2.082 1.283 0.926 0.938 0.688 CB 1.583 17 residues pruned to eliminate duplicates Z: 33 39.527 2.159 0.741 0.759 1.000 0.719 CB 1.477 33 residues pruned to eliminate duplicates Z: 15 17.385 1.795 0.597 0.925 1.000 0.714 CB 1.138 15 residues pruned to eliminate duplicates Z: 56 45.316 2.088 0.936 0.685 0.909 0.636 CB 1.402 56 residues pruned to eliminate duplicates Z: 15 18.206 1.965 0.928 0.524 0.857 0.714 CB 1.463 15 residues pruned to eliminate duplicates Z: 17 36.401 2.104 1.227 0.917 1.000 0.812 CB 1.371 17 residues pruned to eliminate duplicates Z: 7 2.628 1.462 0.220 0.378 0.667 0.333 CB 1.028 7 residues pruned to eliminate duplicates Z: 6 7.264 1.798 0.478 0.602 0.800 0.600 N 1.386 6 residues pruned to eliminate duplicates Z: 8 10.756 1.911 0.485 0.545 1.000 0.429 N 1.370 Z: 26 38.491 2.103 0.819 0.895 1.000 0.840 CB 1.444 26 residues pruned to eliminate duplicates Z: 108 68.158 2.103 0.962 0.645 0.953 0.692 CB 1.463 108 residues pruned to eliminate duplicates Z: 17 28.087 2.080 0.709 0.939 1.000 0.938 CB 1.372 17 residues pruned to eliminate duplicates Z: 76 51.710 2.053 1.083 0.649 0.920 0.600 CB 1.321 76 residues pruned to eliminate duplicates Z: 80 62.669 2.118 1.021 0.699 0.962 0.684 CB 1.427 80 residues pruned to eliminate duplicates Z: 21 26.604 2.127 0.861 0.884 0.900 0.700 CB 1.206 21 residues pruned to eliminate duplicates Z: 27 36.664 2.141 0.791 0.875 0.885 0.577 CB 1.541 27 residues pruned to eliminate duplicates Z: 82 57.510 2.053 0.874 0.663 0.963 0.741 CB 1.482 63 residues pruned to eliminate duplicates Z: 17 27.554 2.013 0.997 0.915 0.938 0.875 CB 1.292 17 residues pruned to eliminate duplicates Z: 10 11.610 1.753 0.547 0.831 0.889 0.556 CB 1.206 10 residues pruned to eliminate duplicates Z: 45 54.039 2.089 1.193 0.687 0.932 0.773 CB 1.608 45 residues pruned to eliminate duplicates Z: 16 24.966 1.821 0.992 0.920 1.000 0.733 CB 1.252 16 residues pruned to eliminate duplicates Z: 51 33.102 1.958 0.702 0.712 0.940 0.700 CB 1.234 52 residues pruned to eliminate duplicates Z: 52 51.769 2.057 1.086 0.647 0.941 0.745 CB 1.565 53 residues pruned to eliminate duplicates Z: 15 17.497 1.828 0.757 0.894 1.000 0.786 CB 1.044 15 residues pruned to eliminate duplicates Z: 24 31.346 2.020 1.158 0.587 0.957 0.739 CB 1.442 24 residues pruned to eliminate duplicates Z: 33 36.388 2.039 1.029 0.678 0.938 0.812 CB 1.408 33 residues pruned to eliminate duplicates Z: 27 31.297 2.010 1.099 0.553 0.962 0.615 CB 1.437 27 residues pruned to eliminate duplicates Z: 36 24.722 1.832 0.817 0.531 0.943 0.543 CB 1.291 36 residues pruned to eliminate duplicates Z: 15 17.725 1.920 0.390 0.911 1.000 0.857 CB 1.258 15 residues pruned to eliminate duplicates Z: 11 14.236 1.908 0.677 0.776 1.000 0.900 CB 1.102 Z: 10 11.992 1.846 0.564 0.879 1.000 0.778 CB 1.004 10 residues pruned to eliminate duplicates Z: 28 28.274 1.968 0.682 0.860 0.889 0.444 CB 1.360 28 residues pruned to eliminate duplicates Z: 27 35.032 2.143 0.838 0.912 0.962 0.462 CB 1.284 27 residues pruned to eliminate duplicates Z: 14 21.815 1.810 1.099 0.901 1.000 0.846 CB 1.137 14 residues pruned to eliminate duplicates Z: 16 29.541 2.063 1.063 0.932 1.000 0.533 CB 1.252 16 residues pruned to eliminate duplicates Z: 14 5.871 1.562 0.717 0.485 0.692 0.692 CB 0.890 14 residues pruned to eliminate duplicates Z: 11 11.067 1.865 0.438 0.899 1.000 0.800 CB 0.933 11 residues pruned to eliminate duplicates Z: 18 24.482 1.954 0.928 0.909 0.941 0.529 CB 1.189 18 residues pruned to eliminate duplicates Z: 26 43.818 2.182 0.923 0.909 0.960 0.720 CB 1.544 26 residues pruned to eliminate duplicates Z: 53 48.911 2.030 0.960 0.733 0.962 0.712 CB 1.438 53 residues pruned to eliminate duplicates Z: 17 23.514 1.902 0.716 0.880 0.938 0.812 CB 1.392 17 residues pruned to eliminate duplicates Z: 10 8.955 1.763 0.826 0.569 1.000 0.889 N 0.867 Z: 28 35.877 2.070 0.867 0.847 0.926 0.556 CB 1.432 28 residues pruned to eliminate duplicates Z: 8 6.764 1.826 0.451 0.296 0.857 0.571 CB 1.414 Z: 56 43.794 2.114 0.838 0.675 0.945 0.618 CB 1.367 56 residues pruned to eliminate duplicates Z: 6 3.174 1.570 0.470 0.287 1.000 0.400 CA 0.782 Z: 25 28.912 1.955 0.878 0.901 1.000 0.708 CB 1.147 25 residues pruned to eliminate duplicates Z: 16 23.934 1.753 1.236 0.925 1.000 0.867 CB 1.107 17 residues pruned to eliminate duplicates Z: 53 50.053 2.071 0.909 0.743 0.981 0.750 CB 1.441 52 residues pruned to eliminate duplicates Z: 27 19.795 1.903 0.739 0.579 0.885 0.692 CB 1.229 27 residues pruned to eliminate duplicates Z: 12 16.141 1.951 0.790 0.613 1.000 0.636 CB 1.251 12 residues pruned to eliminate duplicates Z: 18 22.818 1.895 0.946 0.903 0.941 0.706 CB 1.136 18 residues pruned to eliminate duplicates Z: 26 33.769 2.037 0.771 0.908 0.960 0.480 CB 1.385 26 residues pruned to eliminate duplicates Z: 17 30.830 2.041 0.895 0.931 1.000 0.625 CB 1.392 17 residues pruned to eliminate duplicates Z: 15 19.688 1.799 0.863 0.922 1.000 0.857 CB 1.105 15 residues pruned to eliminate duplicates Z: 8 3.453 1.672 0.194 0.433 0.857 0.286 CB 0.817 Z: 15 16.889 1.823 0.476 0.944 1.000 1.000 CB 1.162 15 residues pruned to eliminate duplicates Z: 6 4.083 1.890 -0.386 0.755 1.000 0.800 CB 1.253 Z: 27 17.579 2.034 0.623 0.545 0.808 0.423 CB 1.237 27 residues pruned to eliminate duplicates Z: 14 11.881 1.957 0.571 0.508 0.769 0.538 CA 1.383 14 residues pruned to eliminate duplicates Z: 16 26.665 1.842 1.079 0.928 1.000 0.800 CB 1.258 16 residues pruned to eliminate duplicates Z: 14 13.512 1.874 0.780 0.485 0.846 0.615 CB 1.348 14 residues pruned to eliminate duplicates Z: 14 17.233 1.877 0.574 0.904 1.000 1.000 CB 1.152 14 residues pruned to eliminate duplicates Z: 18 16.442 1.847 0.824 0.559 0.882 0.706 CB 1.267 18 residues pruned to eliminate duplicates Z: 25 17.090 1.848 0.614 0.862 0.875 0.667 CB 0.981 25 residues pruned to eliminate duplicates Z: 29 19.646 1.815 0.944 0.465 0.821 0.571 CB 1.327 23 residues pruned to eliminate duplicates Z: 25 37.611 2.187 0.902 0.907 0.958 0.792 CB 1.369 25 residues pruned to eliminate duplicates Z: 27 34.535 2.074 0.684 0.908 0.962 0.500 CB 1.432 27 residues pruned to eliminate duplicates Z: 7 11.546 1.786 0.890 0.673 0.833 0.667 CB 1.429 9 residues pruned to eliminate duplicates Z: 26 31.346 1.893 1.020 0.734 0.960 0.800 CB 1.384 26 residues pruned to eliminate duplicates Z: 20 14.365 1.740 1.000 0.508 0.842 0.579 CB 1.116 20 residues pruned to eliminate duplicates Z: 6 5.300 1.589 0.821 0.627 0.800 0.800 CB 0.909 Z: 8 12.507 1.978 0.276 0.884 1.000 0.857 CB 1.354 8 residues pruned to eliminate duplicates Z: 31 25.451 1.891 0.621 0.772 0.967 0.833 CB 1.233 31 residues pruned to eliminate duplicates Z: 18 19.450 1.736 0.667 0.900 0.941 0.824 CB 1.238 18 residues pruned to eliminate duplicates Z: 15 18.664 1.837 0.702 0.926 1.000 0.929 CB 1.119 15 residues pruned to eliminate duplicates Z: 72 49.419 1.977 0.962 0.616 0.944 0.662 CB 1.436 72 residues pruned to eliminate duplicates Z: 9 2.618 1.444 0.144 0.417 0.750 0.500 CB 0.815 Z: 27 28.485 1.930 0.834 0.716 0.962 0.846 CB 1.350 27 residues pruned to eliminate duplicates Z: 32 36.535 2.077 0.894 0.742 0.935 0.839 CB 1.435 32 residues pruned to eliminate duplicates Z: 19 20.404 1.913 0.853 0.627 0.889 0.722 CB 1.354 19 residues pruned to eliminate duplicates Z: 26 19.758 1.881 0.872 0.459 0.920 0.640 CB 1.272 24 residues pruned to eliminate duplicates Z: 13 13.875 1.851 0.706 0.570 0.917 0.750 CB 1.293 Z: 8 5.244 1.753 -0.273 0.639 1.000 0.714 CB 1.366 Z: 13 24.723 1.870 1.066 0.834 1.000 0.583 CB 1.385 13 residues pruned to eliminate duplicates Z: 11 15.737 1.847 0.870 0.825 0.900 0.800 CB 1.207 11 residues pruned to eliminate duplicates Z: 16 22.454 1.781 1.137 0.897 1.000 0.600 CB 1.090 16 residues pruned to eliminate duplicates Z: 6 4.273 1.740 0.520 0.638 1.000 0.800 CB 0.635 Z: 7 16.383 2.135 0.621 0.895 1.000 0.500 CB 1.386 7 residues pruned to eliminate duplicates Z: 25 19.855 1.903 0.810 0.459 0.917 0.542 CB 1.339 25 residues pruned to eliminate duplicates Z: 8 8.624 1.761 0.710 0.454 0.857 0.286 CB 1.325 8 residues pruned to eliminate duplicates Z: 18 19.464 1.886 0.902 0.420 0.941 0.588 CB 1.520 18 residues pruned to eliminate duplicates Z: 26 33.125 2.052 0.740 0.869 1.000 0.720 CB 1.356 26 residues pruned to eliminate duplicates Z: 46 46.291 2.063 0.919 0.651 0.956 0.778 CB 1.585 46 residues pruned to eliminate duplicates Z: 6 4.558 1.592 0.186 0.613 0.800 0.800 CB 1.213 Z: 12 10.702 1.707 1.061 0.476 0.818 0.727 CB 1.149 6 residues pruned to eliminate duplicates Z: 10 11.191 1.887 0.495 0.867 0.889 0.444 CB 1.088 10 residues pruned to eliminate duplicates Z: 39 38.437 1.987 0.975 0.652 0.947 0.632 CB 1.456 39 residues pruned to eliminate duplicates Z: 9 9.368 1.449 0.667 0.787 1.000 0.875 CB 1.066 Z: 6 6.547 1.949 0.255 0.736 1.000 0.800 N 0.969 7 residues pruned to eliminate duplicates Z: 9 9.399 1.683 0.602 0.638 0.875 0.875 CA 1.238 8 residues pruned to eliminate duplicates Z: 17 20.848 1.740 0.831 0.916 1.000 0.875 CB 1.155 17 residues pruned to eliminate duplicates Z: 26 19.235 1.953 0.595 0.464 0.880 0.600 CB 1.456 26 residues pruned to eliminate duplicates Z: 12 10.397 1.733 0.424 0.888 1.000 1.000 CB 0.915 12 residues pruned to eliminate duplicates Z: 6 6.521 1.625 0.148 0.843 1.000 0.800 CB 1.164 Z: 9 10.561 1.796 0.742 0.445 1.000 0.625 CB 1.263 Z: 31 43.182 2.131 1.080 0.782 0.967 0.833 CB 1.435 31 residues pruned to eliminate duplicates Z: 22 30.700 2.023 0.912 0.756 1.000 0.762 CB 1.379 22 residues pruned to eliminate duplicates Z: 25 23.551 1.933 0.750 0.858 0.917 0.583 CB 1.141 25 residues pruned to eliminate duplicates Z: 7 13.788 1.872 1.148 0.842 1.000 1.000 N 1.043 Z: 25 30.835 1.978 0.819 0.751 1.000 0.875 CB 1.399 25 residues pruned to eliminate duplicates Z: 9 2.793 1.708 0.829 0.187 0.500 0.375 CB 0.919 9 residues pruned to eliminate duplicates Z: 16 28.471 2.085 0.964 0.903 0.867 0.667 CB 1.477 16 residues pruned to eliminate duplicates Z: 13 21.282 1.825 1.050 0.936 1.000 0.917 CB 1.143 13 residues pruned to eliminate duplicates Z: 10 11.622 1.955 0.278 0.764 1.000 0.778 CB 1.226 10 residues pruned to eliminate duplicates Z: 7 6.576 1.727 -0.077 0.813 1.000 0.833 CB 1.283 6 residues pruned to eliminate duplicates Z: 8 7.112 1.534 0.232 0.870 1.000 0.857 CB 1.038 6 residues pruned to eliminate duplicates Z: 17 15.344 1.806 0.852 0.394 0.938 0.500 CA 1.369 17 residues pruned to eliminate duplicates Z: 26 33.472 1.968 1.010 0.792 1.000 0.840 CB 1.310 26 residues pruned to eliminate duplicates Z: 50 29.623 1.893 0.734 0.649 0.939 0.673 CB 1.195 50 residues pruned to eliminate duplicates Z: 25 17.671 1.786 0.936 0.462 0.833 0.500 CB 1.301 64 residues pruned to eliminate duplicates Z: 48 47.364 2.134 0.884 0.711 0.979 0.660 CB 1.450 48 residues pruned to eliminate duplicates Z: 26 34.678 2.062 0.726 0.894 1.000 0.800 CB 1.397 26 residues pruned to eliminate duplicates Z: 6 3.839 1.601 0.260 0.304 1.000 0.600 CB 1.059 Z: 25 23.402 1.931 0.701 0.904 0.958 0.583 CB 1.081 25 residues pruned to eliminate duplicates Z: 11 12.700 2.047 0.193 0.789 1.000 0.800 CB 1.276 11 residues pruned to eliminate duplicates Z: 6 3.452 1.688 0.208 0.439 1.000 0.600 CB 0.807 6 residues pruned to eliminate duplicates Z: 14 16.953 1.926 0.906 0.474 0.923 0.538 CA 1.424 14 residues pruned to eliminate duplicates Z: 30 33.048 1.980 0.986 0.671 0.931 0.552 CB 1.431 30 residues pruned to eliminate duplicates Z: 42 42.863 2.103 0.843 0.745 0.951 0.683 CB 1.457 42 residues pruned to eliminate duplicates Z: 7 6.191 1.830 -0.012 0.807 1.000 1.000 CB 1.070 6 residues pruned to eliminate duplicates Z: 22 20.407 1.884 0.894 0.494 0.952 0.667 CB 1.317 30 residues pruned to eliminate duplicates Z: 26 36.279 2.045 0.817 0.909 1.000 0.680 CB 1.386 26 residues pruned to eliminate duplicates Z: 10 14.344 2.040 0.547 0.759 0.889 0.556 CB 1.354 10 residues pruned to eliminate duplicates Z: 11 3.503 1.540 0.116 0.413 0.700 0.500 CB 1.009 Z: 15 12.481 1.952 0.451 0.451 0.857 0.571 CB 1.445 15 residues pruned to eliminate duplicates Z: 27 31.158 2.048 0.894 0.879 0.885 0.577 CB 1.291 27 residues pruned to eliminate duplicates Z: 7 6.203 1.597 0.670 0.764 1.000 0.833 CB 0.751 7 residues pruned to eliminate duplicates Z: 11 4.539 1.348 0.254 0.374 0.900 0.600 CB 1.079 11 residues pruned to eliminate duplicates Z: 6 2.982 1.492 -0.198 0.546 1.000 0.600 CB 1.065 Z: 12 14.841 1.989 0.730 0.573 0.909 0.818 CB 1.333 12 residues pruned to eliminate duplicates Z: 17 17.506 1.951 1.011 0.434 0.938 0.500 CB 1.274 16 residues pruned to eliminate duplicates Z: 27 29.300 1.980 0.870 0.875 0.885 0.692 CB 1.276 27 residues pruned to eliminate duplicates Z: 28 33.487 2.041 0.869 0.877 0.926 0.593 CB 1.325 28 residues pruned to eliminate duplicates Z: 8 11.707 1.851 0.107 0.778 1.000 0.714 CB 1.688 6 residues pruned to eliminate duplicates Z: 27 37.884 2.104 0.873 0.880 1.000 0.577 CB 1.367 27 residues pruned to eliminate duplicates Z: 17 21.219 1.949 0.462 0.891 1.000 0.875 CA 1.338 17 residues pruned to eliminate duplicates Z: 6 3.249 1.615 -0.250 0.878 1.000 1.000 CB 0.870 6 residues pruned to eliminate duplicates Z: 29 28.277 1.801 0.959 0.704 1.000 0.679 CB 1.258 Z: 18 21.753 1.914 0.863 0.858 0.941 0.765 CB 1.157 18 residues pruned to eliminate duplicates Z: 66 49.935 1.979 1.023 0.645 0.954 0.631 CB 1.416 66 residues pruned to eliminate duplicates Z: 9 12.191 1.921 0.764 0.897 0.875 0.375 CB 1.040 9 residues pruned to eliminate duplicates Z: 30 24.679 1.949 0.672 0.569 0.931 0.690 CB 1.413 27 residues pruned to eliminate duplicates Z: 12 4.368 1.706 0.336 0.354 0.727 0.455 CB 0.930 12 residues pruned to eliminate duplicates Z: 6 6.751 1.868 -0.170 0.776 1.000 0.600 CB 1.526 6 residues pruned to eliminate duplicates Z: 8 6.216 1.719 -0.066 0.632 1.000 0.714 CB 1.293 6 residues pruned to eliminate duplicates Z: 20 18.566 1.819 0.696 0.494 0.947 0.684 CB 1.467 20 residues pruned to eliminate duplicates Z: 13 11.414 1.729 0.733 0.488 0.833 0.667 CB 1.336 6 0.872 1.411 0.163 0.451 0.800 0.600 CB 0.312 ? Z: 53 49.439 2.100 0.888 0.727 0.962 0.788 CB 1.465 53 residues pruned to eliminate duplicates Z: 25 40.402 2.121 0.923 0.890 1.000 0.667 CB 1.455 25 residues pruned to eliminate duplicates Z: 7 2.192 1.294 0.471 0.652 0.833 0.500 CB 0.489 Z: 16 15.332 1.861 0.798 0.481 0.933 0.600 CB 1.291 16 residues pruned to eliminate duplicates Z: 26 21.495 1.890 0.427 0.914 1.000 0.720 CB 1.127 26 residues pruned to eliminate duplicates Z: 41 37.199 2.030 0.866 0.619 0.950 0.700 CB 1.460 41 residues pruned to eliminate duplicates Z: 20 21.650 1.850 0.849 0.858 0.947 0.789 CB 1.129 20 residues pruned to eliminate duplicates Z: 15 17.807 1.777 0.616 0.939 1.000 1.000 CB 1.152 15 residues pruned to eliminate duplicates Z: 26 36.081 2.071 0.705 0.897 1.000 0.640 CB 1.463 26 residues pruned to eliminate duplicates Z: 7 4.176 1.461 1.061 0.418 0.667 0.500 CA 0.926 Z: 9 21.554 2.057 0.705 0.908 1.000 0.875 CB 1.544 9 residues pruned to eliminate duplicates Z: 46 44.681 2.089 0.889 0.682 0.933 0.711 CB 1.530 46 residues pruned to eliminate duplicates Z: 26 29.024 1.864 0.987 0.893 0.960 0.640 CB 1.171 26 residues pruned to eliminate duplicates Z: 6 8.066 1.940 -0.053 0.771 1.000 1.000 N 1.545 6 residues pruned to eliminate duplicates Z: 9 10.123 1.771 0.482 0.683 0.750 0.375 CA 1.537 9 residues pruned to eliminate duplicates Z: 42 43.122 2.043 0.911 0.635 1.000 0.707 CB 1.519 42 residues pruned to eliminate duplicates Z: 17 28.675 2.022 0.871 0.935 1.000 0.812 CB 1.320 17 residues pruned to eliminate duplicates Z: 6 2.330 1.607 0.335 0.667 1.000 0.600 CB 0.416 Z: 8 15.646 1.926 0.735 0.855 1.000 0.714 CB 1.306 8 residues pruned to eliminate duplicates Z: 9 4.692 1.676 0.164 0.428 1.000 0.500 CB 0.916 Z: 8 4.606 1.506 -0.127 0.709 1.000 1.000 C 1.095 8 residues pruned to eliminate duplicates Z: 12 6.961 1.610 0.585 0.328 0.818 0.545 CA 1.213 12 residues pruned to eliminate duplicates 7 1.427 1.489 0.575 0.511 1.000 0.667 CB 0.246 ? Z: 25 40.702 2.093 0.944 0.913 1.000 0.667 CB 1.445 25 residues pruned to eliminate duplicates Z: 12 15.767 2.048 0.474 0.867 1.000 0.545 CB 1.152 12 residues pruned to eliminate duplicates Z: 26 20.676 1.889 0.445 0.900 0.960 0.840 CB 1.128 26 residues pruned to eliminate duplicates Z: 70 41.977 1.941 0.794 0.710 0.942 0.638 CB 1.273 80 residues pruned to eliminate duplicates Z: 8 9.180 1.873 0.468 0.802 0.714 0.429 CB 1.357 8 residues pruned to eliminate duplicates Z: 8 15.088 1.877 1.124 0.635 1.000 0.857 CB 1.260 Z: 11 13.827 1.899 0.432 0.795 0.900 0.600 CB 1.379 11 residues pruned to eliminate duplicates Z: 7 2.641 1.623 -0.042 0.246 0.667 0.333 CA 1.395 Z: 13 20.115 1.923 0.720 0.891 0.917 0.917 CB 1.377 13 residues pruned to eliminate duplicates Z: 28 33.394 2.060 0.744 0.861 1.000 0.630 CB 1.314 28 residues pruned to eliminate duplicates Z: 28 46.986 2.098 1.129 0.732 1.000 0.852 CA 1.643 28 residues pruned to eliminate duplicates Z: 12 19.407 1.927 0.687 0.697 1.000 0.727 CA 1.504 12 residues pruned to eliminate duplicates Z: 8 11.579 1.791 0.682 0.756 1.000 1.000 CB 1.157 8 residues pruned to eliminate duplicates Z: 16 24.937 1.828 1.024 0.923 1.000 0.800 CB 1.223 17 residues pruned to eliminate duplicates Z: 12 9.377 1.683 0.784 0.552 0.818 0.636 CB 1.094 Z: 28 37.826 2.044 0.848 0.861 1.000 0.815 CB 1.416 28 residues pruned to eliminate duplicates Z: 7 14.729 1.843 1.176 0.863 1.000 1.000 CB 1.100 12 residues pruned to eliminate duplicates Z: 8 13.731 1.957 0.838 0.468 1.000 0.857 CA 1.490 8 residues pruned to eliminate duplicates Z: 10 36.857 2.202 1.424 0.874 1.000 1.000 CB 1.675 10 residues pruned to eliminate duplicates Z: 11 12.955 2.032 0.266 0.758 1.000 0.600 CB 1.266 11 residues pruned to eliminate duplicates Z: 6 5.289 1.700 0.549 0.411 0.800 0.600 CB 1.232 6 residues pruned to eliminate duplicates Z: 16 9.902 1.648 0.787 0.519 0.867 0.667 CB 0.983 16 residues pruned to eliminate duplicates Z: 11 8.832 1.748 0.364 0.743 1.000 0.600 CB 0.942 11 residues pruned to eliminate duplicates Z: 9 3.167 1.559 0.056 0.303 0.750 0.250 CB 1.129 9 residues pruned to eliminate duplicates Z: 36 26.671 1.936 0.815 0.647 0.886 0.743 CB 1.263 36 residues pruned to eliminate duplicates Z: 15 8.829 1.749 0.590 0.457 0.857 0.571 CB 1.035 15 residues pruned to eliminate duplicates Z: 6 3.139 1.560 0.521 0.490 0.800 0.800 CB 0.747 Z: 27 35.901 2.125 0.904 0.907 0.962 0.500 CB 1.287 27 residues pruned to eliminate duplicates Z: 25 21.493 1.931 0.867 0.602 0.833 0.708 CB 1.325 26 residues pruned to eliminate duplicates Z: 9 11.914 1.868 0.393 0.738 1.000 0.625 CB 1.307 9 residues pruned to eliminate duplicates Z: 15 8.719 1.784 0.652 0.481 0.786 0.571 N 1.025 10 residues pruned to eliminate duplicates Z: 6 6.926 1.552 0.934 0.510 0.800 0.600 CB 1.277 6 residues pruned to eliminate duplicates Z: 25 21.598 1.907 0.498 0.925 0.917 0.667 CB 1.181 25 residues pruned to eliminate duplicates Z: 32 31.616 1.947 0.925 0.658 0.968 0.774 CB 1.352 32 residues pruned to eliminate duplicates Z: 11 3.131 1.546 -0.045 0.206 0.800 0.500 CB 1.187 Z: 7 6.476 1.598 0.283 0.883 1.000 0.667 CB 0.932 7 residues pruned to eliminate duplicates Z: 15 18.931 1.844 0.605 0.928 1.000 0.857 CB 1.198 15 residues pruned to eliminate duplicates Z: 51 39.236 1.970 0.975 0.612 0.900 0.680 CB 1.425 51 residues pruned to eliminate duplicates Z: 56 31.061 1.898 0.699 0.691 0.909 0.673 CB 1.200 56 residues pruned to eliminate duplicates Z: 15 26.126 1.979 1.043 0.739 0.929 0.929 CB 1.501 15 residues pruned to eliminate duplicates Z: 12 17.013 1.903 0.605 0.643 1.000 0.727 CB 1.469 12 residues pruned to eliminate duplicates Z: 17 11.462 1.881 0.509 0.394 0.875 0.562 CB 1.289 17 residues pruned to eliminate duplicates Z: 9 7.625 1.614 0.534 0.438 1.000 0.750 CB 1.160 9 residues pruned to eliminate duplicates Z: 15 21.336 1.840 0.958 0.903 1.000 0.571 CB 1.129 15 residues pruned to eliminate duplicates Z: 26 25.764 1.918 0.665 0.908 0.960 0.640 CB 1.194 26 residues pruned to eliminate duplicates Z: 17 25.288 1.977 0.687 0.887 0.938 0.812 CA 1.458 17 residues pruned to eliminate duplicates Z: 24 25.943 1.940 0.686 0.911 1.000 0.783 CB 1.172 24 residues pruned to eliminate duplicates Z: 24 17.701 1.906 0.820 0.374 0.870 0.522 CB 1.400 24 residues pruned to eliminate duplicates Z: 6 2.115 1.245 0.531 0.590 0.800 0.600 O 0.569 Z: 40 42.088 2.160 0.869 0.806 0.949 0.692 CB 1.348 40 residues pruned to eliminate duplicates Z: 8 2.994 1.684 0.932 0.575 0.714 0.714 CB 0.453 Z: 6 5.871 1.445 0.427 0.820 1.000 0.800 CB 0.965 6 residues pruned to eliminate duplicates Z: 15 25.625 1.983 0.984 0.603 1.000 0.929 CB 1.578 15 residues pruned to eliminate duplicates Z: 14 21.214 1.802 0.903 0.941 1.000 0.769 CB 1.191 14 residues pruned to eliminate duplicates Z: 10 10.954 1.764 0.648 0.840 0.889 0.778 CB 1.054 10 residues pruned to eliminate duplicates Z: 11 5.376 1.676 -0.014 0.282 0.900 0.300 O 1.461 7 residues pruned to eliminate duplicates Z: 7 5.740 1.922 0.096 0.662 1.000 0.667 CB 0.957 7 residues pruned to eliminate duplicates Z: 39 39.708 2.113 0.830 0.775 1.000 0.737 CB 1.306 39 residues pruned to eliminate duplicates Z: 11 21.476 2.139 0.696 0.814 1.000 0.700 CB 1.425 11 residues pruned to eliminate duplicates 7 1.598 1.398 0.341 0.249 0.833 0.667 CB 0.558 ? Z: 53 53.849 2.073 1.057 0.746 0.962 0.712 CB 1.462 53 residues pruned to eliminate duplicates Z: 19 16.379 1.793 0.522 0.873 0.944 0.778 CB 1.091 19 residues pruned to eliminate duplicates 393 residues left after pruning, divided into chains as follows: A: 14 B: 108 C: 8 D: 11 E: 39 F: 27 G: 41 H: 33 I: 112 CC for partial structure against native data = 36.85 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.423, Connect. = 0.736 for dens.mod. cycle 1 = 0.300, Contrast = 0.484, Connect. = 0.755 for dens.mod. cycle 2 = 0.300, Contrast = 0.572, Connect. = 0.783 for dens.mod. cycle 3 = 0.300, Contrast = 0.577, Connect. = 0.784 for dens.mod. cycle 4 = 0.300, Contrast = 0.586, Connect. = 0.785 for dens.mod. cycle 5 = 0.300, Contrast = 0.589, Connect. = 0.786 for dens.mod. cycle 6 = 0.300, Contrast = 0.594, Connect. = 0.788 for dens.mod. cycle 7 = 0.300, Contrast = 0.597, Connect. = 0.789 for dens.mod. cycle 8 = 0.300, Contrast = 0.599, Connect. = 0.789 for dens.mod. cycle 9 = 0.300, Contrast = 0.601, Connect. = 0.790 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2316 peaks > 0.5 sigma used to seed fragment search Space for about 538 unique residues taking solvent into account 575 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 82 69.713 2.239 0.907 0.705 0.914 0.667 CB 1.648 B: 44 56.895 2.170 1.033 0.763 0.953 0.698 CB 1.633 C: 43 32.564 2.096 0.681 0.651 0.905 0.595 CB 1.370 D: 53 57.972 2.234 0.955 0.715 0.923 0.654 CB 1.641 53 residues pruned to eliminate duplicates E: 29 44.645 2.184 1.009 0.680 0.893 0.714 CB 1.825 F: 20 22.197 2.052 0.708 0.634 0.947 0.579 CB 1.353 19 residues pruned to eliminate duplicates G: 26 43.294 2.245 0.779 0.881 0.960 0.880 CB 1.636 29 residues pruned to eliminate duplicates H: 48 52.562 2.302 0.754 0.741 0.957 0.702 CB 1.598 I: 18 38.856 2.194 1.026 0.933 1.000 0.647 CB 1.480 17 residues pruned to eliminate duplicates J: 17 34.797 2.244 0.711 0.918 1.000 0.938 CB 1.597 17 residues pruned to eliminate duplicates K: 26 48.985 2.312 0.849 0.903 1.000 0.560 CB 1.633 26 residues pruned to eliminate duplicates L: 32 43.856 2.200 0.879 0.750 0.968 0.710 CB 1.575 32 residues pruned to eliminate duplicates M: 82 67.881 2.237 0.871 0.683 0.938 0.593 CB 1.623 83 residues pruned to eliminate duplicates N: 47 54.595 2.184 0.953 0.662 0.935 0.804 CB 1.738 76 residues pruned to eliminate duplicates O: 31 43.185 2.265 0.800 0.768 1.000 0.833 CB 1.525 31 residues pruned to eliminate duplicates P: 49 57.599 2.224 0.981 0.674 0.938 0.688 CB 1.715 49 residues pruned to eliminate duplicates Q: 18 32.170 2.224 0.806 0.915 0.941 0.765 CB 1.459 18 residues pruned to eliminate duplicates R: 36 29.846 1.997 0.589 0.732 0.943 0.771 CB 1.369 33 residues pruned to eliminate duplicates S: 17 37.241 2.240 1.015 0.931 0.938 0.750 CB 1.538 17 residues pruned to eliminate duplicates T: 18 35.162 2.217 0.717 0.935 1.000 0.941 CB 1.561 17 residues pruned to eliminate duplicates U: 17 33.322 2.258 0.936 0.935 0.875 0.562 CB 1.518 17 residues pruned to eliminate duplicates V: 41 59.405 2.216 0.935 0.818 1.000 0.675 CB 1.661 41 residues pruned to eliminate duplicates W: 29 42.665 2.130 0.805 0.870 1.000 0.643 CB 1.530 29 residues pruned to eliminate duplicates X: 22 32.323 2.065 1.006 0.676 0.952 0.952 CA 1.521 22 residues pruned to eliminate duplicates Y: 45 42.336 2.115 0.787 0.657 0.932 0.705 CB 1.567 28 residues pruned to eliminate duplicates Z: 24 18.604 1.851 0.579 0.626 0.913 0.609 CB 1.291 24 residues pruned to eliminate duplicates Z: 18 42.936 2.217 1.181 0.938 1.000 0.765 CB 1.497 18 residues pruned to eliminate duplicates Z: 20 35.158 2.138 0.771 0.908 0.947 0.789 CB 1.597 20 residues pruned to eliminate duplicates Z: 26 47.330 2.262 0.765 0.901 1.000 0.800 CB 1.693 26 residues pruned to eliminate duplicates Z: 49 53.071 2.228 0.873 0.668 0.938 0.625 CB 1.676 49 residues pruned to eliminate duplicates Z: 50 38.102 2.086 0.653 0.726 0.939 0.694 CB 1.371 47 residues pruned to eliminate duplicates Z: 10 9.470 1.695 0.951 0.359 0.778 0.778 CB 1.429 10 residues pruned to eliminate duplicates Z: 11 19.125 2.073 0.572 0.822 0.900 0.700 CB 1.560 11 residues pruned to eliminate duplicates Z: 29 40.453 2.187 0.778 0.653 1.000 0.643 CB 1.705 Z: 78 57.083 2.212 0.794 0.651 0.935 0.675 CB 1.524 48 residues pruned to eliminate duplicates Z: 41 45.583 2.180 1.006 0.659 0.950 0.775 CB 1.497 41 residues pruned to eliminate duplicates Z: 28 38.940 2.140 0.804 0.866 0.926 0.407 CB 1.535 28 residues pruned to eliminate duplicates Z: 27 46.957 2.215 0.879 0.901 1.000 0.769 CB 1.579 27 residues pruned to eliminate duplicates Z: 55 57.091 2.187 0.841 0.726 0.981 0.741 CB 1.603 41 residues pruned to eliminate duplicates Z: 25 46.297 2.336 0.694 0.926 1.000 0.875 CB 1.675 25 residues pruned to eliminate duplicates Z: 10 16.004 2.144 0.491 0.764 0.889 0.667 CB 1.485 10 residues pruned to eliminate duplicates Z: 18 36.608 2.062 1.062 0.913 1.000 0.765 CB 1.478 18 residues pruned to eliminate duplicates Z: 26 32.770 2.148 0.846 0.778 0.880 0.640 CB 1.470 26 residues pruned to eliminate duplicates Z: 61 45.398 2.056 0.839 0.656 0.917 0.767 CB 1.463 61 residues pruned to eliminate duplicates Z: 28 42.896 2.192 0.815 0.876 1.000 0.815 CB 1.509 28 residues pruned to eliminate duplicates Z: 18 39.191 2.232 1.031 0.918 0.941 0.706 CB 1.571 18 residues pruned to eliminate duplicates Z: 49 56.504 2.247 0.945 0.683 0.958 0.667 CB 1.646 49 residues pruned to eliminate duplicates Z: 91 67.091 2.140 0.910 0.677 0.944 0.767 CB 1.557 91 residues pruned to eliminate duplicates Z: 17 30.866 2.093 0.854 0.907 1.000 0.500 CB 1.413 17 residues pruned to eliminate duplicates Z: 28 30.802 1.952 0.837 0.739 0.963 0.815 CB 1.385 Z: 41 54.478 2.307 0.913 0.757 0.950 0.675 CB 1.634 41 residues pruned to eliminate duplicates Z: 18 38.740 2.076 1.399 0.909 0.941 0.706 CB 1.422 18 residues pruned to eliminate duplicates Z: 27 45.905 2.216 0.851 0.907 0.962 0.808 CB 1.623 27 residues pruned to eliminate duplicates Z: 47 42.254 2.164 0.803 0.619 0.935 0.739 CB 1.527 47 residues pruned to eliminate duplicates Z: 36 50.329 2.242 0.805 0.783 0.971 0.800 CB 1.687 36 residues pruned to eliminate duplicates Z: 29 50.521 2.187 1.059 0.717 0.964 0.786 CB 1.807 29 residues pruned to eliminate duplicates Z: 40 39.921 2.193 0.959 0.648 0.872 0.667 CB 1.488 40 residues pruned to eliminate duplicates Z: 41 61.415 2.221 1.061 0.815 0.950 0.725 CA 1.699 41 residues pruned to eliminate duplicates Z: 18 27.313 2.166 0.775 0.896 0.882 0.706 CB 1.399 18 residues pruned to eliminate duplicates Z: 26 49.501 2.207 0.949 0.910 1.000 0.760 CB 1.632 26 residues pruned to eliminate duplicates Z: 22 15.165 2.090 0.608 0.374 0.857 0.429 CB 1.314 22 residues pruned to eliminate duplicates Z: 11 24.160 2.010 0.819 0.860 1.000 0.800 CB 1.536 11 residues pruned to eliminate duplicates Z: 28 29.021 2.134 0.522 0.878 0.889 0.630 CB 1.403 28 residues pruned to eliminate duplicates Z: 77 62.202 2.227 0.822 0.696 0.934 0.724 CB 1.574 77 residues pruned to eliminate duplicates Z: 27 39.011 2.199 0.730 0.893 0.923 0.654 CB 1.564 27 residues pruned to eliminate duplicates Z: 26 48.228 2.238 0.885 0.923 1.000 0.640 CB 1.607 26 residues pruned to eliminate duplicates Z: 18 36.098 2.176 0.919 0.918 1.000 0.647 CB 1.478 18 residues pruned to eliminate duplicates Z: 14 33.048 2.160 1.149 0.689 1.000 0.692 CB 1.661 15 residues pruned to eliminate duplicates Z: 77 62.758 2.184 0.987 0.677 0.934 0.658 CB 1.508 77 residues pruned to eliminate duplicates Z: 19 38.958 2.022 1.254 0.908 1.000 0.556 CB 1.431 18 residues pruned to eliminate duplicates Z: 36 36.213 2.123 0.844 0.668 0.857 0.714 CB 1.561 36 residues pruned to eliminate duplicates Z: 11 13.084 2.078 0.227 0.779 0.800 0.700 CB 1.585 11 residues pruned to eliminate duplicates Z: 26 48.474 2.259 0.933 0.877 1.000 0.640 CB 1.612 26 residues pruned to eliminate duplicates Z: 26 42.379 2.132 1.031 0.882 0.880 0.640 CB 1.610 26 residues pruned to eliminate duplicates Z: 51 35.496 1.968 0.916 0.518 0.940 0.700 CB 1.391 51 residues pruned to eliminate duplicates Z: 26 49.374 2.255 0.860 0.920 1.000 0.640 CB 1.658 26 residues pruned to eliminate duplicates Z: 29 35.594 2.124 0.751 0.825 0.929 0.679 CB 1.470 29 residues pruned to eliminate duplicates Z: 17 38.604 2.150 1.058 0.909 1.000 0.812 CB 1.548 17 residues pruned to eliminate duplicates Z: 54 30.469 1.904 0.697 0.642 0.868 0.585 CB 1.307 54 residues pruned to eliminate duplicates Z: 27 36.229 2.115 0.915 0.867 0.885 0.731 CB 1.450 27 residues pruned to eliminate duplicates Z: 10 11.945 2.131 0.192 0.803 0.778 0.667 CB 1.547 10 residues pruned to eliminate duplicates Z: 49 45.509 2.247 0.682 0.690 0.979 0.583 CB 1.491 49 residues pruned to eliminate duplicates Z: 29 52.835 2.305 1.069 0.804 0.964 0.821 CB 1.665 30 residues pruned to eliminate duplicates Z: 17 35.544 2.214 0.933 0.918 1.000 1.000 CB 1.464 17 residues pruned to eliminate duplicates Z: 29 26.517 2.034 0.917 0.529 0.929 0.643 CB 1.344 Z: 17 37.537 2.243 1.049 0.909 0.938 0.812 CB 1.546 17 residues pruned to eliminate duplicates Z: 27 40.281 2.185 0.685 0.857 1.000 0.500 CB 1.581 27 residues pruned to eliminate duplicates Z: 27 39.004 2.081 0.953 0.696 1.000 0.731 CB 1.573 27 residues pruned to eliminate duplicates Z: 27 48.723 2.221 0.960 0.908 1.000 0.808 CB 1.559 27 residues pruned to eliminate duplicates Z: 55 50.868 2.265 0.686 0.700 0.944 0.667 CB 1.599 55 residues pruned to eliminate duplicates Z: 54 48.465 2.153 0.801 0.691 0.925 0.528 CB 1.559 54 residues pruned to eliminate duplicates Z: 26 47.185 2.337 0.736 0.896 1.000 0.520 CB 1.666 26 residues pruned to eliminate duplicates Z: 14 17.107 2.094 0.680 0.480 0.923 0.538 CB 1.491 14 residues pruned to eliminate duplicates Z: 13 16.673 2.016 0.742 0.544 1.000 0.417 CB 1.313 Z: 10 16.125 2.022 0.608 0.724 0.889 0.556 CB 1.519 10 residues pruned to eliminate duplicates Z: 39 58.401 2.325 0.907 0.811 0.974 0.842 CB 1.674 39 residues pruned to eliminate duplicates Z: 42 61.479 2.204 1.061 0.793 0.976 0.732 CB 1.676 42 residues pruned to eliminate duplicates Z: 28 44.080 2.188 0.812 0.861 1.000 0.667 CB 1.571 28 residues pruned to eliminate duplicates Z: 26 42.075 2.240 0.676 0.907 0.960 0.760 CB 1.659 26 residues pruned to eliminate duplicates Z: 14 17.104 1.914 0.345 0.936 1.000 1.000 CB 1.283 14 residues pruned to eliminate duplicates Z: 31 33.633 2.151 0.707 0.661 0.967 0.800 CB 1.490 31 residues pruned to eliminate duplicates Z: 27 45.901 2.288 0.940 0.780 0.962 0.846 CB 1.648 27 residues pruned to eliminate duplicates Z: 18 30.069 1.995 0.972 0.819 0.941 0.235 CB 1.494 18 residues pruned to eliminate duplicates Z: 19 29.483 2.183 0.748 0.876 0.944 0.778 CB 1.402 19 residues pruned to eliminate duplicates Z: 11 12.549 1.899 0.958 0.463 0.900 0.700 CB 1.231 Z: 57 48.705 2.074 1.001 0.615 0.946 0.714 CB 1.486 60 residues pruned to eliminate duplicates Z: 13 13.467 1.918 1.012 0.478 0.917 0.500 CB 1.123 13 residues pruned to eliminate duplicates Z: 11 15.636 2.051 0.220 0.772 1.000 0.600 CB 1.553 11 residues pruned to eliminate duplicates Z: 53 55.446 2.192 0.948 0.731 0.942 0.654 CB 1.552 53 residues pruned to eliminate duplicates Z: 67 41.077 2.070 0.625 0.547 0.924 0.606 CB 1.553 61 residues pruned to eliminate duplicates Z: 28 40.174 2.147 0.738 0.858 0.963 0.630 CB 1.584 28 residues pruned to eliminate duplicates Z: 23 25.241 1.957 1.006 0.476 0.955 0.591 CB 1.471 34 residues pruned to eliminate duplicates Z: 51 36.981 2.043 0.628 0.708 0.980 0.640 CB 1.328 51 residues pruned to eliminate duplicates Z: 8 22.911 2.335 0.542 0.865 1.000 0.714 CA 1.762 8 residues pruned to eliminate duplicates Z: 17 32.343 2.127 1.191 0.917 0.875 0.562 CB 1.399 17 residues pruned to eliminate duplicates Z: 12 20.275 2.060 0.967 0.674 0.909 0.455 CB 1.414 12 residues pruned to eliminate duplicates Z: 17 39.571 2.249 0.929 0.941 1.000 0.938 CB 1.583 17 residues pruned to eliminate duplicates Z: 11 25.729 2.112 0.688 0.845 1.000 0.600 CB 1.697 11 residues pruned to eliminate duplicates Z: 35 43.332 2.182 0.901 0.711 0.941 0.676 CB 1.572 35 residues pruned to eliminate duplicates Z: 15 22.456 1.845 0.631 0.918 1.000 0.929 CB 1.406 15 residues pruned to eliminate duplicates Z: 27 35.609 2.256 0.685 0.892 0.846 0.615 CB 1.559 27 residues pruned to eliminate duplicates Z: 28 39.793 2.145 0.781 0.863 1.000 0.704 CB 1.471 28 residues pruned to eliminate duplicates Z: 29 38.864 2.125 0.812 0.840 0.929 0.679 CB 1.533 29 residues pruned to eliminate duplicates Z: 18 29.970 2.176 0.600 0.894 1.000 0.706 CB 1.498 18 residues pruned to eliminate duplicates Z: 43 46.960 2.184 0.894 0.623 0.929 0.643 CB 1.680 43 residues pruned to eliminate duplicates Z: 9 16.937 2.233 0.116 0.911 1.000 0.875 CB 1.703 9 residues pruned to eliminate duplicates Z: 53 59.890 2.214 0.959 0.731 0.962 0.750 CB 1.618 53 residues pruned to eliminate duplicates Z: 12 11.653 1.996 0.267 0.618 1.000 0.636 CB 1.242 12 residues pruned to eliminate duplicates Z: 15 21.715 1.898 0.602 0.895 1.000 0.857 CB 1.369 15 residues pruned to eliminate duplicates Z: 19 32.922 2.081 0.779 0.880 0.944 0.778 CB 1.609 19 residues pruned to eliminate duplicates Z: 28 29.771 1.938 0.816 0.720 0.963 0.778 CB 1.385 29 residues pruned to eliminate duplicates Z: 26 43.043 2.271 0.694 0.891 0.960 0.680 CB 1.676 26 residues pruned to eliminate duplicates Z: 28 43.296 2.178 0.778 0.878 1.000 0.630 CB 1.562 28 residues pruned to eliminate duplicates Z: 26 47.090 2.226 0.924 0.879 0.960 0.560 CB 1.661 26 residues pruned to eliminate duplicates Z: 16 22.261 1.859 0.732 0.903 1.000 0.800 CB 1.272 15 residues pruned to eliminate duplicates Z: 26 42.734 2.285 0.764 0.924 0.960 0.520 CB 1.551 26 residues pruned to eliminate duplicates Z: 27 45.680 2.214 0.739 0.909 1.000 0.654 CB 1.652 27 residues pruned to eliminate duplicates Z: 78 61.775 2.253 0.756 0.687 0.948 0.662 CB 1.581 78 residues pruned to eliminate duplicates Z: 15 12.481 1.832 0.751 0.412 0.929 0.429 CB 1.228 14 residues pruned to eliminate duplicates Z: 21 33.480 2.105 0.761 0.858 1.000 0.750 CB 1.487 21 residues pruned to eliminate duplicates Z: 27 37.648 2.177 0.717 0.859 0.923 0.692 CB 1.574 27 residues pruned to eliminate duplicates Z: 15 21.924 1.927 0.692 0.923 1.000 1.000 CB 1.263 15 residues pruned to eliminate duplicates Z: 13 20.586 2.125 0.949 0.573 0.833 0.750 CB 1.605 13 residues pruned to eliminate duplicates Z: 15 20.792 1.914 0.607 0.905 1.000 1.000 CB 1.286 15 residues pruned to eliminate duplicates Z: 13 36.804 2.229 1.115 0.732 1.000 0.833 CB 1.829 13 residues pruned to eliminate duplicates Z: 27 25.825 1.956 0.772 0.712 0.923 0.846 CB 1.306 27 residues pruned to eliminate duplicates Z: 13 16.187 2.083 0.666 0.499 0.917 0.750 CB 1.471 13 residues pruned to eliminate duplicates Z: 27 36.263 2.260 0.679 0.909 0.923 0.731 CB 1.440 27 residues pruned to eliminate duplicates Z: 20 24.674 2.140 0.581 0.819 0.842 0.474 CB 1.507 20 residues pruned to eliminate duplicates Z: 32 46.837 2.197 0.991 0.747 0.968 0.774 CB 1.593 32 residues pruned to eliminate duplicates Z: 27 40.794 2.167 0.681 0.888 1.000 0.769 CB 1.582 27 residues pruned to eliminate duplicates Z: 24 25.074 2.055 0.441 0.893 0.957 0.739 CB 1.325 24 residues pruned to eliminate duplicates Z: 26 44.823 2.265 1.034 0.694 0.960 0.840 CB 1.698 26 residues pruned to eliminate duplicates Z: 26 42.373 2.148 0.982 0.892 0.920 0.800 CB 1.555 26 residues pruned to eliminate duplicates Z: 27 41.875 2.171 0.744 0.919 1.000 0.769 CB 1.529 27 residues pruned to eliminate duplicates Z: 27 38.125 2.116 0.742 0.889 0.962 0.615 CB 1.519 27 residues pruned to eliminate duplicates Z: 17 30.183 2.066 0.588 0.927 1.000 0.938 CB 1.612 17 residues pruned to eliminate duplicates Z: 15 27.985 2.023 0.748 0.915 0.929 0.714 CB 1.610 15 residues pruned to eliminate duplicates Z: 50 56.995 2.202 0.848 0.745 0.980 0.878 CB 1.641 50 residues pruned to eliminate duplicates Z: 11 15.784 2.106 0.912 0.513 0.900 0.900 CA 1.359 Z: 31 48.586 2.240 0.992 0.775 1.000 0.867 CB 1.560 31 residues pruned to eliminate duplicates Z: 27 25.691 1.955 0.584 0.872 0.923 0.615 CB 1.285 27 residues pruned to eliminate duplicates Z: 100 67.905 2.163 0.878 0.679 0.939 0.677 CB 1.517 52 residues pruned to eliminate duplicates Z: 18 31.416 2.021 1.031 0.909 0.882 0.471 CB 1.492 18 residues pruned to eliminate duplicates Z: 37 27.120 2.211 0.638 0.534 0.833 0.556 CB 1.449 37 residues pruned to eliminate duplicates Z: 26 45.053 2.251 0.684 0.908 1.000 0.840 CB 1.689 26 residues pruned to eliminate duplicates Z: 17 43.049 2.117 1.221 0.932 1.000 0.625 CB 1.598 17 residues pruned to eliminate duplicates Z: 26 24.396 2.027 0.445 0.888 0.960 0.600 CB 1.250 26 residues pruned to eliminate duplicates Z: 41 36.841 2.120 0.843 0.617 0.950 0.625 CB 1.406 41 residues pruned to eliminate duplicates Z: 56 53.082 2.161 0.861 0.707 0.927 0.618 CB 1.590 56 residues pruned to eliminate duplicates Z: 25 36.711 2.286 0.611 0.871 0.917 0.750 CB 1.619 25 residues pruned to eliminate duplicates Z: 31 47.777 2.247 0.934 0.779 0.967 0.733 CB 1.624 31 residues pruned to eliminate duplicates Z: 26 34.638 2.024 0.899 0.793 1.000 0.880 CB 1.394 27 residues pruned to eliminate duplicates Z: 52 37.467 2.042 0.621 0.709 0.961 0.647 CB 1.365 52 residues pruned to eliminate duplicates Z: 29 38.343 2.113 0.862 0.858 0.929 0.571 CB 1.461 29 residues pruned to eliminate duplicates Z: 15 17.062 1.805 0.528 0.904 1.000 0.786 CB 1.177 15 residues pruned to eliminate duplicates Z: 18 38.698 2.171 0.987 0.932 1.000 0.706 CB 1.519 18 residues pruned to eliminate duplicates Z: 27 36.543 2.178 0.584 0.910 0.962 0.769 CB 1.531 27 residues pruned to eliminate duplicates Z: 11 18.290 1.984 0.520 0.825 1.000 0.800 CB 1.447 11 residues pruned to eliminate duplicates Z: 54 60.671 2.221 0.902 0.743 0.981 0.755 CB 1.618 54 residues pruned to eliminate duplicates Z: 27 42.883 2.201 0.732 0.899 0.923 0.462 CB 1.708 27 residues pruned to eliminate duplicates Z: 27 34.593 2.142 0.521 0.856 0.962 0.808 CB 1.597 27 residues pruned to eliminate duplicates Z: 21 8.721 1.769 0.459 0.282 0.850 0.350 CB 1.136 15 residues pruned to eliminate duplicates Z: 14 16.005 2.019 0.960 0.507 0.923 0.692 CB 1.207 14 residues pruned to eliminate duplicates Z: 32 44.552 2.163 0.876 0.728 1.000 0.710 CB 1.605 32 residues pruned to eliminate duplicates Z: 10 7.040 1.839 -0.194 0.794 1.000 0.889 CB 1.224 Z: 28 35.485 2.082 0.755 0.883 0.926 0.630 CB 1.460 28 residues pruned to eliminate duplicates Z: 26 39.356 2.289 0.511 0.906 1.000 0.880 CB 1.619 26 residues pruned to eliminate duplicates Z: 26 24.644 2.037 0.456 0.894 0.960 0.520 CB 1.242 26 residues pruned to eliminate duplicates Z: 6 4.277 1.496 0.642 0.798 0.800 0.800 N 0.750 6 residues pruned to eliminate duplicates Z: 15 22.725 1.931 0.771 0.908 1.000 0.857 CB 1.261 15 residues pruned to eliminate duplicates Z: 21 28.340 2.164 0.462 0.855 1.000 0.700 CB 1.479 21 residues pruned to eliminate duplicates Z: 26 47.594 2.303 0.857 0.905 1.000 0.680 CB 1.584 26 residues pruned to eliminate duplicates Z: 17 43.794 2.259 1.219 0.925 1.000 0.812 CB 1.533 17 residues pruned to eliminate duplicates Z: 54 52.456 2.142 0.982 0.616 0.962 0.679 CB 1.580 54 residues pruned to eliminate duplicates Z: 6 3.448 1.857 0.235 0.348 0.600 0.600 CB 1.321 6 residues pruned to eliminate duplicates Z: 40 30.468 2.070 0.486 0.796 0.923 0.769 CB 1.326 40 residues pruned to eliminate duplicates Z: 26 25.802 2.017 0.572 0.900 0.960 0.600 CB 1.211 26 residues pruned to eliminate duplicates Z: 12 14.251 2.114 0.730 0.450 0.909 0.545 CA 1.360 12 residues pruned to eliminate duplicates Z: 26 37.496 2.276 0.670 0.892 0.920 0.560 CB 1.541 26 residues pruned to eliminate duplicates Z: 27 27.387 2.064 0.764 0.529 1.000 0.692 CB 1.433 27 residues pruned to eliminate duplicates Z: 18 36.431 2.019 1.131 0.903 1.000 0.706 CB 1.464 18 residues pruned to eliminate duplicates Z: 50 34.351 2.077 0.604 0.708 0.918 0.714 CB 1.328 50 residues pruned to eliminate duplicates Z: 27 37.092 2.141 0.771 0.907 0.885 0.423 CB 1.541 27 residues pruned to eliminate duplicates Z: 13 22.045 1.907 0.630 0.943 1.000 1.000 CB 1.419 13 residues pruned to eliminate duplicates Z: 26 14.948 2.005 0.486 0.492 0.840 0.440 CB 1.205 26 residues pruned to eliminate duplicates Z: 13 14.884 1.866 0.331 0.767 0.917 0.583 CB 1.489 13 residues pruned to eliminate duplicates Z: 11 15.478 2.106 0.342 0.750 1.000 0.500 CB 1.386 11 residues pruned to eliminate duplicates Z: 84 73.550 2.182 1.000 0.689 0.964 0.735 CB 1.615 84 residues pruned to eliminate duplicates Z: 18 29.934 2.126 0.620 0.922 1.000 0.706 CB 1.483 18 residues pruned to eliminate duplicates Z: 14 27.533 1.959 0.898 0.932 1.000 0.923 CB 1.435 14 residues pruned to eliminate duplicates Z: 26 37.136 2.212 0.647 0.907 1.000 0.280 CB 1.449 26 residues pruned to eliminate duplicates Z: 27 39.817 2.258 0.652 0.902 0.962 0.731 CB 1.553 27 residues pruned to eliminate duplicates Z: 22 25.031 2.089 0.664 0.843 0.810 0.381 CB 1.446 22 residues pruned to eliminate duplicates Z: 15 24.551 1.870 0.842 0.929 1.000 0.643 CB 1.333 15 residues pruned to eliminate duplicates Z: 7 5.514 1.561 0.036 0.679 1.000 0.833 CB 1.181 Z: 17 21.881 1.963 0.483 0.929 1.000 0.875 CB 1.314 17 residues pruned to eliminate duplicates Z: 27 41.183 2.200 0.700 0.902 1.000 0.808 CB 1.540 27 residues pruned to eliminate duplicates Z: 12 12.655 1.883 0.720 0.777 0.818 0.636 CB 1.128 12 residues pruned to eliminate duplicates Z: 9 15.880 1.874 1.227 0.775 1.000 0.750 N 1.055 Z: 28 42.483 2.138 0.837 0.867 1.000 0.778 CB 1.523 28 residues pruned to eliminate duplicates Z: 31 48.295 2.259 0.970 0.771 0.967 0.833 CB 1.613 31 residues pruned to eliminate duplicates Z: 80 63.969 2.238 0.797 0.712 0.937 0.658 CB 1.576 80 residues pruned to eliminate duplicates Z: 17 29.453 2.206 0.551 0.919 1.000 0.812 CB 1.517 17 residues pruned to eliminate duplicates Z: 11 11.866 1.697 0.756 0.574 0.900 0.400 CB 1.303 11 residues pruned to eliminate duplicates Z: 9 7.093 1.752 0.431 0.388 0.750 0.625 CB 1.502 9 residues pruned to eliminate duplicates Z: 12 12.656 2.034 0.793 0.439 0.818 0.455 CB 1.362 12 residues pruned to eliminate duplicates Z: 58 46.816 2.046 0.972 0.605 0.895 0.684 CB 1.554 58 residues pruned to eliminate duplicates Z: 21 31.474 2.046 0.669 0.893 0.950 0.750 CB 1.557 21 residues pruned to eliminate duplicates Z: 9 3.487 1.639 -0.029 0.377 0.750 0.500 CB 1.179 Z: 14 12.998 1.805 0.483 0.633 1.000 0.615 N 1.189 Z: 14 21.309 1.919 0.516 0.912 1.000 1.000 CB 1.439 14 residues pruned to eliminate duplicates Z: 6 4.792 1.931 0.529 0.227 0.800 0.800 CB 1.248 Z: 26 23.039 1.948 0.640 0.857 0.880 0.600 CB 1.208 26 residues pruned to eliminate duplicates Z: 13 8.125 1.884 0.870 0.334 0.750 0.667 CB 1.065 13 residues pruned to eliminate duplicates Z: 28 39.933 2.176 0.781 0.851 0.926 0.407 CB 1.585 28 residues pruned to eliminate duplicates Z: 11 13.489 2.019 0.358 0.896 1.000 0.700 CB 1.114 11 residues pruned to eliminate duplicates Z: 26 22.371 1.928 0.542 0.872 0.920 0.720 CB 1.192 26 residues pruned to eliminate duplicates Z: 6 5.514 1.741 0.135 0.615 0.800 0.600 N 1.400 Z: 27 41.354 2.264 0.722 0.895 0.962 0.808 CB 1.551 27 residues pruned to eliminate duplicates Z: 19 30.312 2.132 0.816 0.862 0.889 0.667 CB 1.525 19 residues pruned to eliminate duplicates Z: 18 19.675 2.104 0.851 0.431 0.941 0.647 CB 1.398 18 residues pruned to eliminate duplicates Z: 12 9.371 1.909 0.668 0.428 0.909 0.545 CB 1.052 12 residues pruned to eliminate duplicates Z: 14 21.970 1.905 0.670 0.919 1.000 0.692 CB 1.350 14 residues pruned to eliminate duplicates Z: 14 20.709 1.961 0.963 0.615 0.923 0.769 CB 1.450 Z: 14 10.638 1.730 0.708 0.386 0.846 0.615 CB 1.332 14 residues pruned to eliminate duplicates Z: 46 47.829 2.155 0.932 0.706 0.911 0.711 CB 1.559 46 residues pruned to eliminate duplicates Z: 54 35.919 1.970 0.744 0.690 0.943 0.755 CB 1.279 54 residues pruned to eliminate duplicates Z: 11 14.363 1.894 0.642 0.800 0.900 0.800 CB 1.249 11 residues pruned to eliminate duplicates Z: 26 27.646 2.044 0.602 0.906 0.960 0.680 CB 1.251 26 residues pruned to eliminate duplicates Z: 7 4.042 1.726 -0.275 0.757 1.000 0.833 N 1.049 7 residues pruned to eliminate duplicates Z: 26 23.300 2.048 0.455 0.898 0.920 0.760 CB 1.215 26 residues pruned to eliminate duplicates Z: 27 47.241 2.173 0.983 0.864 1.000 0.692 CB 1.576 27 residues pruned to eliminate duplicates Z: 28 38.362 2.180 0.773 0.865 0.926 0.556 CB 1.512 28 residues pruned to eliminate duplicates Z: 48 47.177 2.217 0.736 0.716 0.936 0.660 CB 1.571 48 residues pruned to eliminate duplicates Z: 16 9.981 1.805 0.548 0.391 0.933 0.533 CB 1.110 16 residues pruned to eliminate duplicates Z: 26 23.759 1.894 0.720 0.636 0.880 0.600 CA 1.460 105 residues pruned to eliminate duplicates Z: 11 15.687 2.076 0.315 0.786 1.000 0.800 CB 1.413 11 residues pruned to eliminate duplicates Z: 53 54.221 2.186 0.851 0.722 0.962 0.750 CB 1.581 53 residues pruned to eliminate duplicates Z: 27 45.131 2.232 0.826 0.873 0.962 0.769 CB 1.645 27 residues pruned to eliminate duplicates Z: 18 31.643 2.183 0.804 0.889 1.000 0.765 CB 1.403 18 residues pruned to eliminate duplicates Z: 38 27.669 1.947 0.842 0.549 0.919 0.649 CB 1.315 38 residues pruned to eliminate duplicates Z: 15 20.811 1.884 0.588 0.919 0.929 0.929 CB 1.411 15 residues pruned to eliminate duplicates Z: 79 54.879 2.205 0.678 0.663 0.936 0.641 CB 1.543 79 residues pruned to eliminate duplicates Z: 11 13.969 1.919 0.840 0.413 0.900 0.600 CB 1.523 11 residues pruned to eliminate duplicates Z: 10 25.255 2.198 0.806 0.896 0.889 0.889 CB 1.709 10 residues pruned to eliminate duplicates Z: 15 32.760 2.300 0.595 0.914 1.000 0.929 CB 1.688 15 residues pruned to eliminate duplicates Z: 6 3.881 1.750 0.335 0.357 1.000 0.400 CB 0.867 6 residues pruned to eliminate duplicates Z: 17 24.887 2.181 0.572 0.902 0.938 0.750 CB 1.381 17 residues pruned to eliminate duplicates Z: 32 24.096 2.162 0.786 0.423 0.839 0.548 CB 1.448 Z: 25 22.569 2.011 0.455 0.854 0.917 0.542 CB 1.268 25 residues pruned to eliminate duplicates Z: 51 34.345 2.070 0.518 0.720 0.940 0.620 CB 1.348 51 residues pruned to eliminate duplicates Z: 17 29.853 2.194 0.440 0.917 1.000 1.000 CB 1.667 17 residues pruned to eliminate duplicates Z: 18 21.577 1.915 0.743 0.738 0.941 0.882 CB 1.346 18 residues pruned to eliminate duplicates Z: 92 67.298 2.152 1.007 0.645 0.934 0.725 CB 1.528 92 residues pruned to eliminate duplicates Z: 29 38.233 2.121 0.648 0.866 1.000 0.607 CB 1.513 29 residues pruned to eliminate duplicates Z: 42 37.292 2.131 0.798 0.602 0.927 0.707 CB 1.488 74 residues pruned to eliminate duplicates Z: 15 22.739 1.901 0.799 0.922 1.000 0.857 CB 1.250 15 residues pruned to eliminate duplicates Z: 25 21.383 2.056 0.308 0.881 0.917 0.667 CB 1.283 25 residues pruned to eliminate duplicates Z: 27 30.792 1.976 0.913 0.748 0.923 0.885 CB 1.386 27 residues pruned to eliminate duplicates Z: 26 24.696 2.036 0.612 0.894 0.880 0.440 CB 1.227 26 residues pruned to eliminate duplicates Z: 16 19.613 1.839 0.477 0.907 1.000 1.000 CB 1.324 16 residues pruned to eliminate duplicates Z: 26 42.987 2.256 0.817 0.890 0.960 0.640 CB 1.572 Z: 44 58.910 2.195 0.960 0.797 0.977 0.814 CB 1.648 44 residues pruned to eliminate duplicates Z: 11 7.176 1.862 0.306 0.671 0.900 0.300 CB 0.885 11 residues pruned to eliminate duplicates Z: 10 21.816 2.120 0.668 0.736 1.000 0.667 CB 1.664 10 residues pruned to eliminate duplicates Z: 15 21.955 1.877 0.735 0.878 1.000 0.571 CB 1.307 15 residues pruned to eliminate duplicates Z: 17 14.053 1.805 0.793 0.454 1.000 0.625 CB 1.139 17 residues pruned to eliminate duplicates Z: 15 23.319 1.916 0.870 0.888 1.000 0.786 CB 1.253 15 residues pruned to eliminate duplicates Z: 14 6.153 1.835 0.503 0.374 0.615 0.462 CB 1.151 14 residues pruned to eliminate duplicates Z: 11 14.170 2.074 0.413 0.750 0.900 0.700 CA 1.359 11 residues pruned to eliminate duplicates Z: 12 34.075 2.267 1.048 0.797 1.000 0.818 CB 1.706 11 residues pruned to eliminate duplicates Z: 27 21.194 1.950 0.396 0.875 0.885 0.615 CB 1.256 27 residues pruned to eliminate duplicates Z: 22 20.159 2.045 0.680 0.460 0.905 0.524 CB 1.475 Z: 8 4.927 1.631 0.062 0.468 1.000 0.714 C 1.111 9 residues pruned to eliminate duplicates Z: 51 48.291 2.111 0.868 0.700 0.960 0.780 CB 1.503 51 residues pruned to eliminate duplicates Z: 9 8.825 1.827 -0.127 0.858 1.000 1.000 CB 1.440 Z: 11 11.068 1.765 1.208 0.633 0.700 0.700 CB 1.132 Z: 19 35.039 2.010 1.229 0.877 0.944 0.500 CB 1.418 19 residues pruned to eliminate duplicates Z: 17 38.068 2.135 1.137 0.933 1.000 0.875 CB 1.455 17 residues pruned to eliminate duplicates Z: 79 61.613 2.219 0.757 0.696 0.962 0.628 CB 1.556 79 residues pruned to eliminate duplicates Z: 14 7.326 1.723 0.545 0.507 1.000 0.462 CB 0.758 14 residues pruned to eliminate duplicates Z: 7 15.913 2.015 0.735 0.820 1.000 1.000 CA 1.408 7 residues pruned to eliminate duplicates Z: 24 16.313 1.935 0.775 0.512 0.870 0.652 CB 1.125 44 residues pruned to eliminate duplicates Z: 11 18.179 2.105 0.656 0.784 0.900 0.700 CB 1.427 11 residues pruned to eliminate duplicates Z: 8 10.623 1.970 0.520 0.824 0.857 0.714 CB 1.181 8 residues pruned to eliminate duplicates Z: 12 17.092 1.967 0.489 0.799 0.909 0.818 CB 1.490 12 residues pruned to eliminate duplicates Z: 27 28.624 1.964 0.681 0.909 0.962 0.654 CB 1.254 27 residues pruned to eliminate duplicates Z: 42 42.719 2.144 0.824 0.670 0.951 0.732 CB 1.533 42 residues pruned to eliminate duplicates Z: 22 18.383 1.960 0.782 0.483 0.857 0.667 CB 1.363 22 residues pruned to eliminate duplicates Z: 11 16.103 1.983 0.597 0.839 1.000 0.600 CB 1.201 11 residues pruned to eliminate duplicates Z: 26 23.846 2.008 0.385 0.908 1.000 0.760 CB 1.218 26 residues pruned to eliminate duplicates Z: 9 4.437 1.827 0.106 0.779 0.750 0.375 CB 0.810 9 residues pruned to eliminate duplicates Z: 27 46.087 2.246 0.973 0.898 0.923 0.462 CB 1.580 26 residues pruned to eliminate duplicates Z: 26 27.225 2.051 0.562 0.904 0.960 0.560 CB 1.262 26 residues pruned to eliminate duplicates Z: 28 22.662 1.916 0.330 0.878 0.963 0.630 CB 1.290 28 residues pruned to eliminate duplicates Z: 6 2.565 1.706 -0.142 0.259 0.800 0.200 C 1.290 Z: 26 22.368 2.060 0.431 0.884 0.880 0.600 CB 1.245 26 residues pruned to eliminate duplicates Z: 9 4.186 1.749 -0.032 0.408 0.875 0.875 CA 1.099 9 residues pruned to eliminate duplicates Z: 12 11.806 1.842 0.414 0.803 0.909 0.727 CB 1.154 12 residues pruned to eliminate duplicates Z: 26 42.173 2.241 0.643 0.887 1.000 0.680 CB 1.652 26 residues pruned to eliminate duplicates Z: 7 12.508 1.762 0.874 0.736 1.000 1.000 N 1.251 Z: 27 41.317 2.217 0.977 0.693 1.000 0.692 CB 1.550 14 residues pruned to eliminate duplicates Z: 10 19.968 2.164 0.678 0.731 1.000 0.667 CB 1.490 10 residues pruned to eliminate duplicates Z: 11 15.383 1.835 0.632 0.864 1.000 0.600 CB 1.191 11 residues pruned to eliminate duplicates Z: 26 43.677 2.286 0.703 0.914 1.000 0.680 CB 1.587 26 residues pruned to eliminate duplicates Z: 14 25.822 1.916 0.835 0.940 1.000 1.000 CB 1.415 14 residues pruned to eliminate duplicates Z: 16 10.664 1.812 0.324 0.473 0.933 0.667 CB 1.264 Z: 22 25.258 2.139 0.473 0.697 0.952 0.667 CB 1.535 31 residues pruned to eliminate duplicates Z: 7 6.030 1.691 0.787 0.507 0.833 0.500 N 0.970 7 residues pruned to eliminate duplicates Z: 14 21.041 1.927 0.520 0.929 1.000 0.846 CB 1.394 14 residues pruned to eliminate duplicates Z: 6 3.592 1.605 -0.117 0.492 1.000 0.600 CB 1.142 6 residues pruned to eliminate duplicates Z: 12 20.158 1.970 0.955 0.905 1.000 0.909 CB 1.123 12 residues pruned to eliminate duplicates Z: 14 23.461 1.883 0.718 0.947 1.000 0.923 CB 1.390 14 residues pruned to eliminate duplicates Z: 26 24.619 2.038 0.498 0.887 1.000 0.640 CB 1.163 26 residues pruned to eliminate duplicates Z: 47 35.931 2.067 0.649 0.656 0.913 0.630 CB 1.472 47 residues pruned to eliminate duplicates Z: 12 15.124 1.925 0.579 0.671 1.000 0.727 CB 1.281 12 residues pruned to eliminate duplicates Z: 7 4.705 1.680 -0.036 0.750 1.000 0.833 CB 0.949 Z: 47 36.274 2.212 0.635 0.636 0.870 0.674 CB 1.497 34 residues pruned to eliminate duplicates Z: 15 22.886 2.076 0.788 0.650 0.929 0.714 CB 1.544 15 residues pruned to eliminate duplicates Z: 8 6.936 1.724 0.050 0.880 0.857 0.714 CA 1.225 Z: 14 25.623 1.982 0.879 0.921 1.000 0.769 CB 1.343 14 residues pruned to eliminate duplicates Z: 8 10.429 1.819 0.370 0.888 1.000 0.857 CA 1.139 8 residues pruned to eliminate duplicates Z: 7 2.243 1.624 -0.382 0.467 0.833 0.333 CB 1.131 Z: 8 2.224 1.580 0.472 0.304 0.571 0.286 CB 0.787 Z: 13 10.481 1.803 0.887 0.465 0.750 0.667 CB 1.229 13 residues pruned to eliminate duplicates Z: 60 42.177 2.058 0.861 0.568 0.915 0.661 CB 1.467 60 residues pruned to eliminate duplicates Z: 12 24.522 2.049 1.086 0.833 0.909 0.636 CB 1.428 12 residues pruned to eliminate duplicates Z: 8 6.537 1.660 -0.014 0.891 1.000 0.857 CA 1.086 8 residues pruned to eliminate duplicates Z: 30 50.091 2.292 0.974 0.823 0.966 0.759 CB 1.610 30 residues pruned to eliminate duplicates Z: 20 10.083 1.834 0.423 0.308 0.842 0.368 CB 1.304 20 residues pruned to eliminate duplicates Z: 28 39.310 2.105 0.858 0.880 0.926 0.407 CB 1.514 28 residues pruned to eliminate duplicates Z: 82 73.439 2.252 0.926 0.694 0.963 0.790 CB 1.636 66 residues pruned to eliminate duplicates Z: 28 29.696 2.116 0.475 0.849 0.889 0.593 CB 1.527 28 residues pruned to eliminate duplicates Z: 7 3.403 1.646 -0.281 0.802 1.000 1.000 CB 0.901 Z: 16 18.678 1.751 0.586 0.893 1.000 0.800 CB 1.246 16 residues pruned to eliminate duplicates Z: 35 31.239 2.022 0.884 0.608 0.882 0.618 CB 1.439 35 residues pruned to eliminate duplicates Z: 8 11.389 1.933 0.556 0.720 1.000 1.000 CB 1.173 Z: 14 22.321 1.922 0.666 0.936 1.000 1.000 CB 1.346 14 residues pruned to eliminate duplicates Z: 28 41.618 2.125 0.794 0.902 0.963 0.667 CB 1.556 28 residues pruned to eliminate duplicates Z: 10 6.947 1.784 -0.062 0.770 1.000 0.778 CB 1.090 Z: 53 49.246 2.191 0.854 0.660 0.885 0.596 CB 1.637 60 residues pruned to eliminate duplicates Z: 27 23.677 1.964 0.537 0.859 0.923 0.654 CB 1.226 27 residues pruned to eliminate duplicates Z: 16 18.739 1.838 0.699 0.899 1.000 0.867 CB 1.108 9 residues pruned to eliminate duplicates Z: 7 17.599 2.164 0.471 0.895 1.000 0.500 CB 1.618 7 residues pruned to eliminate duplicates Z: 10 19.745 2.220 0.553 0.860 0.889 0.667 CB 1.580 10 residues pruned to eliminate duplicates Z: 31 32.441 2.142 0.612 0.696 0.933 0.800 CB 1.537 31 residues pruned to eliminate duplicates Z: 12 15.657 1.967 0.266 0.777 1.000 0.636 CB 1.484 12 residues pruned to eliminate duplicates Z: 14 12.308 1.816 0.853 0.515 1.000 0.692 CB 1.000 14 residues pruned to eliminate duplicates Z: 20 34.634 2.153 0.784 0.908 1.000 0.842 CB 1.470 20 residues pruned to eliminate duplicates Z: 13 12.946 1.816 0.416 0.670 0.917 0.917 CA 1.355 13 residues pruned to eliminate duplicates Z: 8 8.638 1.664 0.236 0.919 1.000 1.000 CA 1.119 8 residues pruned to eliminate duplicates Z: 12 17.577 2.068 0.973 0.574 1.000 0.818 CB 1.210 12 residues pruned to eliminate duplicates Z: 28 19.985 1.779 0.485 0.606 1.000 0.704 CB 1.316 28 residues pruned to eliminate duplicates Z: 25 35.288 2.194 0.822 0.882 0.917 0.708 CB 1.422 25 residues pruned to eliminate duplicates Z: 24 15.505 1.812 0.690 0.471 0.870 0.565 CB 1.251 31 residues pruned to eliminate duplicates Z: 25 24.716 2.045 0.532 0.859 0.958 0.667 CB 1.236 25 residues pruned to eliminate duplicates Z: 13 24.478 2.194 0.759 0.657 1.000 0.750 CB 1.583 13 residues pruned to eliminate duplicates Z: 16 20.391 1.995 0.820 0.604 0.933 0.667 CB 1.408 17 residues pruned to eliminate duplicates Z: 70 57.334 2.081 0.871 0.695 0.957 0.710 CB 1.551 70 residues pruned to eliminate duplicates Z: 6 6.298 1.671 0.865 0.385 0.800 0.400 N 1.276 Z: 6 5.693 1.848 0.056 0.767 1.000 1.000 CB 1.030 Z: 25 24.526 2.009 0.488 0.898 0.958 0.667 CB 1.251 25 residues pruned to eliminate duplicates Z: 31 49.343 2.262 0.969 0.814 0.933 0.667 CB 1.650 31 residues pruned to eliminate duplicates Z: 25 22.353 1.954 0.905 0.677 0.833 0.750 CB 1.249 25 residues pruned to eliminate duplicates Z: 12 14.773 1.976 0.743 0.591 0.909 0.545 CA 1.304 12 residues pruned to eliminate duplicates Z: 11 16.211 2.101 0.312 0.767 0.900 0.600 CB 1.631 11 residues pruned to eliminate duplicates Z: 31 48.258 2.134 0.983 0.735 1.000 0.633 CB 1.685 31 residues pruned to eliminate duplicates Z: 26 48.889 2.246 0.854 0.894 1.000 0.760 CB 1.684 26 residues pruned to eliminate duplicates Z: 8 14.180 2.063 0.604 0.860 0.857 0.429 CB 1.390 8 residues pruned to eliminate duplicates Z: 52 41.518 2.216 0.732 0.648 0.863 0.549 CB 1.530 52 residues pruned to eliminate duplicates Z: 8 7.393 1.822 0.446 0.432 0.857 0.714 CB 1.327 8 residues pruned to eliminate duplicates Z: 52 36.567 2.017 0.717 0.707 0.941 0.686 CB 1.302 52 residues pruned to eliminate duplicates Z: 64 56.835 2.186 0.932 0.675 0.952 0.730 CB 1.515 64 residues pruned to eliminate duplicates Z: 7 7.890 1.763 0.069 0.879 1.000 0.833 CB 1.239 7 residues pruned to eliminate duplicates Z: 17 34.187 2.269 0.729 0.918 1.000 0.875 CB 1.537 17 residues pruned to eliminate duplicates Z: 27 37.902 2.175 0.653 0.919 0.962 0.769 CB 1.515 27 residues pruned to eliminate duplicates Z: 6 2.964 1.718 -0.152 0.625 0.800 0.800 CB 1.012 Z: 84 72.299 2.182 0.968 0.691 0.952 0.735 CB 1.630 84 residues pruned to eliminate duplicates Z: 26 21.896 1.989 0.291 0.897 0.960 0.720 CB 1.271 26 residues pruned to eliminate duplicates Z: 35 26.735 1.835 0.617 0.719 1.000 0.794 CB 1.268 35 residues pruned to eliminate duplicates Z: 22 33.400 2.146 0.698 0.841 0.952 0.714 CB 1.567 22 residues pruned to eliminate duplicates Z: 7 7.878 1.778 0.079 0.892 1.000 1.000 CB 1.204 7 residues pruned to eliminate duplicates Z: 27 38.325 2.236 0.614 0.858 0.962 0.577 CB 1.595 27 residues pruned to eliminate duplicates Z: 13 21.976 1.909 0.650 0.918 1.000 1.000 CB 1.420 13 residues pruned to eliminate duplicates Z: 10 2.715 1.535 0.007 0.346 0.778 0.444 CB 0.890 6 residues pruned to eliminate duplicates Z: 12 5.137 1.457 0.677 0.435 0.909 0.364 CB 0.745 Z: 27 26.566 1.983 0.516 0.891 1.000 0.769 CB 1.246 27 residues pruned to eliminate duplicates Z: 26 27.414 2.045 0.496 0.895 1.000 0.760 CB 1.285 26 residues pruned to eliminate duplicates Z: 7 3.776 1.740 -0.292 0.640 1.000 0.667 CB 1.099 6 residues pruned to eliminate duplicates Z: 54 54.570 2.175 0.906 0.714 0.962 0.660 CB 1.548 54 residues pruned to eliminate duplicates Z: 24 24.810 2.044 0.753 0.618 0.870 0.652 CB 1.485 24 residues pruned to eliminate duplicates Z: 16 12.167 1.871 0.582 0.442 0.933 0.533 CB 1.207 16 residues pruned to eliminate duplicates Z: 6 2.094 1.470 0.493 0.401 0.600 0.600 CB 0.790 Z: 39 40.157 2.131 0.795 0.689 0.947 0.763 CB 1.511 40 residues pruned to eliminate duplicates Z: 15 23.436 1.892 0.813 0.920 1.000 1.000 CB 1.286 15 residues pruned to eliminate duplicates Z: 17 23.920 1.798 0.856 0.927 1.000 0.875 CB 1.256 16 residues pruned to eliminate duplicates Z: 6 3.043 1.599 0.118 0.566 0.800 0.600 CB 0.892 5 residues pruned to eliminate duplicates Z: 41 53.762 2.225 0.910 0.791 0.950 0.625 CB 1.631 41 residues pruned to eliminate duplicates Z: 12 5.340 1.728 -0.031 0.731 0.909 0.727 CB 0.859 11 residues pruned to eliminate duplicates Z: 53 58.795 2.216 0.947 0.727 0.962 0.750 CB 1.602 53 residues pruned to eliminate duplicates Z: 26 37.548 2.216 0.608 0.871 0.960 0.760 CB 1.602 26 residues pruned to eliminate duplicates Z: 106 75.715 2.211 0.857 0.653 0.971 0.629 CB 1.607 82 residues pruned to eliminate duplicates Z: 17 20.449 1.922 0.851 0.518 0.938 0.688 CA 1.506 17 residues pruned to eliminate duplicates Z: 26 23.089 1.989 0.315 0.888 1.000 0.760 CB 1.272 26 residues pruned to eliminate duplicates Z: 15 25.474 1.967 0.921 0.929 1.000 0.714 CB 1.261 16 residues pruned to eliminate duplicates Z: 6 6.489 1.914 -0.019 0.688 1.000 1.000 CB 1.300 7 residues pruned to eliminate duplicates Z: 7 10.000 2.058 0.348 0.589 1.000 0.833 CB 1.352 7 residues pruned to eliminate duplicates Z: 26 37.640 2.295 0.682 0.874 0.920 0.760 CB 1.543 26 residues pruned to eliminate duplicates Z: 13 22.587 1.934 0.661 0.765 1.000 0.917 CB 1.605 13 residues pruned to eliminate duplicates Z: 15 24.869 1.932 0.955 0.929 1.000 0.857 CB 1.232 15 residues pruned to eliminate duplicates Z: 7 6.886 1.730 0.721 0.615 1.000 0.833 N 0.847 Z: 19 21.329 1.926 0.872 0.888 0.833 0.611 CB 1.206 19 residues pruned to eliminate duplicates Z: 13 10.584 1.924 0.479 0.823 0.750 0.250 CB 1.082 13 residues pruned to eliminate duplicates Z: 9 6.679 1.836 0.672 0.597 0.875 0.875 CB 0.802 Z: 16 19.317 1.783 0.751 0.922 1.000 0.600 CB 1.124 16 residues pruned to eliminate duplicates Z: 30 53.005 2.250 1.034 0.808 1.000 0.897 CB 1.644 30 residues pruned to eliminate duplicates Z: 32 44.344 2.123 1.004 0.661 0.935 0.742 CB 1.724 32 residues pruned to eliminate duplicates Z: 105 71.787 2.145 0.936 0.640 0.942 0.644 CB 1.578 105 residues pruned to eliminate duplicates Z: 43 42.061 2.113 0.854 0.602 0.929 0.667 CB 1.619 43 residues pruned to eliminate duplicates Z: 11 16.170 2.043 0.502 0.747 1.000 0.600 CB 1.337 11 residues pruned to eliminate duplicates Z: 26 23.743 1.999 0.403 0.900 1.000 0.840 CB 1.210 26 residues pruned to eliminate duplicates Z: 38 45.465 2.196 0.814 0.701 0.946 0.784 CB 1.651 38 residues pruned to eliminate duplicates Z: 9 8.781 1.696 0.841 0.714 0.875 0.750 CB 0.936 7 residues pruned to eliminate duplicates Z: 27 47.703 2.183 1.049 0.777 0.923 0.885 CB 1.773 27 residues pruned to eliminate duplicates Z: 30 23.559 2.031 0.856 0.425 0.828 0.517 CB 1.517 30 residues pruned to eliminate duplicates Z: 18 29.026 2.014 0.873 0.897 1.000 0.765 CB 1.336 18 residues pruned to eliminate duplicates Z: 14 16.704 1.890 0.953 0.510 0.923 0.769 CB 1.346 12 residues pruned to eliminate duplicates Z: 26 25.198 2.040 0.494 0.848 0.960 0.720 CB 1.278 26 residues pruned to eliminate duplicates Z: 6 5.946 1.356 0.682 0.761 1.000 0.800 CB 0.925 Z: 40 36.144 2.087 0.766 0.575 0.923 0.692 CB 1.583 40 residues pruned to eliminate duplicates Z: 6 3.485 1.469 -0.047 0.604 1.000 0.800 CB 1.008 Z: 13 12.745 1.928 0.926 0.547 0.833 0.750 CB 1.135 14 residues pruned to eliminate duplicates Z: 9 6.352 1.850 0.727 0.265 0.750 0.625 CB 1.226 9 residues pruned to eliminate duplicates Z: 8 8.763 1.650 0.528 0.600 1.000 0.714 CB 1.193 8 residues pruned to eliminate duplicates Z: 10 8.260 1.732 0.408 0.430 0.889 0.556 CB 1.366 10 residues pruned to eliminate duplicates Z: 7 2.542 1.545 0.553 0.083 0.667 0.333 C 1.112 Z: 7 8.395 1.747 0.126 0.893 1.000 1.000 CB 1.251 7 residues pruned to eliminate duplicates Z: 8 2.658 1.435 0.453 0.205 0.714 0.286 CB 0.956 Z: 31 42.421 2.218 0.830 0.734 1.000 0.800 CB 1.546 31 residues pruned to eliminate duplicates Z: 7 4.490 1.385 1.050 0.313 0.833 0.333 C 0.953 Z: 7 8.349 1.737 0.335 0.891 1.000 0.833 CB 1.057 7 residues pruned to eliminate duplicates Z: 41 20.552 1.861 0.537 0.526 0.850 0.550 CB 1.303 41 residues pruned to eliminate duplicates Z: 10 15.719 1.891 1.096 0.725 1.000 1.000 N 1.080 Z: 20 20.375 2.013 0.493 0.851 0.895 0.737 CB 1.287 20 residues pruned to eliminate duplicates Z: 8 3.893 1.527 0.728 0.534 0.857 0.571 CB 0.629 Z: 27 23.083 1.920 0.519 0.836 0.962 0.885 CB 1.208 27 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 19 16.043 2.020 0.548 0.473 0.889 0.611 CB 1.398 19 residues pruned to eliminate duplicates Z: 16 8.885 1.910 0.398 0.377 0.867 0.533 CB 1.130 16 residues pruned to eliminate duplicates Z: 25 14.611 1.896 0.485 0.473 0.833 0.625 CB 1.306 40 residues pruned to eliminate duplicates Z: 27 14.760 1.816 0.542 0.450 0.846 0.577 CB 1.287 27 residues pruned to eliminate duplicates Z: 15 11.910 1.901 0.696 0.457 0.857 0.500 CB 1.203 Z: 7 7.083 1.630 0.829 0.393 1.000 0.500 CB 1.085 7 residues pruned to eliminate duplicates Z: 12 9.462 1.939 0.804 0.384 0.818 0.455 CB 1.128 12 residues pruned to eliminate duplicates Z: 7 7.169 1.509 0.984 0.443 1.000 0.167 CA 1.037 7 residues pruned to eliminate duplicates Z: 6 3.994 1.614 0.368 0.360 0.800 0.600 CA 1.175 4 residues pruned to eliminate duplicates Z: 7 6.875 1.631 0.617 0.443 1.000 0.833 N 1.129 7 residues pruned to eliminate duplicates Z: 32 49.787 2.219 0.960 0.784 1.000 0.742 CB 1.601 32 residues pruned to eliminate duplicates Z: 41 55.750 2.278 0.903 0.772 0.950 0.675 CB 1.683 43 residues pruned to eliminate duplicates Z: 6 6.984 1.755 0.557 0.407 1.000 0.800 CA 1.260 6 residues pruned to eliminate duplicates Z: 98 62.275 2.184 0.781 0.636 0.918 0.567 CB 1.560 98 residues pruned to eliminate duplicates Z: 42 47.511 2.216 0.816 0.748 0.902 0.561 CB 1.637 42 residues pruned to eliminate duplicates Z: 43 53.322 2.236 0.912 0.723 0.952 0.524 CB 1.653 43 residues pruned to eliminate duplicates Z: 43 52.970 2.225 0.930 0.749 0.929 0.619 CB 1.640 43 residues pruned to eliminate duplicates Z: 56 58.381 2.207 0.925 0.689 0.945 0.691 CB 1.648 56 residues pruned to eliminate duplicates Z: 40 55.121 2.308 0.910 0.784 0.923 0.564 CB 1.689 40 residues pruned to eliminate duplicates Z: 31 47.410 2.256 0.930 0.761 0.967 0.733 CB 1.631 31 residues pruned to eliminate duplicates Z: 32 41.641 2.200 0.879 0.738 0.903 0.774 CB 1.618 32 residues pruned to eliminate duplicates Z: 31 49.616 2.276 0.932 0.778 1.000 0.700 CB 1.612 31 residues pruned to eliminate duplicates Z: 83 71.194 2.222 0.908 0.682 0.951 0.695 CB 1.649 83 residues pruned to eliminate duplicates Z: 32 45.240 2.203 1.012 0.741 0.935 0.742 CB 1.579 32 residues pruned to eliminate duplicates Z: 94 70.285 2.221 0.878 0.670 0.946 0.624 CB 1.579 94 residues pruned to eliminate duplicates Z: 31 48.511 2.268 0.963 0.784 0.933 0.800 CB 1.660 31 residues pruned to eliminate duplicates Z: 82 71.878 2.248 0.873 0.695 0.963 0.691 CB 1.648 82 residues pruned to eliminate duplicates Z: 32 47.068 2.224 0.882 0.760 0.968 0.806 CB 1.656 32 residues pruned to eliminate duplicates Z: 41 51.803 2.229 0.806 0.742 0.975 0.600 CB 1.681 41 residues pruned to eliminate duplicates Z: 43 49.249 2.159 0.904 0.716 0.952 0.690 CB 1.597 43 residues pruned to eliminate duplicates Z: 54 55.140 2.211 0.846 0.681 0.943 0.698 CB 1.665 54 residues pruned to eliminate duplicates Z: 32 42.928 2.192 0.877 0.727 0.968 0.774 CB 1.577 32 residues pruned to eliminate duplicates Z: 55 52.707 2.181 0.829 0.658 0.981 0.741 CB 1.582 55 residues pruned to eliminate duplicates Z: 41 58.221 2.238 0.982 0.780 0.975 0.725 CB 1.662 41 residues pruned to eliminate duplicates Z: 69 52.688 2.082 0.862 0.624 0.985 0.691 CB 1.488 69 residues pruned to eliminate duplicates Z: 53 52.912 2.218 0.757 0.693 0.962 0.692 CB 1.641 53 residues pruned to eliminate duplicates Z: 82 69.756 2.253 0.835 0.672 0.963 0.667 CB 1.662 82 residues pruned to eliminate duplicates Z: 54 55.224 2.213 0.830 0.690 0.962 0.736 CB 1.636 54 residues pruned to eliminate duplicates Z: 99 63.716 2.141 0.844 0.617 0.939 0.592 CB 1.555 99 residues pruned to eliminate duplicates Z: 53 61.925 2.245 0.901 0.717 0.981 0.692 CB 1.687 53 residues pruned to eliminate duplicates Z: 42 52.325 2.235 0.841 0.772 0.951 0.634 CB 1.642 42 residues pruned to eliminate duplicates Z: 81 73.045 2.261 0.897 0.708 0.975 0.725 CB 1.617 81 residues pruned to eliminate duplicates Z: 9 22.097 2.292 0.982 0.742 0.875 0.250 CB 1.582 9 residues pruned to eliminate duplicates Z: 81 73.470 2.258 0.912 0.682 0.975 0.688 CB 1.651 80 residues pruned to eliminate duplicates Z: 8 4.089 1.696 0.750 0.400 0.714 0.286 CB 0.810 Z: 6 6.036 1.587 0.682 0.428 1.000 0.800 CA 1.090 Z: 6 5.888 1.632 0.879 0.403 0.800 0.800 CA 1.188 6 residues pruned to eliminate duplicates Z: 14 21.208 2.053 1.127 0.470 0.923 0.692 CB 1.504 14 residues pruned to eliminate duplicates Z: 57 49.497 2.163 0.795 0.654 0.929 0.607 CB 1.590 57 residues pruned to eliminate duplicates Z: 83 73.599 2.249 0.939 0.684 0.963 0.695 CB 1.634 83 residues pruned to eliminate duplicates Z: 53 56.592 2.198 0.884 0.710 0.942 0.769 CB 1.662 53 residues pruned to eliminate duplicates Z: 101 67.257 2.181 0.874 0.634 0.940 0.680 CB 1.544 101 residues pruned to eliminate duplicates Z: 62 44.794 2.137 0.805 0.570 0.885 0.672 CB 1.569 62 residues pruned to eliminate duplicates Z: 61 45.758 2.143 0.794 0.592 0.950 0.650 CB 1.481 61 residues pruned to eliminate duplicates Z: 33 41.751 2.146 0.965 0.621 0.969 0.594 CB 1.611 33 residues pruned to eliminate duplicates Z: 29 42.249 2.256 0.891 0.676 0.964 0.750 CB 1.651 29 residues pruned to eliminate duplicates Z: 51 39.585 2.083 0.699 0.589 0.980 0.720 CB 1.483 51 residues pruned to eliminate duplicates Z: 27 48.170 2.300 1.003 0.772 1.000 0.846 CB 1.611 27 residues pruned to eliminate duplicates Z: 45 45.247 2.178 0.805 0.662 0.977 0.795 CB 1.528 45 residues pruned to eliminate duplicates Z: 27 46.690 2.276 1.041 0.762 0.962 0.846 CB 1.625 27 residues pruned to eliminate duplicates Z: 29 40.796 2.258 0.745 0.713 1.000 0.786 CB 1.612 29 residues pruned to eliminate duplicates Z: 43 41.823 2.187 0.793 0.629 0.952 0.786 CB 1.530 43 residues pruned to eliminate duplicates Z: 29 42.318 2.225 0.828 0.706 1.000 0.857 CB 1.630 29 residues pruned to eliminate duplicates Z: 46 39.940 2.132 0.764 0.620 0.978 0.667 CB 1.446 46 residues pruned to eliminate duplicates Z: 51 35.921 2.076 0.732 0.567 0.940 0.700 CB 1.409 51 residues pruned to eliminate duplicates Z: 31 44.857 2.186 0.949 0.718 0.967 0.867 CB 1.633 31 residues pruned to eliminate duplicates Z: 30 42.691 2.263 0.920 0.704 0.931 0.828 CB 1.627 30 residues pruned to eliminate duplicates Z: 53 45.940 2.144 0.806 0.644 0.942 0.692 CB 1.526 67 residues pruned to eliminate duplicates Z: 18 37.052 2.164 0.905 0.886 1.000 0.765 CB 1.574 18 residues pruned to eliminate duplicates Z: 46 44.148 2.152 0.786 0.650 0.956 0.756 CB 1.558 46 residues pruned to eliminate duplicates Z: 39 45.038 2.197 0.790 0.729 0.947 0.816 CB 1.596 39 residues pruned to eliminate duplicates Z: 49 41.847 2.124 0.871 0.634 0.917 0.646 CB 1.462 49 residues pruned to eliminate duplicates Z: 44 41.682 2.171 0.709 0.629 0.953 0.814 CB 1.591 44 residues pruned to eliminate duplicates Z: 54 32.925 2.031 0.684 0.517 0.887 0.453 CB 1.467 44 residues pruned to eliminate duplicates Z: 18 37.087 2.239 0.911 0.915 0.941 0.824 CB 1.578 18 residues pruned to eliminate duplicates Z: 28 43.945 2.228 0.990 0.718 0.963 0.852 CB 1.627 28 residues pruned to eliminate duplicates Z: 54 35.696 2.039 0.710 0.555 0.906 0.642 CB 1.472 54 residues pruned to eliminate duplicates Z: 38 53.306 2.248 1.104 0.717 0.973 0.649 CB 1.564 38 residues pruned to eliminate duplicates Z: 30 42.882 2.208 0.984 0.711 0.966 0.759 CB 1.555 30 residues pruned to eliminate duplicates Z: 39 48.103 2.217 0.892 0.719 0.974 0.711 CB 1.568 39 residues pruned to eliminate duplicates Z: 52 41.461 2.100 0.804 0.570 0.941 0.667 CB 1.522 52 residues pruned to eliminate duplicates Z: 97 71.253 2.183 0.896 0.650 0.948 0.667 CB 1.611 97 residues pruned to eliminate duplicates Z: 45 45.290 2.189 0.764 0.649 0.977 0.659 CB 1.575 45 residues pruned to eliminate duplicates Z: 22 19.116 1.995 0.599 0.482 0.952 0.524 CB 1.399 22 residues pruned to eliminate duplicates Z: 21 16.295 1.866 0.668 0.454 1.000 0.500 CB 1.227 21 residues pruned to eliminate duplicates Z: 48 31.296 2.022 0.768 0.536 0.915 0.489 CB 1.347 48 residues pruned to eliminate duplicates Z: 46 43.055 2.155 0.817 0.638 0.978 0.689 CB 1.473 46 residues pruned to eliminate duplicates Z: 54 39.717 2.094 0.749 0.560 0.962 0.679 CB 1.460 54 residues pruned to eliminate duplicates Z: 22 13.956 1.803 0.546 0.425 0.905 0.571 CB 1.305 22 residues pruned to eliminate duplicates Z: 41 47.130 2.171 0.953 0.671 0.950 0.825 CB 1.580 41 residues pruned to eliminate duplicates Z: 53 46.149 2.182 0.806 0.601 0.962 0.750 CB 1.534 53 residues pruned to eliminate duplicates Z: 20 16.101 1.980 0.560 0.514 0.895 0.684 CB 1.318 20 residues pruned to eliminate duplicates Z: 50 37.746 2.074 0.811 0.605 0.918 0.653 CB 1.414 31 residues pruned to eliminate duplicates Z: 6 4.145 1.441 1.371 0.475 1.000 0.800 CA 0.557 Z: 6 4.430 1.388 0.706 0.484 0.800 0.400 CA 1.063 6 residues pruned to eliminate duplicates Z: 13 17.188 2.011 0.823 0.570 0.917 0.750 CA 1.380 13 residues pruned to eliminate duplicates Z: 13 14.443 1.968 0.984 0.490 0.917 0.833 CA 1.177 13 residues pruned to eliminate duplicates Z: 13 16.834 2.048 0.913 0.570 0.917 0.833 CA 1.264 13 residues pruned to eliminate duplicates Z: 13 15.534 1.997 0.943 0.492 0.917 0.667 CA 1.271 13 residues pruned to eliminate duplicates Z: 21 12.745 1.861 0.812 0.400 0.750 0.450 CA 1.251 21 residues pruned to eliminate duplicates Z: 10 8.371 1.870 0.998 0.309 0.778 0.222 CB 1.186 Z: 8 7.866 1.740 0.075 0.848 1.000 0.714 CB 1.180 8 residues pruned to eliminate duplicates Z: 7 7.153 1.751 -0.064 0.862 1.000 1.000 CA 1.308 7 residues pruned to eliminate duplicates Z: 18 9.586 1.580 0.165 0.608 0.882 0.529 CB 1.292 17 residues pruned to eliminate duplicates Z: 8 6.111 1.780 -0.071 0.828 0.857 0.714 CB 1.227 7 residues pruned to eliminate duplicates Z: 9 6.103 1.697 0.001 0.864 0.875 0.750 CA 1.064 9 residues pruned to eliminate duplicates Z: 8 6.050 1.731 0.032 0.757 0.857 0.714 CB 1.188 8 residues pruned to eliminate duplicates Z: 13 16.071 1.909 0.885 0.467 0.833 0.583 CB 1.600 13 residues pruned to eliminate duplicates Z: 16 14.330 1.835 0.825 0.401 0.933 0.467 CB 1.315 16 residues pruned to eliminate duplicates Z: 13 14.474 1.920 0.755 0.431 0.833 0.667 CB 1.598 13 residues pruned to eliminate duplicates Z: 54 45.178 2.126 0.909 0.621 0.925 0.642 CB 1.476 54 residues pruned to eliminate duplicates Z: 14 12.386 1.820 0.691 0.488 0.923 0.462 CB 1.223 14 residues pruned to eliminate duplicates Z: 12 13.306 1.897 0.942 0.453 0.818 0.636 CB 1.396 12 residues pruned to eliminate duplicates Z: 8 6.988 1.837 0.792 0.419 1.000 0.571 CB 0.873 8 residues pruned to eliminate duplicates Z: 16 11.272 1.753 0.688 0.321 0.800 0.533 CB 1.497 16 residues pruned to eliminate duplicates Z: 8 4.322 1.719 0.625 0.295 0.714 0.571 CB 1.030 8 residues pruned to eliminate duplicates Z: 52 38.729 2.047 0.720 0.722 0.941 0.667 CB 1.339 52 residues pruned to eliminate duplicates Z: 6 6.013 1.747 0.980 0.298 0.800 0.600 N 1.218 6 residues pruned to eliminate duplicates Z: 51 36.566 2.070 0.697 0.689 0.900 0.640 CB 1.376 51 residues pruned to eliminate duplicates Z: 46 35.547 2.101 0.552 0.739 0.933 0.622 CB 1.405 46 residues pruned to eliminate duplicates Z: 21 30.768 2.134 0.667 0.752 1.000 0.800 CB 1.546 21 residues pruned to eliminate duplicates Z: 32 32.077 2.139 0.580 0.752 0.935 0.839 CB 1.456 32 residues pruned to eliminate duplicates Z: 21 26.695 2.061 0.824 0.697 0.950 0.800 CB 1.396 21 residues pruned to eliminate duplicates Z: 32 23.118 1.954 0.643 0.590 0.935 0.581 CB 1.268 32 residues pruned to eliminate duplicates Z: 51 33.614 2.080 0.508 0.721 0.900 0.680 CB 1.379 51 residues pruned to eliminate duplicates Z: 39 36.101 2.102 0.661 0.784 0.947 0.737 CB 1.379 39 residues pruned to eliminate duplicates Z: 17 24.335 2.133 0.747 0.691 0.938 0.750 CB 1.462 17 residues pruned to eliminate duplicates Z: 52 33.419 2.021 0.576 0.692 0.922 0.608 CB 1.338 52 residues pruned to eliminate duplicates Z: 22 30.651 2.113 0.631 0.759 1.000 0.810 CB 1.542 22 residues pruned to eliminate duplicates Z: 40 31.619 2.107 0.569 0.782 0.872 0.718 CB 1.370 40 residues pruned to eliminate duplicates Z: 39 35.018 2.131 0.565 0.816 0.921 0.737 CB 1.405 39 residues pruned to eliminate duplicates Z: 51 41.621 2.071 0.757 0.729 0.960 0.660 CB 1.371 51 residues pruned to eliminate duplicates Z: 26 25.145 2.038 0.446 0.888 0.960 0.680 CB 1.280 26 residues pruned to eliminate duplicates Z: 47 34.621 2.088 0.633 0.702 0.891 0.652 CB 1.398 47 residues pruned to eliminate duplicates Z: 45 31.927 2.029 0.594 0.717 0.909 0.682 CB 1.345 45 residues pruned to eliminate duplicates Z: 44 30.052 2.015 0.575 0.726 0.930 0.628 CB 1.266 44 residues pruned to eliminate duplicates Z: 47 37.370 2.096 0.611 0.725 0.935 0.717 CB 1.424 47 residues pruned to eliminate duplicates Z: 46 29.819 2.046 0.533 0.688 0.911 0.578 CB 1.310 46 residues pruned to eliminate duplicates Z: 50 35.190 2.094 0.673 0.694 0.898 0.653 CB 1.338 50 residues pruned to eliminate duplicates Z: 39 40.185 2.122 0.745 0.810 0.974 0.711 CB 1.381 39 residues pruned to eliminate duplicates Z: 51 40.767 2.083 0.764 0.727 0.960 0.580 CB 1.332 51 residues pruned to eliminate duplicates Z: 46 36.450 2.067 0.715 0.705 0.933 0.711 CB 1.364 46 residues pruned to eliminate duplicates Z: 39 35.516 2.119 0.723 0.814 0.895 0.658 CB 1.342 39 residues pruned to eliminate duplicates Z: 39 38.564 2.122 0.693 0.818 0.974 0.711 CB 1.356 39 residues pruned to eliminate duplicates Z: 38 34.308 2.140 0.600 0.781 0.919 0.568 CB 1.400 38 residues pruned to eliminate duplicates Z: 39 39.916 2.126 0.735 0.798 0.974 0.684 CB 1.390 39 residues pruned to eliminate duplicates Z: 52 36.467 2.039 0.690 0.712 0.922 0.686 CB 1.326 52 residues pruned to eliminate duplicates Z: 51 39.736 2.073 0.732 0.715 0.940 0.620 CB 1.371 51 residues pruned to eliminate duplicates Z: 50 38.151 2.090 0.722 0.694 0.939 0.612 CB 1.351 50 residues pruned to eliminate duplicates Z: 51 42.048 2.071 0.806 0.714 0.960 0.640 CB 1.363 51 residues pruned to eliminate duplicates Z: 42 36.262 2.100 0.663 0.744 0.951 0.634 CB 1.370 42 residues pruned to eliminate duplicates Z: 18 15.400 1.938 0.764 0.607 0.824 0.412 CB 1.198 18 residues pruned to eliminate duplicates Z: 22 19.622 1.965 0.753 0.601 0.905 0.476 CB 1.248 22 residues pruned to eliminate duplicates Z: 10 5.217 1.788 0.587 0.375 0.889 0.667 CB 0.788 10 residues pruned to eliminate duplicates Z: 10 10.223 1.816 0.866 0.475 0.889 0.778 CB 1.160 10 residues pruned to eliminate duplicates Z: 33 24.358 1.943 0.624 0.614 0.906 0.750 CB 1.352 33 residues pruned to eliminate duplicates Z: 32 31.287 1.973 0.823 0.644 0.935 0.806 CB 1.459 59 residues pruned to eliminate duplicates Z: 6 5.472 2.028 0.289 0.286 0.800 0.200 CB 1.490 Z: 6 5.584 1.739 0.717 0.297 0.800 0.400 CB 1.312 4 residues pruned to eliminate duplicates Z: 6 3.223 1.505 0.255 0.408 0.800 0.600 N 1.050 Z: 15 20.757 1.973 0.635 0.798 1.000 0.786 CB 1.325 3 residues pruned to eliminate duplicates Z: 18 18.968 1.873 0.498 0.767 1.000 0.647 CB 1.295 18 residues pruned to eliminate duplicates Z: 27 34.418 1.986 0.952 0.771 1.000 0.846 CB 1.370 26 residues pruned to eliminate duplicates Z: 13 22.084 1.938 0.748 0.910 1.000 0.833 CB 1.335 13 residues pruned to eliminate duplicates Z: 31 26.696 1.876 0.697 0.693 0.967 0.700 CB 1.328 31 residues pruned to eliminate duplicates Z: 15 20.613 1.886 0.504 0.925 1.000 0.857 CB 1.363 15 residues pruned to eliminate duplicates Z: 25 35.539 2.036 1.029 0.759 1.000 0.833 CB 1.395 25 residues pruned to eliminate duplicates Z: 14 23.212 1.915 0.771 0.934 1.000 0.846 CB 1.324 14 residues pruned to eliminate duplicates Z: 30 28.204 1.871 0.768 0.704 1.000 0.724 CB 1.315 30 residues pruned to eliminate duplicates Z: 27 31.289 1.978 0.838 0.728 1.000 0.769 CB 1.375 27 residues pruned to eliminate duplicates Z: 27 31.134 1.966 0.832 0.752 1.000 0.769 CB 1.355 27 residues pruned to eliminate duplicates Z: 27 33.057 1.980 0.930 0.732 1.000 0.731 CB 1.377 27 residues pruned to eliminate duplicates Z: 28 31.183 1.951 0.883 0.770 0.963 0.704 CB 1.335 28 residues pruned to eliminate duplicates Z: 27 32.221 1.965 0.890 0.758 1.000 0.654 CB 1.352 27 residues pruned to eliminate duplicates Z: 27 33.405 1.984 0.944 0.776 1.000 0.769 CB 1.331 27 residues pruned to eliminate duplicates Z: 39 48.535 2.245 0.942 0.751 0.947 0.737 CB 1.524 39 residues pruned to eliminate duplicates Z: 46 48.826 2.290 0.726 0.739 0.956 0.711 CB 1.555 46 residues pruned to eliminate duplicates Z: 6 8.877 1.771 0.938 0.487 1.000 0.800 CA 1.172 6 residues pruned to eliminate duplicates Z: 39 38.581 2.224 0.758 0.666 0.921 0.684 CB 1.490 39 residues pruned to eliminate duplicates Z: 80 62.090 2.222 0.717 0.709 0.962 0.671 CB 1.575 80 residues pruned to eliminate duplicates Z: 39 52.830 2.336 0.714 0.819 0.974 0.737 CB 1.667 39 residues pruned to eliminate duplicates Z: 78 65.843 2.257 0.865 0.711 0.935 0.688 CB 1.574 78 residues pruned to eliminate duplicates Z: 6 5.605 1.787 0.386 0.396 0.800 0.600 N 1.412 Z: 6 8.949 1.886 0.707 0.336 1.000 0.600 CB 1.486 Z: 28 35.347 2.192 0.543 0.827 0.963 0.630 CB 1.575 28 residues pruned to eliminate duplicates Z: 46 49.593 2.252 0.777 0.709 0.933 0.578 CB 1.638 52 residues pruned to eliminate duplicates Z: 27 46.714 2.283 0.818 0.894 1.000 0.615 CB 1.583 27 residues pruned to eliminate duplicates Z: 42 53.142 2.299 0.925 0.755 0.951 0.659 CB 1.570 42 residues pruned to eliminate duplicates Z: 27 38.075 2.260 0.622 0.891 0.962 0.577 CB 1.523 27 residues pruned to eliminate duplicates Z: 39 58.133 2.344 0.879 0.810 0.974 0.711 CB 1.679 39 residues pruned to eliminate duplicates Z: 50 43.906 2.230 0.843 0.679 0.898 0.551 CB 1.442 50 residues pruned to eliminate duplicates Z: 81 57.789 2.185 0.851 0.649 0.925 0.650 CB 1.503 81 residues pruned to eliminate duplicates Z: 41 49.917 2.252 0.919 0.767 0.925 0.675 CB 1.559 41 residues pruned to eliminate duplicates Z: 40 54.384 2.276 1.009 0.791 0.949 0.769 CB 1.555 40 residues pruned to eliminate duplicates Z: 42 53.172 2.271 0.893 0.760 0.951 0.707 CB 1.612 42 residues pruned to eliminate duplicates Z: 40 50.433 2.299 0.804 0.756 0.949 0.744 CB 1.634 40 residues pruned to eliminate duplicates Z: 54 47.114 2.297 0.702 0.678 0.906 0.566 CB 1.552 54 residues pruned to eliminate duplicates Z: 80 66.924 2.254 0.813 0.706 0.962 0.696 CB 1.588 80 residues pruned to eliminate duplicates Z: 38 55.091 2.352 0.793 0.814 0.973 0.730 CB 1.680 38 residues pruned to eliminate duplicates Z: 80 66.279 2.231 0.846 0.710 0.962 0.747 CB 1.555 80 residues pruned to eliminate duplicates Z: 38 60.421 2.336 0.926 0.806 1.000 0.730 CB 1.690 39 residues pruned to eliminate duplicates Z: 26 48.004 2.299 0.798 0.899 1.000 0.840 CB 1.661 26 residues pruned to eliminate duplicates Z: 78 65.378 2.259 0.839 0.693 0.948 0.636 CB 1.585 78 residues pruned to eliminate duplicates Z: 47 54.764 2.279 0.832 0.728 0.957 0.717 CB 1.647 47 residues pruned to eliminate duplicates Z: 81 62.106 2.208 0.814 0.678 0.975 0.725 CB 1.509 81 residues pruned to eliminate duplicates Z: 55 52.957 2.275 0.822 0.692 0.926 0.630 CB 1.575 55 residues pruned to eliminate duplicates Z: 13 14.752 2.157 0.420 0.641 0.833 0.500 CB 1.462 13 residues pruned to eliminate duplicates Z: 40 53.078 2.309 0.790 0.787 0.949 0.744 CB 1.684 40 residues pruned to eliminate duplicates Z: 52 50.857 2.255 0.901 0.683 0.882 0.529 CB 1.591 52 residues pruned to eliminate duplicates Z: 9 15.735 2.208 0.253 0.869 0.875 0.875 CB 1.678 9 residues pruned to eliminate duplicates Z: 79 64.351 2.236 0.835 0.684 0.949 0.718 CB 1.581 79 residues pruned to eliminate duplicates Z: 56 52.674 2.267 0.803 0.690 0.964 0.655 CB 1.516 56 residues pruned to eliminate duplicates Z: 56 48.462 2.209 0.779 0.640 0.945 0.600 CB 1.543 56 residues pruned to eliminate duplicates Z: 19 16.707 2.095 0.653 0.384 0.889 0.444 CB 1.447 19 residues pruned to eliminate duplicates Z: 17 18.417 2.175 0.776 0.419 0.938 0.438 CB 1.383 17 residues pruned to eliminate duplicates Z: 42 39.305 2.161 0.889 0.603 0.902 0.634 CB 1.511 42 residues pruned to eliminate duplicates Z: 42 38.650 2.150 0.864 0.576 0.902 0.634 CB 1.552 42 residues pruned to eliminate duplicates Z: 77 58.405 2.222 0.798 0.661 0.934 0.684 CB 1.546 77 residues pruned to eliminate duplicates Z: 41 39.340 2.164 0.847 0.594 0.925 0.650 CB 1.538 41 residues pruned to eliminate duplicates Z: 51 39.572 2.110 0.842 0.570 0.900 0.560 CB 1.495 51 residues pruned to eliminate duplicates Z: 42 42.277 2.152 0.924 0.614 0.927 0.659 CB 1.544 42 residues pruned to eliminate duplicates Z: 77 53.702 2.156 0.780 0.637 0.947 0.697 CB 1.491 77 residues pruned to eliminate duplicates Z: 42 41.689 2.161 0.865 0.599 0.951 0.659 CB 1.546 42 residues pruned to eliminate duplicates Z: 41 42.219 2.165 0.975 0.609 0.925 0.675 CB 1.522 41 residues pruned to eliminate duplicates Z: 42 40.996 2.125 0.945 0.623 0.951 0.732 CB 1.449 42 residues pruned to eliminate duplicates Z: 43 40.190 2.109 0.940 0.595 0.952 0.667 CB 1.453 43 residues pruned to eliminate duplicates Z: 29 36.349 2.102 0.937 0.652 0.964 0.607 CB 1.519 29 residues pruned to eliminate duplicates Z: 42 40.570 2.145 0.966 0.606 0.902 0.561 CB 1.505 41 residues pruned to eliminate duplicates Z: 8 6.226 1.818 0.408 0.506 0.714 0.286 C 1.280 8 residues pruned to eliminate duplicates Z: 54 36.646 2.066 0.951 0.584 0.830 0.679 CB 1.388 54 residues pruned to eliminate duplicates Z: 28 36.448 2.101 0.968 0.722 0.963 0.778 CB 1.441 28 residues pruned to eliminate duplicates Z: 26 38.385 2.101 0.917 0.730 1.000 0.760 CB 1.550 26 residues pruned to eliminate duplicates Z: 29 36.895 2.064 0.938 0.682 0.964 0.750 CB 1.529 29 residues pruned to eliminate duplicates Z: 42 41.388 2.123 0.961 0.631 0.976 0.780 CB 1.407 42 residues pruned to eliminate duplicates Z: 36 42.005 2.181 0.944 0.677 0.943 0.686 CB 1.508 37 residues pruned to eliminate duplicates Z: 14 26.075 1.995 0.924 0.907 1.000 0.769 CB 1.339 14 residues pruned to eliminate duplicates Z: 15 24.014 1.939 0.880 0.902 1.000 0.857 CB 1.256 15 residues pruned to eliminate duplicates Z: 17 23.265 1.788 0.928 0.900 1.000 0.625 CB 1.205 16 residues pruned to eliminate duplicates Z: 16 24.363 1.891 0.914 0.902 1.000 0.867 CB 1.239 16 residues pruned to eliminate duplicates Z: 28 31.215 2.047 0.869 0.717 0.926 0.667 CB 1.394 28 residues pruned to eliminate duplicates Z: 42 39.437 2.129 0.940 0.614 0.902 0.707 CB 1.483 42 residues pruned to eliminate duplicates Z: 41 44.029 2.168 1.035 0.638 0.950 0.725 CB 1.459 42 residues pruned to eliminate duplicates Z: 14 31.346 1.987 1.164 0.930 1.000 0.615 CB 1.413 14 residues pruned to eliminate duplicates Z: 6 6.862 1.953 0.574 0.355 1.000 0.400 CB 1.168 6 residues pruned to eliminate duplicates Z: 42 63.745 2.225 1.115 0.790 0.976 0.707 CB 1.681 42 residues pruned to eliminate duplicates Z: 15 38.373 2.152 1.193 0.776 1.000 0.857 CA 1.703 15 residues pruned to eliminate duplicates Z: 53 62.874 2.236 0.988 0.746 0.962 0.808 CB 1.637 53 residues pruned to eliminate duplicates Z: 43 61.053 2.193 1.091 0.784 0.976 0.690 CB 1.639 43 residues pruned to eliminate duplicates Z: 44 51.718 2.156 0.890 0.759 0.977 0.698 CB 1.574 44 residues pruned to eliminate duplicates Z: 45 54.578 2.159 1.001 0.762 0.932 0.682 CB 1.619 45 residues pruned to eliminate duplicates Z: 26 30.470 2.062 0.970 0.579 0.920 0.680 CA 1.511 26 residues pruned to eliminate duplicates Z: 54 62.835 2.199 1.008 0.738 0.981 0.774 CB 1.609 54 residues pruned to eliminate duplicates Z: 44 54.725 2.198 1.063 0.745 0.907 0.791 CB 1.630 44 residues pruned to eliminate duplicates Z: 41 61.126 2.212 1.088 0.826 0.950 0.675 CB 1.661 41 residues pruned to eliminate duplicates Z: 53 63.239 2.230 0.929 0.749 0.981 0.769 CB 1.665 53 residues pruned to eliminate duplicates Z: 42 55.413 2.176 0.912 0.785 0.976 0.707 CA 1.659 42 residues pruned to eliminate duplicates Z: 44 56.228 2.164 0.974 0.767 0.977 0.837 CB 1.622 44 residues pruned to eliminate duplicates Z: 54 56.065 2.179 0.868 0.708 0.981 0.736 CB 1.596 54 residues pruned to eliminate duplicates Z: 54 52.372 2.183 0.737 0.724 0.981 0.679 CB 1.580 54 residues pruned to eliminate duplicates Z: 42 56.752 2.221 0.952 0.783 0.951 0.780 CA 1.675 42 residues pruned to eliminate duplicates Z: 53 53.899 2.216 0.705 0.723 0.981 0.731 CB 1.649 53 residues pruned to eliminate duplicates Z: 54 55.239 2.159 0.807 0.729 0.962 0.717 CB 1.645 54 residues pruned to eliminate duplicates Z: 41 62.126 2.223 1.016 0.827 0.975 0.800 CB 1.693 41 residues pruned to eliminate duplicates Z: 53 53.383 2.193 0.786 0.717 0.962 0.769 CB 1.615 53 residues pruned to eliminate duplicates Z: 43 56.497 2.202 0.889 0.779 0.952 0.667 CB 1.720 43 residues pruned to eliminate duplicates Z: 53 52.838 2.187 0.817 0.718 0.962 0.750 CB 1.574 53 residues pruned to eliminate duplicates Z: 53 58.848 2.225 0.828 0.748 0.981 0.846 CB 1.638 53 residues pruned to eliminate duplicates Z: 83 72.899 2.204 0.929 0.705 0.963 0.695 CB 1.631 83 residues pruned to eliminate duplicates Z: 55 56.800 2.180 0.866 0.716 0.981 0.667 CB 1.592 55 residues pruned to eliminate duplicates Z: 42 60.402 2.211 1.012 0.818 0.976 0.878 CB 1.650 42 residues pruned to eliminate duplicates Z: 37 46.316 2.166 0.816 0.742 1.000 0.778 CA 1.581 37 residues pruned to eliminate duplicates Z: 54 52.786 2.164 0.803 0.688 0.962 0.736 CB 1.625 54 residues pruned to eliminate duplicates Z: 42 53.006 2.183 0.922 0.775 0.976 0.732 CB 1.586 42 residues pruned to eliminate duplicates Z: 44 33.945 2.081 0.498 0.646 0.953 0.628 CB 1.520 44 residues pruned to eliminate duplicates Z: 51 48.607 2.178 0.806 0.704 0.940 0.760 CB 1.544 51 residues pruned to eliminate duplicates Z: 83 67.994 2.196 0.831 0.710 0.951 0.768 CB 1.622 83 residues pruned to eliminate duplicates Z: 53 55.546 2.213 0.747 0.735 0.981 0.769 CB 1.644 53 residues pruned to eliminate duplicates Z: 42 56.693 2.227 0.855 0.778 1.000 0.732 CB 1.677 42 residues pruned to eliminate duplicates Z: 42 50.394 2.207 0.808 0.762 0.951 0.854 CB 1.644 42 residues pruned to eliminate duplicates Z: 46 49.186 2.147 0.896 0.743 0.933 0.733 CB 1.552 46 residues pruned to eliminate duplicates Z: 54 54.627 2.191 0.861 0.719 0.943 0.698 CB 1.601 54 residues pruned to eliminate duplicates Z: 54 58.147 2.208 0.837 0.742 0.981 0.792 CB 1.615 54 residues pruned to eliminate duplicates Z: 50 42.271 2.087 0.785 0.616 0.898 0.735 CB 1.617 50 residues pruned to eliminate duplicates Z: 49 34.820 2.034 0.795 0.562 0.854 0.667 CB 1.518 49 residues pruned to eliminate duplicates Z: 15 16.518 2.069 0.519 0.534 1.000 0.643 CB 1.358 15 residues pruned to eliminate duplicates Z: 13 14.418 2.116 0.413 0.456 0.917 0.500 CB 1.589 13 residues pruned to eliminate duplicates Z: 13 17.971 2.098 0.819 0.531 0.917 0.667 CB 1.438 13 residues pruned to eliminate duplicates Z: 13 12.464 2.053 0.642 0.318 0.833 0.417 CB 1.566 13 residues pruned to eliminate duplicates Z: 12 13.318 2.036 0.554 0.440 1.000 0.727 CB 1.350 12 residues pruned to eliminate duplicates Z: 8 3.259 1.631 0.023 0.146 0.857 0.286 N 1.333 Z: 43 40.335 2.116 0.886 0.570 0.905 0.619 CB 1.611 51 residues pruned to eliminate duplicates Z: 36 33.105 2.088 0.784 0.550 0.886 0.686 CB 1.615 36 residues pruned to eliminate duplicates Z: 12 16.337 2.182 0.614 0.514 0.909 0.727 CB 1.517 12 residues pruned to eliminate duplicates Z: 82 72.797 2.188 0.981 0.713 0.951 0.741 CB 1.619 82 residues pruned to eliminate duplicates Z: 43 47.334 2.140 0.953 0.630 0.952 0.714 CB 1.623 43 residues pruned to eliminate duplicates Z: 30 50.736 2.145 1.164 0.666 1.000 0.724 CB 1.741 30 residues pruned to eliminate duplicates Z: 28 49.307 2.189 1.050 0.712 1.000 0.815 CA 1.745 28 residues pruned to eliminate duplicates Z: 42 48.556 2.152 1.025 0.619 0.951 0.683 CB 1.635 42 residues pruned to eliminate duplicates Z: 43 45.814 2.127 0.928 0.611 0.952 0.667 CB 1.629 43 residues pruned to eliminate duplicates Z: 28 53.196 2.234 1.070 0.715 1.000 0.778 CB 1.822 28 residues pruned to eliminate duplicates Z: 83 71.217 2.199 0.854 0.703 0.976 0.695 CB 1.644 83 residues pruned to eliminate duplicates Z: 29 49.767 2.204 1.067 0.688 0.964 0.750 CB 1.802 29 residues pruned to eliminate duplicates Z: 33 38.489 2.138 0.994 0.600 0.906 0.750 CB 1.601 33 residues pruned to eliminate duplicates Z: 30 49.877 2.163 1.121 0.688 0.966 0.724 CB 1.760 30 residues pruned to eliminate duplicates Z: 28 47.770 2.202 1.012 0.723 0.963 0.778 CB 1.763 28 residues pruned to eliminate duplicates Z: 29 53.490 2.180 1.134 0.707 1.000 0.786 CB 1.800 29 residues pruned to eliminate duplicates Z: 82 70.266 2.201 0.832 0.701 0.951 0.741 CB 1.695 82 residues pruned to eliminate duplicates Z: 28 51.960 2.236 1.253 0.727 0.889 0.778 CB 1.819 28 residues pruned to eliminate duplicates Z: 27 51.088 2.259 1.148 0.692 0.962 0.731 CB 1.801 27 residues pruned to eliminate duplicates Z: 28 53.768 2.237 1.158 0.731 0.963 0.778 CB 1.809 28 residues pruned to eliminate duplicates Z: 28 54.281 2.230 1.121 0.724 1.000 0.704 CB 1.805 28 residues pruned to eliminate duplicates Z: 54 49.646 2.158 0.929 0.573 0.943 0.623 CB 1.618 54 residues pruned to eliminate duplicates Z: 44 45.322 2.149 0.953 0.578 0.930 0.628 CB 1.642 44 residues pruned to eliminate duplicates Z: 29 52.444 2.187 1.264 0.705 0.964 0.643 CB 1.723 29 residues pruned to eliminate duplicates Z: 47 63.008 2.204 1.142 0.694 0.935 0.761 CB 1.763 47 residues pruned to eliminate duplicates Z: 28 58.128 2.223 1.249 0.740 1.000 0.667 CB 1.805 28 residues pruned to eliminate duplicates Z: 30 48.533 2.168 1.182 0.678 0.966 0.621 CB 1.675 30 residues pruned to eliminate duplicates Z: 42 46.101 2.119 1.021 0.590 0.951 0.537 CB 1.621 42 residues pruned to eliminate duplicates Z: 28 47.851 2.190 1.307 0.723 0.889 0.444 CB 1.677 28 residues pruned to eliminate duplicates Z: 42 44.770 2.117 0.996 0.593 0.951 0.463 CB 1.592 42 residues pruned to eliminate duplicates Z: 31 43.710 2.093 1.150 0.632 0.967 0.400 CB 1.621 31 residues pruned to eliminate duplicates Z: 53 50.109 2.135 1.049 0.597 0.923 0.481 CB 1.568 53 residues pruned to eliminate duplicates Z: 52 48.939 2.133 1.046 0.605 0.882 0.451 CB 1.611 52 residues pruned to eliminate duplicates Z: 55 46.253 2.075 0.925 0.610 0.944 0.481 CB 1.503 55 residues pruned to eliminate duplicates Z: 60 45.873 2.118 0.937 0.545 0.915 0.576 CB 1.522 60 residues pruned to eliminate duplicates Z: 16 15.818 2.052 0.331 0.541 1.000 0.533 CB 1.436 16 residues pruned to eliminate duplicates Z: 52 55.275 2.185 1.050 0.621 0.961 0.725 CB 1.605 52 residues pruned to eliminate duplicates Z: 59 46.137 2.065 0.839 0.575 0.948 0.569 CB 1.566 59 residues pruned to eliminate duplicates Z: 52 48.196 2.090 0.872 0.622 1.000 0.706 CB 1.538 52 residues pruned to eliminate duplicates Z: 54 49.090 2.138 0.911 0.607 0.943 0.679 CB 1.580 54 residues pruned to eliminate duplicates Z: 107 68.300 2.136 0.912 0.608 0.962 0.642 CB 1.524 148 residues pruned to eliminate duplicates Z: 11 17.979 2.143 0.531 0.736 1.000 0.400 CB 1.402 11 residues pruned to eliminate duplicates Z: 26 22.694 2.046 0.647 0.492 0.960 0.600 CB 1.414 26 residues pruned to eliminate duplicates Z: 25 28.738 2.133 0.775 0.532 1.000 0.458 CB 1.501 25 residues pruned to eliminate duplicates Z: 52 56.650 2.167 1.115 0.647 0.961 0.647 CB 1.570 52 residues pruned to eliminate duplicates Z: 29 22.911 2.015 0.716 0.507 0.929 0.607 CB 1.339 29 residues pruned to eliminate duplicates Z: 30 27.199 2.000 0.841 0.553 0.931 0.552 CB 1.399 30 residues pruned to eliminate duplicates Z: 30 24.647 2.012 0.784 0.571 0.966 0.724 CB 1.233 30 residues pruned to eliminate duplicates Z: 30 24.876 2.034 0.772 0.529 0.897 0.690 CB 1.390 30 residues pruned to eliminate duplicates Z: 14 18.247 1.990 0.965 0.491 0.923 0.615 CA 1.415 14 residues pruned to eliminate duplicates Z: 12 24.706 2.208 1.152 0.621 1.000 0.636 CB 1.399 12 residues pruned to eliminate duplicates Z: 28 21.889 1.980 0.889 0.539 0.889 0.519 CB 1.220 28 residues pruned to eliminate duplicates Z: 105 70.606 2.132 0.924 0.627 0.981 0.654 CB 1.527 105 residues pruned to eliminate duplicates Z: 68 57.886 2.147 0.978 0.608 0.970 0.701 CB 1.549 68 residues pruned to eliminate duplicates Z: 30 30.433 2.008 0.924 0.572 0.966 0.655 CB 1.413 30 residues pruned to eliminate duplicates Z: 28 24.447 2.020 0.780 0.502 0.926 0.630 CB 1.410 28 residues pruned to eliminate duplicates Z: 106 70.929 2.120 0.975 0.637 0.943 0.714 CB 1.542 106 residues pruned to eliminate duplicates Z: 42 27.073 1.890 0.821 0.534 0.854 0.512 CB 1.392 42 residues pruned to eliminate duplicates Z: 56 55.071 2.131 1.010 0.616 0.964 0.618 CB 1.612 56 residues pruned to eliminate duplicates Z: 47 36.673 2.014 0.942 0.624 0.870 0.543 CB 1.414 47 residues pruned to eliminate duplicates 377 residues left after pruning, divided into chains as follows: A: 8 B: 8 C: 14 D: 98 E: 24 F: 27 G: 198 CC for partial structure against native data = 34.80 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.436, Connect. = 0.736 for dens.mod. cycle 1 = 0.300, Contrast = 0.496, Connect. = 0.755 for dens.mod. cycle 2 = 0.300, Contrast = 0.578, Connect. = 0.783 for dens.mod. cycle 3 = 0.300, Contrast = 0.582, Connect. = 0.784 for dens.mod. cycle 4 = 0.300, Contrast = 0.591, Connect. = 0.786 for dens.mod. cycle 5 = 0.300, Contrast = 0.594, Connect. = 0.787 for dens.mod. cycle 6 = 0.300, Contrast = 0.599, Connect. = 0.788 for dens.mod. cycle 7 = 0.300, Contrast = 0.601, Connect. = 0.789 for dens.mod. cycle 8 = 0.300, Contrast = 0.604, Connect. = 0.790 for dens.mod. cycle 9 = 0.300, Contrast = 0.605, Connect. = 0.790 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2336 peaks > 0.5 sigma used to seed fragment search Space for about 538 unique residues taking solvent into account 578 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 36.277 2.152 0.787 0.933 1.000 0.895 CB 1.510 B: 33 49.563 2.246 0.960 0.771 0.938 0.844 CB 1.671 C: 47 36.480 2.096 0.652 0.736 0.913 0.565 CB 1.377 D: 107 64.726 2.136 0.851 0.583 0.953 0.575 CB 1.541 E: 53 50.905 2.193 0.879 0.591 0.962 0.654 CB 1.634 53 residues pruned to eliminate duplicates F: 58 54.190 2.148 0.936 0.691 0.947 0.667 CB 1.530 57 residues pruned to eliminate duplicates G: 17 37.862 2.278 0.940 0.933 1.000 0.750 CB 1.495 17 residues pruned to eliminate duplicates H: 65 40.784 2.084 0.709 0.564 0.906 0.656 CB 1.485 65 residues pruned to eliminate duplicates I: 22 29.202 2.011 0.568 0.831 0.952 0.762 CB 1.594 22 residues pruned to eliminate duplicates J: 19 40.417 2.190 1.021 0.904 0.889 0.556 CB 1.725 19 residues pruned to eliminate duplicates K: 28 43.588 2.190 0.844 0.888 0.963 0.630 CB 1.555 20 residues pruned to eliminate duplicates L: 19 25.707 2.048 0.748 0.685 0.944 0.722 CB 1.513 19 residues pruned to eliminate duplicates M: 111 73.648 2.171 0.918 0.637 0.945 0.755 CB 1.569 108 residues pruned to eliminate duplicates N: 23 26.305 1.979 0.726 0.632 0.955 0.682 CB 1.519 23 residues pruned to eliminate duplicates O: 46 34.587 2.050 0.592 0.747 0.956 0.622 CB 1.325 P: 10 14.541 2.126 0.430 0.742 0.889 0.556 CB 1.444 Q: 11 11.569 2.128 0.168 0.781 0.800 0.600 CB 1.437 10 residues pruned to eliminate duplicates R: 19 21.371 2.178 0.823 0.463 0.944 0.667 CB 1.395 10 residues pruned to eliminate duplicates S: 16 33.554 2.338 0.532 0.917 1.000 0.867 CB 1.707 16 residues pruned to eliminate duplicates T: 17 33.356 2.288 0.560 0.934 1.000 0.938 CB 1.630 17 residues pruned to eliminate duplicates U: 25 22.103 1.881 0.718 0.607 0.917 0.542 CB 1.376 25 residues pruned to eliminate duplicates V: 134 77.424 2.159 0.880 0.678 0.925 0.669 CB 1.518 132 residues pruned to eliminate duplicates W: 29 38.587 2.134 0.689 0.861 0.929 0.679 CB 1.601 29 residues pruned to eliminate duplicates X: 25 38.016 2.235 0.650 0.889 1.000 0.875 CB 1.515 25 residues pruned to eliminate duplicates Y: 26 33.322 2.097 0.714 0.759 0.960 0.800 CB 1.534 Z: 49 50.125 2.145 0.943 0.707 0.917 0.688 CB 1.568 49 residues pruned to eliminate duplicates Z: 28 41.860 2.132 0.822 0.898 0.926 0.704 CB 1.602 27 residues pruned to eliminate duplicates Z: 60 53.391 2.139 0.912 0.675 0.966 0.763 CB 1.497 60 residues pruned to eliminate duplicates Z: 42 40.855 2.147 0.807 0.628 0.951 0.707 CB 1.533 18 residues pruned to eliminate duplicates Z: 28 38.295 2.192 0.654 0.834 0.963 0.741 CB 1.583 28 residues pruned to eliminate duplicates Z: 52 37.093 2.077 0.637 0.678 0.922 0.627 CB 1.407 52 residues pruned to eliminate duplicates Z: 38 34.249 2.051 0.663 0.825 0.919 0.676 CB 1.356 38 residues pruned to eliminate duplicates Z: 70 46.154 2.128 0.727 0.558 0.913 0.652 CB 1.566 70 residues pruned to eliminate duplicates Z: 24 32.126 2.066 0.766 0.694 0.957 0.739 CB 1.608 25 residues pruned to eliminate duplicates Z: 83 68.373 2.214 0.850 0.694 0.939 0.707 CB 1.644 60 residues pruned to eliminate duplicates Z: 19 34.451 2.187 0.872 0.901 0.944 0.722 CB 1.499 20 residues pruned to eliminate duplicates Z: 42 52.955 2.225 0.793 0.819 0.976 0.732 CB 1.610 42 residues pruned to eliminate duplicates Z: 49 51.399 2.254 0.853 0.679 0.896 0.667 CB 1.681 49 residues pruned to eliminate duplicates Z: 26 40.603 2.210 0.752 0.920 0.920 0.720 CB 1.605 26 residues pruned to eliminate duplicates Z: 26 42.891 2.234 0.779 0.897 0.960 0.520 CB 1.610 26 residues pruned to eliminate duplicates Z: 15 18.036 2.155 0.586 0.560 1.000 0.786 CB 1.331 15 residues pruned to eliminate duplicates Z: 41 58.208 2.247 0.935 0.782 0.975 0.775 CB 1.694 42 residues pruned to eliminate duplicates Z: 15 25.666 1.901 0.722 0.900 1.000 0.786 CB 1.497 13 residues pruned to eliminate duplicates Z: 27 50.830 2.242 0.830 0.897 1.000 0.615 CB 1.739 27 residues pruned to eliminate duplicates Z: 18 42.475 2.198 1.097 0.838 1.000 0.824 CB 1.670 20 residues pruned to eliminate duplicates Z: 17 28.880 2.099 0.768 0.927 0.938 0.812 CB 1.455 17 residues pruned to eliminate duplicates Z: 41 63.474 2.244 1.015 0.839 1.000 0.725 CB 1.658 41 residues pruned to eliminate duplicates Z: 42 53.610 2.197 0.824 0.787 1.000 0.805 CB 1.624 42 residues pruned to eliminate duplicates Z: 19 34.116 2.025 1.161 0.903 1.000 0.722 CB 1.310 19 residues pruned to eliminate duplicates Z: 17 32.608 2.098 1.117 0.936 1.000 0.875 CB 1.278 17 residues pruned to eliminate duplicates Z: 27 29.378 2.126 0.719 0.663 0.962 0.846 CB 1.410 27 residues pruned to eliminate duplicates Z: 49 40.836 2.152 0.693 0.646 0.917 0.667 CB 1.541 49 residues pruned to eliminate duplicates Z: 37 35.751 2.072 0.720 0.822 0.972 0.694 CB 1.301 37 residues pruned to eliminate duplicates Z: 12 25.342 2.029 0.832 0.875 1.000 0.636 CB 1.495 12 residues pruned to eliminate duplicates Z: 27 38.487 2.190 0.572 0.885 1.000 0.808 CB 1.583 27 residues pruned to eliminate duplicates Z: 42 38.089 2.148 0.837 0.631 0.927 0.732 CB 1.438 42 residues pruned to eliminate duplicates Z: 10 14.849 1.872 0.410 0.828 0.889 0.667 CA 1.589 11 residues pruned to eliminate duplicates Z: 13 23.396 1.968 0.703 0.890 1.000 0.833 CB 1.450 13 residues pruned to eliminate duplicates Z: 12 23.564 2.221 0.684 0.928 1.000 0.909 CB 1.330 12 residues pruned to eliminate duplicates Z: 84 71.343 2.175 0.962 0.712 0.952 0.723 CB 1.592 84 residues pruned to eliminate duplicates Z: 14 23.558 2.126 0.845 0.597 0.923 0.769 CB 1.645 14 residues pruned to eliminate duplicates Z: 24 19.193 1.797 0.622 0.616 0.957 0.652 CB 1.286 Z: 135 73.091 2.119 0.842 0.667 0.925 0.642 CB 1.497 135 residues pruned to eliminate duplicates Z: 85 68.681 2.176 0.858 0.689 0.964 0.690 CB 1.617 85 residues pruned to eliminate duplicates Z: 13 14.443 1.806 0.646 0.546 1.000 0.667 CB 1.341 13 residues pruned to eliminate duplicates Z: 48 57.933 2.248 0.949 0.697 0.957 0.681 CB 1.683 48 residues pruned to eliminate duplicates Z: 39 36.891 2.061 0.694 0.816 0.974 0.737 CB 1.338 38 residues pruned to eliminate duplicates Z: 53 58.486 2.227 0.916 0.745 0.942 0.769 CB 1.620 53 residues pruned to eliminate duplicates Z: 27 34.753 2.092 0.755 0.742 1.000 0.885 CB 1.494 27 residues pruned to eliminate duplicates Z: 25 32.945 2.125 0.666 0.744 1.000 0.833 CB 1.527 25 residues pruned to eliminate duplicates Z: 26 48.268 2.217 0.976 0.915 1.000 0.680 CB 1.558 26 residues pruned to eliminate duplicates Z: 14 23.460 2.190 1.019 0.548 1.000 0.769 CB 1.404 14 residues pruned to eliminate duplicates Z: 27 47.722 2.263 0.778 0.905 1.000 0.423 CB 1.655 27 residues pruned to eliminate duplicates Z: 57 44.004 2.109 0.764 0.603 0.946 0.732 CB 1.513 57 residues pruned to eliminate duplicates Z: 50 39.780 2.137 0.731 0.712 0.898 0.571 CB 1.411 50 residues pruned to eliminate duplicates Z: 27 46.203 2.184 0.904 0.882 1.000 0.654 CB 1.576 27 residues pruned to eliminate duplicates Z: 55 56.262 2.206 0.893 0.677 0.944 0.593 CB 1.650 54 residues pruned to eliminate duplicates Z: 25 37.086 2.202 0.576 0.871 0.917 0.583 CB 1.736 25 residues pruned to eliminate duplicates Z: 54 54.576 2.215 0.889 0.693 0.925 0.660 CB 1.625 54 residues pruned to eliminate duplicates Z: 14 16.990 2.144 0.852 0.498 0.846 0.692 CB 1.405 14 residues pruned to eliminate duplicates Z: 29 36.369 2.157 0.546 0.884 0.964 0.750 CB 1.544 29 residues pruned to eliminate duplicates Z: 26 28.820 2.111 0.600 0.819 0.920 0.640 CB 1.407 26 residues pruned to eliminate duplicates Z: 18 35.347 2.256 0.623 0.918 1.000 0.824 CB 1.652 17 residues pruned to eliminate duplicates Z: 15 18.897 1.927 0.550 0.927 1.000 1.000 CB 1.185 15 residues pruned to eliminate duplicates Z: 16 19.089 1.859 0.576 0.940 1.000 1.000 CB 1.168 16 residues pruned to eliminate duplicates Z: 29 39.143 2.141 0.683 0.870 0.964 0.536 CB 1.553 29 residues pruned to eliminate duplicates Z: 27 34.069 2.072 0.781 0.725 0.962 0.846 CB 1.537 27 residues pruned to eliminate duplicates Z: 19 32.086 2.174 0.509 0.935 1.000 1.000 CB 1.607 19 residues pruned to eliminate duplicates Z: 28 44.141 2.194 0.760 0.873 1.000 0.704 CB 1.603 28 residues pruned to eliminate duplicates Z: 49 33.034 2.043 0.614 0.688 0.896 0.625 CB 1.359 49 residues pruned to eliminate duplicates Z: 15 17.602 2.027 0.882 0.528 0.857 0.571 CA 1.399 15 residues pruned to eliminate duplicates Z: 29 37.755 2.158 0.817 0.834 0.893 0.643 CB 1.528 29 residues pruned to eliminate duplicates Z: 10 21.195 2.237 0.862 0.675 1.000 0.889 CB 1.444 10 residues pruned to eliminate duplicates Z: 26 43.529 2.217 0.850 0.918 0.920 0.760 CB 1.627 26 residues pruned to eliminate duplicates Z: 16 35.759 2.289 0.682 0.941 1.000 0.733 CB 1.663 16 residues pruned to eliminate duplicates Z: 26 41.984 2.204 0.731 0.918 0.960 0.640 CB 1.617 26 residues pruned to eliminate duplicates Z: 42 37.434 2.171 0.664 0.636 0.951 0.732 CB 1.497 42 residues pruned to eliminate duplicates Z: 94 68.319 2.167 0.911 0.679 0.935 0.720 CB 1.552 94 residues pruned to eliminate duplicates Z: 16 35.138 2.173 0.943 0.929 1.000 0.867 CB 1.504 16 residues pruned to eliminate duplicates Z: 28 44.882 2.206 0.785 0.894 0.963 0.852 CB 1.634 28 residues pruned to eliminate duplicates Z: 57 49.837 2.156 0.898 0.659 0.893 0.643 CB 1.573 57 residues pruned to eliminate duplicates Z: 43 45.169 2.186 0.957 0.619 0.929 0.667 CB 1.568 43 residues pruned to eliminate duplicates Z: 28 35.196 2.133 0.879 0.722 0.926 0.778 CB 1.493 28 residues pruned to eliminate duplicates Z: 11 12.575 2.094 0.258 0.758 0.900 0.600 CB 1.333 11 residues pruned to eliminate duplicates Z: 82 64.409 2.161 0.908 0.668 0.938 0.654 CB 1.583 82 residues pruned to eliminate duplicates Z: 18 35.662 2.178 0.957 0.884 1.000 0.529 CB 1.465 18 residues pruned to eliminate duplicates Z: 11 28.239 2.056 1.018 0.875 1.000 0.700 CB 1.565 11 residues pruned to eliminate duplicates Z: 28 41.017 2.206 0.703 0.855 0.963 0.667 CB 1.611 28 residues pruned to eliminate duplicates Z: 26 44.169 2.158 1.014 0.873 1.000 0.600 CB 1.480 26 residues pruned to eliminate duplicates Z: 58 38.269 2.097 0.772 0.610 0.912 0.632 CB 1.346 30 residues pruned to eliminate duplicates Z: 53 65.276 2.246 1.009 0.743 0.962 0.712 CB 1.679 53 residues pruned to eliminate duplicates Z: 58 53.075 2.142 0.983 0.689 0.930 0.772 CB 1.498 58 residues pruned to eliminate duplicates Z: 10 12.086 1.980 0.406 0.725 0.889 0.667 CB 1.329 11 residues pruned to eliminate duplicates Z: 28 32.093 2.013 0.690 0.729 1.000 0.741 CB 1.477 28 residues pruned to eliminate duplicates Z: 27 36.275 2.063 0.819 0.771 1.000 0.846 CB 1.491 28 residues pruned to eliminate duplicates Z: 41 38.424 2.157 0.780 0.598 0.950 0.675 CB 1.517 41 residues pruned to eliminate duplicates Z: 25 28.720 1.962 0.872 0.926 0.958 0.500 CB 1.168 25 residues pruned to eliminate duplicates Z: 42 37.147 2.129 0.792 0.637 0.951 0.634 CB 1.405 42 residues pruned to eliminate duplicates Z: 17 35.501 2.202 1.025 0.937 0.875 0.688 CB 1.583 17 residues pruned to eliminate duplicates Z: 27 42.166 2.253 0.646 0.909 0.962 0.654 CB 1.647 27 residues pruned to eliminate duplicates Z: 26 49.557 2.240 0.961 0.907 1.000 0.680 CB 1.603 26 residues pruned to eliminate duplicates Z: 32 18.173 1.951 0.596 0.410 0.903 0.581 CB 1.276 32 residues pruned to eliminate duplicates Z: 11 13.014 2.099 0.221 0.807 0.900 0.700 CB 1.366 10 residues pruned to eliminate duplicates Z: 70 49.494 2.098 0.851 0.648 0.957 0.681 CB 1.397 70 residues pruned to eliminate duplicates Z: 17 32.607 2.080 0.859 0.926 1.000 0.812 CB 1.479 17 residues pruned to eliminate duplicates Z: 28 43.545 2.190 0.729 0.868 1.000 0.815 CB 1.618 28 residues pruned to eliminate duplicates Z: 26 43.538 2.202 0.733 0.933 1.000 0.880 CB 1.593 26 residues pruned to eliminate duplicates Z: 54 40.160 2.110 0.774 0.582 0.906 0.679 CB 1.504 54 residues pruned to eliminate duplicates Z: 12 17.011 1.976 0.794 0.650 0.909 0.727 CB 1.385 12 residues pruned to eliminate duplicates Z: 12 14.525 1.991 0.496 0.762 0.818 0.545 CB 1.424 10 residues pruned to eliminate duplicates Z: 10 7.391 1.613 0.868 0.390 0.778 0.556 CA 1.181 Z: 9 9.580 1.950 0.701 0.343 0.875 0.750 CA 1.383 9 residues pruned to eliminate duplicates Z: 35 30.673 2.085 0.592 0.718 0.912 0.794 CB 1.428 35 residues pruned to eliminate duplicates Z: 30 41.569 2.199 0.926 0.622 0.931 0.828 CB 1.744 30 residues pruned to eliminate duplicates Z: 26 27.251 2.045 0.579 0.890 0.960 0.760 CB 1.265 26 residues pruned to eliminate duplicates Z: 29 41.690 2.154 0.719 0.872 0.964 0.786 CB 1.608 29 residues pruned to eliminate duplicates Z: 16 21.153 1.769 0.672 0.902 1.000 0.933 CB 1.317 16 residues pruned to eliminate duplicates Z: 17 32.098 2.155 0.889 0.916 0.938 0.812 CB 1.485 17 residues pruned to eliminate duplicates Z: 17 43.361 2.232 1.118 0.920 1.000 0.688 CB 1.615 17 residues pruned to eliminate duplicates Z: 52 38.677 2.062 0.664 0.699 0.922 0.608 CB 1.429 52 residues pruned to eliminate duplicates Z: 15 26.228 1.966 0.720 0.932 1.000 0.857 CB 1.448 15 residues pruned to eliminate duplicates Z: 28 26.979 1.949 0.610 0.876 0.926 0.778 CB 1.299 28 residues pruned to eliminate duplicates Z: 27 40.864 2.180 0.794 0.864 0.962 0.885 CB 1.562 27 residues pruned to eliminate duplicates Z: 16 25.785 1.899 1.016 0.910 1.000 0.800 CB 1.233 16 residues pruned to eliminate duplicates Z: 16 11.732 1.942 0.695 0.349 0.800 0.600 CB 1.355 16 residues pruned to eliminate duplicates Z: 14 17.204 2.214 0.861 0.460 0.846 0.615 CB 1.425 14 residues pruned to eliminate duplicates Z: 28 39.668 2.202 0.672 0.878 0.963 0.481 CB 1.563 28 residues pruned to eliminate duplicates Z: 15 19.017 1.905 0.521 0.890 1.000 0.786 CB 1.262 15 residues pruned to eliminate duplicates Z: 79 49.052 2.084 0.775 0.690 0.936 0.718 CB 1.349 79 residues pruned to eliminate duplicates Z: 65 56.318 2.185 0.871 0.661 0.953 0.641 CB 1.555 65 residues pruned to eliminate duplicates Z: 28 44.005 2.267 0.882 0.721 0.963 0.815 CB 1.688 28 residues pruned to eliminate duplicates Z: 66 56.916 2.161 0.867 0.742 0.954 0.738 CB 1.477 66 residues pruned to eliminate duplicates Z: 28 22.989 1.918 0.605 0.866 0.852 0.630 CB 1.236 28 residues pruned to eliminate duplicates Z: 14 21.716 1.935 0.547 0.919 1.000 0.923 CB 1.417 14 residues pruned to eliminate duplicates Z: 22 19.047 1.945 0.849 0.441 0.905 0.571 CB 1.357 22 residues pruned to eliminate duplicates Z: 18 30.663 2.011 0.913 0.906 1.000 0.824 CB 1.375 18 residues pruned to eliminate duplicates Z: 29 36.908 2.138 0.662 0.862 0.964 0.607 CB 1.495 29 residues pruned to eliminate duplicates Z: 41 51.801 2.188 0.920 0.771 0.950 0.675 CB 1.615 41 residues pruned to eliminate duplicates Z: 42 34.185 2.088 0.755 0.602 0.878 0.634 CB 1.505 42 residues pruned to eliminate duplicates Z: 28 33.042 2.098 0.831 0.777 0.963 0.852 CB 1.346 28 residues pruned to eliminate duplicates Z: 18 25.381 2.132 0.452 0.926 0.941 0.588 CB 1.481 18 residues pruned to eliminate duplicates Z: 11 19.546 1.980 0.611 0.794 1.000 0.800 CB 1.497 11 residues pruned to eliminate duplicates Z: 25 16.738 2.008 0.581 0.548 0.875 0.708 CB 1.174 15 residues pruned to eliminate duplicates Z: 15 25.425 1.880 0.862 0.933 1.000 0.929 CB 1.354 15 residues pruned to eliminate duplicates Z: 16 20.600 1.922 0.697 0.895 1.000 0.667 CB 1.169 16 residues pruned to eliminate duplicates Z: 20 30.296 2.080 0.810 0.900 0.895 0.526 CB 1.474 20 residues pruned to eliminate duplicates Z: 67 47.132 2.116 0.897 0.605 0.939 0.667 CB 1.393 67 residues pruned to eliminate duplicates Z: 15 14.071 1.854 0.743 0.427 0.929 0.714 CB 1.352 15 residues pruned to eliminate duplicates Z: 28 36.242 2.085 0.804 0.835 0.963 0.593 CB 1.442 28 residues pruned to eliminate duplicates Z: 18 29.859 2.075 0.927 0.841 1.000 0.588 CB 1.350 18 residues pruned to eliminate duplicates Z: 27 30.583 2.094 0.924 0.558 0.923 0.654 CB 1.525 27 residues pruned to eliminate duplicates Z: 13 9.640 1.988 0.629 0.424 0.667 0.583 CA 1.395 13 residues pruned to eliminate duplicates Z: 11 15.975 1.784 0.595 0.819 1.000 0.700 CB 1.346 Z: 11 13.319 2.100 0.215 0.757 1.000 0.400 CB 1.314 11 residues pruned to eliminate duplicates Z: 26 25.451 2.058 0.498 0.870 0.960 0.600 CB 1.256 26 residues pruned to eliminate duplicates Z: 26 48.381 2.325 0.730 0.906 1.000 0.680 CB 1.712 26 residues pruned to eliminate duplicates Z: 15 20.901 1.854 0.539 0.888 1.000 0.929 CB 1.411 15 residues pruned to eliminate duplicates Z: 15 27.011 1.961 0.764 0.922 1.000 0.714 CB 1.468 15 residues pruned to eliminate duplicates Z: 17 17.569 1.980 0.815 0.454 0.875 0.562 CB 1.464 17 residues pruned to eliminate duplicates Z: 14 5.435 1.574 0.638 0.298 0.769 0.308 CB 0.953 14 residues pruned to eliminate duplicates Z: 27 37.402 2.188 0.649 0.895 0.962 0.692 CB 1.516 27 residues pruned to eliminate duplicates Z: 26 26.505 2.043 0.538 0.897 0.960 0.760 CB 1.258 37 residues pruned to eliminate duplicates Z: 11 15.374 2.019 0.931 0.450 0.900 0.600 CB 1.459 11 residues pruned to eliminate duplicates Z: 26 41.271 2.229 0.653 0.912 1.000 0.800 CB 1.586 26 residues pruned to eliminate duplicates Z: 12 15.775 1.948 0.381 0.805 1.000 0.727 CB 1.355 12 residues pruned to eliminate duplicates Z: 24 27.613 2.064 0.608 0.882 1.000 0.783 CB 1.256 24 residues pruned to eliminate duplicates Z: 13 19.083 1.884 0.590 0.812 0.917 0.750 CB 1.528 13 residues pruned to eliminate duplicates Z: 38 27.140 1.867 0.865 0.502 0.892 0.568 CB 1.434 62 residues pruned to eliminate duplicates Z: 51 40.923 2.098 0.706 0.714 0.960 0.640 CB 1.388 51 residues pruned to eliminate duplicates Z: 17 17.661 2.182 0.609 0.425 0.875 0.500 CB 1.555 17 residues pruned to eliminate duplicates Z: 14 30.053 2.134 0.896 0.735 1.000 0.846 CA 1.668 14 residues pruned to eliminate duplicates Z: 11 14.864 2.136 0.243 0.770 1.000 0.800 CB 1.394 11 residues pruned to eliminate duplicates Z: 18 35.066 2.196 0.654 0.922 1.000 1.000 CB 1.647 18 residues pruned to eliminate duplicates Z: 39 33.536 2.120 0.562 0.807 0.947 0.711 CB 1.326 39 residues pruned to eliminate duplicates Z: 17 44.430 2.307 1.111 0.910 0.875 0.688 CB 1.848 17 residues pruned to eliminate duplicates Z: 27 40.589 2.171 0.878 0.852 0.962 0.692 CB 1.502 27 residues pruned to eliminate duplicates Z: 11 14.158 1.993 0.872 0.406 0.900 0.500 CB 1.471 Z: 40 49.708 2.249 0.848 0.788 0.949 0.718 CB 1.567 40 residues pruned to eliminate duplicates Z: 26 29.668 2.008 0.698 0.905 0.920 0.800 CB 1.346 26 residues pruned to eliminate duplicates Z: 71 50.706 2.121 0.838 0.578 0.943 0.614 CB 1.530 71 residues pruned to eliminate duplicates Z: 11 17.954 2.164 0.424 0.764 1.000 0.900 CB 1.459 11 residues pruned to eliminate duplicates Z: 43 55.598 2.215 0.958 0.801 0.952 0.810 CB 1.596 43 residues pruned to eliminate duplicates Z: 20 32.672 2.146 0.620 0.889 1.000 0.842 CB 1.552 20 residues pruned to eliminate duplicates Z: 55 49.716 2.152 0.866 0.694 0.907 0.500 CB 1.554 55 residues pruned to eliminate duplicates Z: 28 40.307 2.217 0.737 0.850 0.926 0.370 CB 1.611 28 residues pruned to eliminate duplicates Z: 27 26.764 1.984 0.615 0.844 0.962 0.731 CB 1.268 27 residues pruned to eliminate duplicates Z: 19 32.880 2.220 0.668 0.894 0.889 0.556 CB 1.688 19 residues pruned to eliminate duplicates Z: 6 7.029 1.816 -0.032 0.866 1.000 1.000 CB 1.309 Z: 26 28.983 2.052 0.659 0.875 1.000 0.640 CB 1.239 26 residues pruned to eliminate duplicates Z: 25 25.564 2.047 0.735 0.891 0.875 0.625 CB 1.207 25 residues pruned to eliminate duplicates Z: 17 28.524 2.047 0.784 0.888 0.938 0.875 CB 1.500 17 residues pruned to eliminate duplicates Z: 24 26.983 2.153 0.867 0.569 0.826 0.565 CA 1.586 24 residues pruned to eliminate duplicates Z: 26 49.892 2.302 0.819 0.899 1.000 0.880 CB 1.704 26 residues pruned to eliminate duplicates Z: 18 29.890 2.141 0.575 0.905 1.000 0.941 CB 1.530 18 residues pruned to eliminate duplicates Z: 31 30.047 2.083 0.598 0.739 0.967 0.700 CB 1.376 31 residues pruned to eliminate duplicates Z: 80 50.114 2.110 0.705 0.686 0.937 0.759 CB 1.410 80 residues pruned to eliminate duplicates Z: 18 25.305 1.964 0.899 0.879 0.941 0.588 CB 1.267 18 residues pruned to eliminate duplicates Z: 9 8.005 1.950 0.770 0.379 0.875 0.625 CB 1.066 9 residues pruned to eliminate duplicates Z: 7 5.756 1.719 0.812 0.491 0.833 0.667 CB 0.913 Z: 37 36.229 2.185 0.673 0.651 0.944 0.694 CB 1.520 37 residues pruned to eliminate duplicates Z: 59 51.833 2.139 0.833 0.692 0.983 0.741 CB 1.481 59 residues pruned to eliminate duplicates Z: 17 37.640 2.273 0.909 0.922 0.938 0.750 CB 1.627 17 residues pruned to eliminate duplicates Z: 25 30.131 2.045 0.761 0.887 1.000 0.583 CB 1.231 25 residues pruned to eliminate duplicates Z: 16 19.656 1.871 0.851 0.874 0.867 0.400 CB 1.231 16 residues pruned to eliminate duplicates Z: 29 38.727 2.127 0.651 0.838 1.000 0.750 CB 1.557 29 residues pruned to eliminate duplicates Z: 15 23.317 1.894 0.579 0.902 1.000 0.857 CB 1.486 15 residues pruned to eliminate duplicates Z: 54 42.276 2.136 0.703 0.591 0.925 0.642 CB 1.583 54 residues pruned to eliminate duplicates Z: 51 39.593 2.123 0.539 0.620 0.980 0.740 CB 1.561 51 residues pruned to eliminate duplicates Z: 16 20.228 1.894 0.704 0.923 1.000 0.800 CB 1.137 16 residues pruned to eliminate duplicates Z: 81 58.814 2.170 0.781 0.642 0.938 0.700 CB 1.589 81 residues pruned to eliminate duplicates Z: 23 15.983 1.804 0.723 0.508 0.955 0.591 CB 1.139 23 residues pruned to eliminate duplicates Z: 28 28.193 1.932 0.701 0.918 0.963 0.741 CB 1.209 28 residues pruned to eliminate duplicates Z: 51 40.201 2.111 0.699 0.691 0.940 0.620 CB 1.417 51 residues pruned to eliminate duplicates Z: 27 45.394 2.251 0.787 0.900 0.962 0.731 CB 1.644 27 residues pruned to eliminate duplicates Z: 23 25.202 2.024 0.580 0.684 0.955 0.818 CB 1.487 23 residues pruned to eliminate duplicates Z: 7 16.154 1.930 0.865 0.783 1.000 0.833 CB 1.428 7 residues pruned to eliminate duplicates Z: 42 36.021 2.026 0.710 0.764 0.951 0.659 CB 1.351 42 residues pruned to eliminate duplicates Z: 45 33.302 2.094 0.821 0.525 0.841 0.545 CB 1.527 45 residues pruned to eliminate duplicates Z: 17 36.012 2.150 1.231 0.937 0.938 0.625 CB 1.393 17 residues pruned to eliminate duplicates Z: 27 25.227 2.056 0.737 0.559 0.923 0.654 CB 1.417 28 residues pruned to eliminate duplicates Z: 25 25.158 2.040 0.721 0.845 0.875 0.667 CB 1.243 25 residues pruned to eliminate duplicates Z: 6 3.182 1.736 -0.304 0.657 1.000 0.600 CB 1.018 Z: 13 20.086 1.938 0.984 0.526 0.917 0.750 CB 1.605 11 residues pruned to eliminate duplicates Z: 8 9.628 1.840 0.254 0.521 1.000 0.429 O 1.545 Z: 11 13.489 1.747 0.472 0.818 0.900 0.700 CB 1.399 11 residues pruned to eliminate duplicates Z: 28 25.777 1.926 0.567 0.916 0.926 0.667 CB 1.254 28 residues pruned to eliminate duplicates Z: 9 3.800 1.630 0.155 0.286 0.750 0.500 CA 1.210 Z: 84 71.838 2.210 0.854 0.714 0.976 0.675 CB 1.624 84 residues pruned to eliminate duplicates Z: 26 27.181 2.019 0.628 0.885 0.960 0.640 CB 1.244 26 residues pruned to eliminate duplicates Z: 20 21.240 2.000 0.495 0.864 0.947 0.684 CB 1.261 20 residues pruned to eliminate duplicates Z: 6 2.156 1.529 0.802 0.395 0.400 0.400 N 0.977 6 residues pruned to eliminate duplicates Z: 29 33.834 2.095 0.825 0.762 0.964 0.857 CB 1.374 29 residues pruned to eliminate duplicates Z: 6 5.541 1.821 -0.122 0.768 1.000 0.800 CB 1.222 6 residues pruned to eliminate duplicates Z: 14 9.259 1.662 0.287 0.666 0.769 0.615 CB 1.340 Z: 33 31.287 2.017 0.744 0.777 0.938 0.781 CB 1.314 33 residues pruned to eliminate duplicates Z: 27 28.521 1.977 0.710 0.835 0.923 0.500 CB 1.342 28 residues pruned to eliminate duplicates Z: 27 26.294 1.966 0.688 0.882 0.885 0.500 CB 1.270 27 residues pruned to eliminate duplicates Z: 27 25.206 1.994 0.508 0.893 0.923 0.769 CB 1.279 27 residues pruned to eliminate duplicates Z: 16 17.057 1.907 0.646 0.560 0.933 0.667 CB 1.418 13 residues pruned to eliminate duplicates Z: 123 72.147 2.185 0.823 0.619 0.943 0.705 CB 1.556 214 residues pruned to eliminate duplicates Z: 9 10.625 1.951 0.465 0.410 0.875 0.750 CB 1.651 9 residues pruned to eliminate duplicates Z: 17 35.937 2.071 0.910 0.938 1.000 1.000 CB 1.579 17 residues pruned to eliminate duplicates Z: 25 29.800 2.021 0.597 0.905 1.000 0.875 CB 1.342 25 residues pruned to eliminate duplicates Z: 24 19.158 2.002 0.492 0.536 0.913 0.609 CB 1.414 33 residues pruned to eliminate duplicates Z: 15 19.835 1.927 0.692 0.892 1.000 0.929 CB 1.168 15 residues pruned to eliminate duplicates Z: 15 22.694 1.953 0.771 0.941 1.000 1.000 CB 1.217 15 residues pruned to eliminate duplicates Z: 15 23.123 1.913 0.627 0.918 1.000 1.000 CB 1.400 15 residues pruned to eliminate duplicates Z: 8 11.207 1.977 0.975 0.704 1.000 0.857 CB 0.901 Z: 26 25.631 2.013 0.560 0.873 0.960 0.720 CB 1.238 26 residues pruned to eliminate duplicates Z: 27 22.971 1.935 0.546 0.827 0.923 0.731 CB 1.229 27 residues pruned to eliminate duplicates Z: 28 42.872 2.216 0.665 0.871 1.000 0.778 CB 1.631 28 residues pruned to eliminate duplicates Z: 15 43.484 2.202 1.297 0.933 1.000 0.714 CB 1.603 15 residues pruned to eliminate duplicates Z: 25 20.087 1.925 0.584 0.846 0.917 0.625 CB 1.090 25 residues pruned to eliminate duplicates Z: 9 14.126 1.973 0.290 0.908 1.000 1.000 CB 1.393 Z: 13 13.042 1.780 0.901 0.684 1.000 0.750 CB 0.940 Z: 15 25.171 1.943 0.715 0.932 1.000 0.857 CB 1.410 15 residues pruned to eliminate duplicates Z: 49 42.977 2.131 0.856 0.599 0.979 0.646 CB 1.458 50 residues pruned to eliminate duplicates Z: 26 24.758 1.974 0.481 0.880 0.960 0.640 CB 1.278 26 residues pruned to eliminate duplicates Z: 26 21.578 1.986 0.528 0.904 0.880 0.520 CB 1.151 9 residues pruned to eliminate duplicates Z: 14 4.690 1.642 0.096 0.282 0.846 0.462 CB 1.092 Z: 15 22.644 1.935 0.777 0.922 1.000 0.714 CB 1.237 15 residues pruned to eliminate duplicates Z: 15 23.096 1.905 0.812 0.917 1.000 0.714 CB 1.262 15 residues pruned to eliminate duplicates Z: 32 34.848 2.057 0.868 0.759 0.968 0.774 CB 1.336 26 residues pruned to eliminate duplicates Z: 9 10.123 1.895 0.567 0.729 0.875 0.750 CB 1.121 10 residues pruned to eliminate duplicates Z: 8 9.679 1.865 0.268 0.902 1.000 1.000 CB 1.103 8 residues pruned to eliminate duplicates Z: 26 44.951 2.215 0.729 0.928 1.000 0.840 CB 1.645 26 residues pruned to eliminate duplicates Z: 13 20.289 1.840 0.572 0.786 1.000 0.750 CB 1.575 13 residues pruned to eliminate duplicates Z: 14 14.742 1.805 0.907 0.414 0.923 0.615 CB 1.407 14 residues pruned to eliminate duplicates Z: 13 14.745 1.905 0.763 0.509 1.000 0.583 CB 1.256 13 residues pruned to eliminate duplicates Z: 11 14.025 1.811 0.341 0.827 1.000 0.600 CB 1.377 Z: 41 38.109 2.165 0.770 0.625 0.950 0.775 CB 1.472 41 residues pruned to eliminate duplicates Z: 11 35.165 2.332 1.190 0.830 1.000 0.900 CB 1.638 11 residues pruned to eliminate duplicates Z: 41 32.492 2.030 0.782 0.761 0.900 0.650 CB 1.251 45 residues pruned to eliminate duplicates Z: 18 30.753 1.998 0.988 0.899 1.000 0.824 CB 1.343 18 residues pruned to eliminate duplicates Z: 11 13.832 1.862 0.762 0.650 1.000 0.700 N 1.159 Z: 24 24.923 2.009 0.540 0.888 1.000 0.652 CB 1.210 24 residues pruned to eliminate duplicates Z: 49 36.372 2.021 0.767 0.563 0.896 0.729 CA 1.544 49 residues pruned to eliminate duplicates Z: 9 13.304 1.945 1.066 0.519 0.875 0.875 CB 1.313 Z: 26 22.648 2.014 0.429 0.866 0.960 0.640 CB 1.200 26 residues pruned to eliminate duplicates Z: 14 26.255 1.957 0.707 0.941 1.000 0.923 CB 1.512 14 residues pruned to eliminate duplicates Z: 81 70.149 2.248 0.856 0.708 0.938 0.675 CB 1.660 82 residues pruned to eliminate duplicates Z: 15 21.641 1.885 0.546 0.896 1.000 0.714 CB 1.422 15 residues pruned to eliminate duplicates Z: 79 50.969 2.106 0.794 0.669 0.962 0.692 CB 1.359 118 residues pruned to eliminate duplicates Z: 31 32.772 2.055 0.884 0.782 0.933 0.800 CB 1.292 Z: 17 15.491 1.901 0.700 0.457 0.875 0.625 CA 1.431 17 residues pruned to eliminate duplicates Z: 7 6.114 1.731 -0.193 0.834 1.000 0.833 CB 1.340 Z: 15 13.082 1.898 0.493 0.529 0.857 0.714 CB 1.398 15 residues pruned to eliminate duplicates Z: 9 13.884 1.993 0.444 0.888 0.875 0.875 CB 1.404 Z: 9 4.728 1.794 0.582 0.412 0.625 0.500 CB 1.033 Z: 26 19.778 1.916 0.567 0.804 0.800 0.640 CB 1.263 27 residues pruned to eliminate duplicates Z: 10 9.990 1.953 0.445 0.782 0.778 0.556 CB 1.184 10 residues pruned to eliminate duplicates Z: 26 24.374 2.013 0.500 0.889 0.920 0.640 CB 1.263 25 residues pruned to eliminate duplicates Z: 18 18.130 1.936 0.360 0.894 0.941 0.824 CB 1.274 18 residues pruned to eliminate duplicates Z: 54 40.960 2.076 0.866 0.581 0.906 0.547 CB 1.484 60 residues pruned to eliminate duplicates Z: 14 9.947 1.883 0.487 0.446 0.846 0.692 CB 1.231 13 residues pruned to eliminate duplicates Z: 25 24.071 2.035 0.585 0.871 0.917 0.667 CB 1.212 25 residues pruned to eliminate duplicates Z: 8 3.737 1.755 -0.140 0.492 0.857 0.571 CB 1.100 Z: 15 22.019 2.094 0.917 0.634 0.857 0.786 CB 1.508 15 residues pruned to eliminate duplicates Z: 13 13.016 2.075 0.583 0.470 0.917 0.667 CB 1.286 13 residues pruned to eliminate duplicates Z: 67 45.882 2.145 0.733 0.600 0.955 0.667 CB 1.447 67 residues pruned to eliminate duplicates Z: 9 7.510 1.619 0.191 0.716 0.875 0.750 CB 1.293 9 residues pruned to eliminate duplicates Z: 26 29.709 2.039 0.745 0.898 0.920 0.560 CB 1.299 26 residues pruned to eliminate duplicates Z: 26 20.034 2.010 0.318 0.887 0.880 0.680 CB 1.239 26 residues pruned to eliminate duplicates Z: 27 38.359 2.186 0.634 0.906 1.000 0.846 CB 1.499 27 residues pruned to eliminate duplicates Z: 23 23.484 1.961 0.975 0.475 0.909 0.545 CB 1.459 23 residues pruned to eliminate duplicates Z: 32 16.535 1.788 0.693 0.519 0.839 0.452 CB 1.148 32 residues pruned to eliminate duplicates Z: 12 14.343 1.740 1.091 0.625 0.818 0.636 CB 1.291 12 residues pruned to eliminate duplicates Z: 45 48.514 2.124 0.872 0.787 0.909 0.682 CB 1.573 45 residues pruned to eliminate duplicates Z: 42 38.553 2.145 0.793 0.645 0.951 0.683 CB 1.437 42 residues pruned to eliminate duplicates Z: 9 5.007 1.813 -0.004 0.420 0.875 0.625 CB 1.217 9 residues pruned to eliminate duplicates Z: 35 48.982 2.221 0.973 0.760 0.971 0.794 CB 1.567 30 residues pruned to eliminate duplicates Z: 27 35.724 2.211 0.790 0.857 0.846 0.538 CB 1.542 27 residues pruned to eliminate duplicates Z: 9 11.902 2.103 0.188 0.723 1.000 0.625 CB 1.377 9 residues pruned to eliminate duplicates Z: 55 55.680 2.160 0.963 0.638 0.981 0.611 CB 1.599 55 residues pruned to eliminate duplicates Z: 54 48.177 2.096 0.969 0.613 0.943 0.736 CB 1.527 54 residues pruned to eliminate duplicates Z: 28 30.011 2.114 0.773 0.704 0.926 0.852 CB 1.382 28 residues pruned to eliminate duplicates Z: 41 26.807 1.955 0.812 0.658 0.925 0.725 CB 1.117 41 residues pruned to eliminate duplicates Z: 27 38.446 2.087 0.906 0.889 0.923 0.846 CB 1.478 27 residues pruned to eliminate duplicates Z: 24 32.088 2.205 0.786 0.610 0.913 0.565 CB 1.677 24 residues pruned to eliminate duplicates Z: 12 21.387 2.080 0.793 0.743 0.909 0.727 CB 1.531 12 residues pruned to eliminate duplicates Z: 16 21.073 2.066 0.777 0.529 0.933 0.600 CA 1.544 16 residues pruned to eliminate duplicates Z: 24 34.582 2.220 0.909 0.681 0.913 0.696 CB 1.579 40 residues pruned to eliminate duplicates Z: 13 20.415 2.103 0.636 0.799 0.917 0.833 CB 1.439 13 residues pruned to eliminate duplicates Z: 15 25.718 1.967 0.680 0.931 1.000 0.929 CB 1.454 Z: 26 42.263 2.236 0.727 0.908 0.960 0.800 CB 1.619 26 residues pruned to eliminate duplicates Z: 6 14.824 1.886 1.162 0.813 1.000 1.000 N 1.238 Z: 14 14.906 1.874 0.142 0.920 1.000 1.000 CB 1.361 14 residues pruned to eliminate duplicates Z: 14 12.842 1.853 0.782 0.450 0.846 0.538 CB 1.341 14 residues pruned to eliminate duplicates Z: 10 5.298 1.717 -0.048 0.466 1.000 0.444 CB 1.119 8 residues pruned to eliminate duplicates Z: 26 24.194 2.027 0.461 0.853 0.960 0.800 CB 1.258 26 residues pruned to eliminate duplicates Z: 26 28.986 2.039 0.639 0.904 0.960 0.640 CB 1.287 26 residues pruned to eliminate duplicates Z: 27 21.312 1.986 0.426 0.874 0.846 0.692 CB 1.269 27 residues pruned to eliminate duplicates Z: 26 35.699 2.187 0.633 0.872 0.960 0.680 CB 1.517 26 residues pruned to eliminate duplicates Z: 7 7.491 1.795 0.394 0.733 0.833 0.833 CA 1.189 Z: 56 54.139 2.158 0.881 0.751 0.964 0.636 CB 1.492 56 residues pruned to eliminate duplicates Z: 13 15.507 1.912 0.422 0.844 0.917 0.750 CA 1.336 13 residues pruned to eliminate duplicates Z: 11 13.563 2.076 0.314 0.788 0.900 0.700 CB 1.357 11 residues pruned to eliminate duplicates Z: 28 34.721 2.022 0.788 0.764 1.000 0.926 CB 1.462 42 residues pruned to eliminate duplicates Z: 8 17.409 1.941 0.821 0.679 1.000 1.000 CB 1.579 8 residues pruned to eliminate duplicates Z: 11 12.901 1.904 0.679 0.810 0.900 0.700 CB 1.083 11 residues pruned to eliminate duplicates Z: 10 16.484 2.140 0.517 0.742 1.000 0.556 CB 1.363 10 residues pruned to eliminate duplicates Z: 7 3.633 1.555 0.046 0.616 0.833 0.833 CB 0.980 Z: 24 25.069 1.969 0.707 0.601 1.000 0.783 CB 1.412 24 residues pruned to eliminate duplicates Z: 27 40.523 2.128 0.841 0.892 1.000 0.769 CB 1.457 27 residues pruned to eliminate duplicates Z: 38 38.933 2.172 0.873 0.674 0.892 0.568 CB 1.502 38 residues pruned to eliminate duplicates Z: 62 33.880 2.007 0.599 0.640 0.918 0.639 CB 1.292 62 residues pruned to eliminate duplicates Z: 8 8.525 1.915 0.493 0.703 0.857 0.714 CB 1.093 8 residues pruned to eliminate duplicates Z: 8 16.607 2.178 0.351 0.905 0.857 0.429 CB 1.771 8 residues pruned to eliminate duplicates Z: 9 2.937 1.719 0.140 0.251 0.750 0.500 CB 0.941 9 residues pruned to eliminate duplicates Z: 8 7.119 1.781 -0.158 0.877 1.000 1.000 CB 1.304 6 residues pruned to eliminate duplicates 6 1.921 1.170 0.062 0.756 0.800 0.400 CB 0.688 ? Z: 41 51.748 2.209 0.960 0.672 0.975 0.775 CB 1.654 41 residues pruned to eliminate duplicates Z: 17 16.866 1.874 0.440 0.850 1.000 0.688 CB 1.157 17 residues pruned to eliminate duplicates Z: 8 5.216 1.749 0.280 0.297 0.857 0.714 CB 1.290 Z: 30 28.671 1.951 0.672 0.674 0.931 0.690 CB 1.493 30 residues pruned to eliminate duplicates Z: 11 18.383 1.815 0.701 0.864 1.000 0.800 CA 1.380 10 residues pruned to eliminate duplicates Z: 13 9.402 1.712 0.369 0.658 0.833 0.333 CB 1.200 13 residues pruned to eliminate duplicates Z: 6 6.959 1.779 0.058 0.603 1.000 0.400 C 1.499 Z: 8 11.955 2.090 0.146 0.825 1.000 0.857 CB 1.423 8 residues pruned to eliminate duplicates Z: 9 19.963 2.016 0.753 0.765 1.000 0.625 CB 1.578 9 residues pruned to eliminate duplicates Z: 16 24.635 1.890 1.035 0.918 1.000 0.733 CB 1.166 16 residues pruned to eliminate duplicates Z: 50 55.453 2.200 0.956 0.741 0.959 0.755 CB 1.546 50 residues pruned to eliminate duplicates Z: 13 25.773 2.194 1.135 0.731 0.917 0.833 CB 1.408 13 residues pruned to eliminate duplicates Z: 25 26.975 2.112 0.662 0.578 1.000 0.583 CB 1.456 25 residues pruned to eliminate duplicates Z: 21 18.870 1.971 0.499 0.825 0.900 0.550 CB 1.198 21 residues pruned to eliminate duplicates Z: 16 13.863 1.843 0.534 0.574 0.933 0.667 CB 1.263 16 residues pruned to eliminate duplicates Z: 6 8.331 1.764 0.275 0.889 1.000 1.000 CA 1.193 6 residues pruned to eliminate duplicates Z: 52 32.906 2.061 0.629 0.675 0.863 0.647 CB 1.354 52 residues pruned to eliminate duplicates Z: 11 3.028 1.705 -0.227 0.413 0.900 0.400 CB 0.885 8 residues pruned to eliminate duplicates Z: 15 18.702 1.935 0.702 0.471 1.000 0.714 CB 1.563 15 residues pruned to eliminate duplicates Z: 21 24.455 1.912 0.694 0.822 0.950 0.600 CB 1.345 21 residues pruned to eliminate duplicates Z: 28 33.979 2.051 0.823 0.859 0.926 0.741 CB 1.390 28 residues pruned to eliminate duplicates Z: 16 20.923 1.859 0.977 0.875 0.933 0.600 CB 1.145 16 residues pruned to eliminate duplicates Z: 17 13.970 1.924 0.501 0.489 0.938 0.625 CB 1.304 17 residues pruned to eliminate duplicates Z: 19 20.755 1.999 0.413 0.885 0.944 0.778 CB 1.324 19 residues pruned to eliminate duplicates Z: 38 34.107 2.133 0.521 0.775 0.973 0.703 CB 1.392 38 residues pruned to eliminate duplicates Z: 49 38.265 2.090 0.634 0.635 0.979 0.688 CB 1.456 49 residues pruned to eliminate duplicates Z: 17 17.744 1.884 0.863 0.523 0.938 0.750 CB 1.319 17 residues pruned to eliminate duplicates Z: 8 8.018 1.802 0.979 0.372 0.857 0.571 CB 1.137 6 1.973 1.528 0.349 0.321 0.600 0.400 N 0.869 ? Z: 83 65.997 2.190 0.906 0.661 0.927 0.707 CB 1.624 83 residues pruned to eliminate duplicates Z: 12 14.735 1.958 0.348 0.779 1.000 0.727 CB 1.316 12 residues pruned to eliminate duplicates Z: 46 34.537 2.112 0.587 0.610 0.933 0.600 CB 1.482 46 residues pruned to eliminate duplicates Z: 26 24.916 2.028 0.617 0.917 0.920 0.520 CB 1.166 26 residues pruned to eliminate duplicates Z: 8 2.664 1.585 0.006 0.376 0.714 0.286 CB 1.009 8 residues pruned to eliminate duplicates Z: 16 4.633 1.501 0.506 0.265 0.667 0.600 CB 1.037 9 residues pruned to eliminate duplicates Z: 10 9.030 1.947 0.153 0.833 0.889 0.667 CB 1.132 10 residues pruned to eliminate duplicates Z: 20 22.392 1.910 0.569 0.881 0.947 0.789 CB 1.310 20 residues pruned to eliminate duplicates Z: 14 10.072 1.774 0.822 0.506 1.000 0.769 CB 0.859 14 residues pruned to eliminate duplicates Z: 20 17.291 1.916 0.747 0.433 0.947 0.632 CB 1.341 20 residues pruned to eliminate duplicates Z: 41 35.852 2.160 0.682 0.638 0.950 0.775 CB 1.443 41 residues pruned to eliminate duplicates Z: 7 6.550 1.732 0.451 0.653 1.000 0.667 N 0.923 Z: 45 48.640 2.141 0.908 0.735 0.909 0.682 CB 1.599 45 residues pruned to eliminate duplicates Z: 30 45.448 2.226 0.984 0.720 0.966 0.828 CB 1.622 30 residues pruned to eliminate duplicates Z: 15 22.578 1.953 0.777 0.881 0.929 0.857 CB 1.356 15 residues pruned to eliminate duplicates Z: 26 48.121 2.260 0.946 0.898 0.960 0.760 CB 1.631 26 residues pruned to eliminate duplicates Z: 26 17.295 1.979 0.429 0.493 0.920 0.520 CB 1.339 41 residues pruned to eliminate duplicates Z: 7 5.384 1.718 0.392 0.498 0.667 0.500 N 1.381 Z: 28 38.468 2.167 0.853 0.759 1.000 0.889 CB 1.465 28 residues pruned to eliminate duplicates Z: 10 13.110 1.937 0.263 0.896 1.000 0.778 CB 1.280 10 residues pruned to eliminate duplicates Z: 15 12.232 1.793 0.788 0.527 0.857 0.429 CB 1.158 15 residues pruned to eliminate duplicates Z: 17 15.180 1.973 0.757 0.845 0.750 0.562 CB 1.085 17 residues pruned to eliminate duplicates Z: 12 8.206 1.904 0.546 0.339 0.727 0.455 CA 1.378 12 residues pruned to eliminate duplicates Z: 26 24.251 1.994 0.425 0.881 0.960 0.720 CB 1.287 26 residues pruned to eliminate duplicates Z: 26 24.287 2.046 0.641 0.869 0.880 0.680 CB 1.201 26 residues pruned to eliminate duplicates Z: 26 23.279 2.024 0.391 0.851 0.960 0.640 CB 1.274 26 residues pruned to eliminate duplicates Z: 15 21.647 2.002 0.776 0.708 0.857 0.857 CA 1.571 15 residues pruned to eliminate duplicates Z: 29 30.145 2.049 0.620 0.744 0.964 0.857 CB 1.431 29 residues pruned to eliminate duplicates Z: 6 4.273 1.579 0.643 0.378 0.800 0.600 O 1.049 Z: 17 14.412 1.787 0.822 0.569 0.812 0.562 CB 1.275 17 residues pruned to eliminate duplicates Z: 7 3.790 1.615 -0.171 0.642 1.000 1.000 CB 1.012 7 residues pruned to eliminate duplicates Z: 8 2.865 1.337 0.496 0.337 0.714 0.429 C 0.906 Z: 40 30.204 1.988 0.951 0.485 0.821 0.667 CB 1.543 37 residues pruned to eliminate duplicates Z: 9 12.969 1.880 1.174 0.648 1.000 0.875 CB 0.977 Z: 6 6.732 1.764 -0.058 0.880 1.000 1.000 CB 1.313 6 residues pruned to eliminate duplicates Z: 30 44.725 2.268 0.847 0.699 0.966 0.759 CB 1.713 30 residues pruned to eliminate duplicates Z: 9 4.337 1.486 0.043 0.689 1.000 0.750 CB 0.832 4 residues pruned to eliminate duplicates Z: 45 36.685 2.086 0.724 0.689 0.955 0.636 CB 1.354 45 residues pruned to eliminate duplicates Z: 24 20.453 2.029 0.304 0.884 0.957 0.696 CB 1.218 24 residues pruned to eliminate duplicates Z: 15 31.096 2.083 0.921 0.933 1.000 0.714 CB 1.450 15 residues pruned to eliminate duplicates Z: 70 45.508 2.076 0.884 0.549 0.899 0.507 CB 1.486 78 residues pruned to eliminate duplicates Z: 17 11.167 1.792 0.581 0.405 0.875 0.312 CA 1.245 17 residues pruned to eliminate duplicates Z: 9 7.037 1.664 0.230 0.738 0.875 0.500 CB 1.123 7 residues pruned to eliminate duplicates Z: 15 24.726 1.916 0.906 0.915 1.000 0.786 CB 1.278 15 residues pruned to eliminate duplicates 6 1.876 1.299 -0.123 0.516 1.000 0.400 C 0.725 ? Z: 11 16.395 1.592 1.046 0.880 1.000 0.500 CB 1.153 11 residues pruned to eliminate duplicates Z: 8 4.741 1.682 0.033 0.482 1.000 0.571 CB 1.050 Z: 30 24.377 2.085 0.726 0.517 0.828 0.552 CB 1.494 30 residues pruned to eliminate duplicates Z: 25 28.124 1.941 0.719 0.712 0.958 0.792 CB 1.482 25 residues pruned to eliminate duplicates Z: 10 5.240 1.670 0.417 0.410 0.778 0.667 CB 1.043 10 residues pruned to eliminate duplicates Z: 28 24.612 1.976 0.797 0.673 0.926 0.593 CB 1.228 29 residues pruned to eliminate duplicates Z: 27 22.620 1.969 0.363 0.830 0.962 0.654 CB 1.292 27 residues pruned to eliminate duplicates Z: 8 3.367 1.639 0.006 0.365 0.857 0.571 CB 1.041 8 residues pruned to eliminate duplicates Z: 42 43.280 2.199 0.758 0.707 0.927 0.610 CB 1.564 42 residues pruned to eliminate duplicates Z: 8 5.950 1.800 -0.021 0.805 0.857 0.429 CB 1.141 8 residues pruned to eliminate duplicates Z: 8 4.898 1.834 0.232 0.775 0.714 0.571 CB 0.900 8 residues pruned to eliminate duplicates Z: 11 4.234 1.448 0.618 0.283 0.700 0.400 O 1.043 Z: 30 28.219 2.170 0.932 0.526 0.862 0.690 CB 1.413 30 residues pruned to eliminate duplicates Z: 6 3.409 1.253 0.726 0.526 0.800 0.600 N 0.859 Z: 7 8.266 1.827 0.692 0.849 1.000 1.000 N 0.809 7 residues pruned to eliminate duplicates Z: 6 4.478 1.528 0.170 0.614 0.800 0.600 CB 1.257 6 residues pruned to eliminate duplicates Z: 18 30.063 2.096 1.035 0.613 1.000 0.765 CB 1.536 18 residues pruned to eliminate duplicates Z: 17 3.872 1.471 0.201 0.226 0.750 0.375 CB 1.006 17 residues pruned to eliminate duplicates Z: 24 22.997 2.062 0.556 0.715 0.913 0.565 CB 1.347 24 residues pruned to eliminate duplicates Z: 9 17.433 2.014 0.867 0.822 0.875 0.500 CA 1.417 9 residues pruned to eliminate duplicates Z: 42 36.045 2.171 0.625 0.649 0.927 0.707 CB 1.499 42 residues pruned to eliminate duplicates Z: 12 17.065 1.810 0.581 0.847 1.000 0.818 CB 1.335 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 14 10.938 1.828 0.895 0.548 0.923 0.615 N 0.905 13 residues pruned to eliminate duplicates Z: 16 24.260 2.000 0.821 0.809 1.000 0.800 CB 1.313 16 residues pruned to eliminate duplicates Z: 35 29.609 1.925 0.794 0.646 0.912 0.735 CB 1.407 35 residues pruned to eliminate duplicates Z: 23 22.202 1.955 0.649 0.778 0.909 0.591 CB 1.263 23 residues pruned to eliminate duplicates Z: 15 10.682 1.926 0.316 0.431 0.929 0.571 CB 1.304 Z: 6 6.407 1.550 0.892 0.398 0.800 0.600 N 1.361 6 residues pruned to eliminate duplicates Z: 11 6.893 1.996 0.432 0.317 0.800 0.400 CB 1.167 11 residues pruned to eliminate duplicates Z: 13 10.470 1.927 0.523 0.465 0.917 0.500 CB 1.164 16 residues pruned to eliminate duplicates Z: 7 6.903 1.512 0.793 0.498 1.000 0.333 CA 1.042 7 residues pruned to eliminate duplicates Z: 57 47.337 2.167 0.869 0.576 0.929 0.589 CB 1.563 57 residues pruned to eliminate duplicates Z: 45 46.644 2.194 0.898 0.593 0.932 0.682 CB 1.658 45 residues pruned to eliminate duplicates Z: 42 47.563 2.241 0.909 0.605 0.951 0.683 CB 1.652 42 residues pruned to eliminate duplicates Z: 84 71.901 2.201 0.956 0.685 0.964 0.687 CB 1.604 84 residues pruned to eliminate duplicates Z: 98 75.928 2.210 0.911 0.674 0.979 0.722 CB 1.588 103 residues pruned to eliminate duplicates Z: 6 3.966 1.627 0.583 0.296 0.800 0.400 CA 1.082 Z: 6 5.877 1.545 0.993 0.442 0.800 0.600 N 1.133 6 residues pruned to eliminate duplicates Z: 28 47.617 2.314 0.897 0.750 0.963 0.889 CB 1.734 28 residues pruned to eliminate duplicates Z: 48 44.492 2.147 0.811 0.618 0.979 0.660 CB 1.525 48 residues pruned to eliminate duplicates Z: 83 65.131 2.215 0.790 0.673 0.951 0.707 CB 1.625 83 residues pruned to eliminate duplicates Z: 32 40.458 2.176 0.793 0.642 1.000 0.710 CB 1.631 32 residues pruned to eliminate duplicates Z: 31 43.896 2.218 0.987 0.663 0.933 0.800 CB 1.675 31 residues pruned to eliminate duplicates Z: 53 46.655 2.138 0.788 0.634 0.981 0.731 CB 1.522 53 residues pruned to eliminate duplicates Z: 29 48.224 2.268 0.929 0.758 1.000 0.893 CB 1.655 29 residues pruned to eliminate duplicates Z: 28 50.470 2.318 0.940 0.736 1.000 0.889 CB 1.747 28 residues pruned to eliminate duplicates Z: 28 49.413 2.276 1.186 0.752 0.963 0.704 CB 1.585 28 residues pruned to eliminate duplicates Z: 67 44.642 2.091 0.919 0.506 0.909 0.576 CB 1.497 67 residues pruned to eliminate duplicates Z: 46 44.884 2.193 0.800 0.654 0.933 0.733 CB 1.573 46 residues pruned to eliminate duplicates Z: 83 78.421 2.241 0.989 0.722 0.963 0.768 CB 1.651 83 residues pruned to eliminate duplicates Z: 84 72.774 2.239 0.896 0.692 0.964 0.687 CB 1.638 84 residues pruned to eliminate duplicates Z: 28 51.563 2.304 1.116 0.721 0.963 0.778 CB 1.731 28 residues pruned to eliminate duplicates Z: 43 38.042 2.081 0.797 0.620 0.952 0.571 CB 1.473 43 residues pruned to eliminate duplicates Z: 56 47.288 2.124 0.826 0.609 0.982 0.727 CB 1.510 56 residues pruned to eliminate duplicates Z: 68 44.947 2.092 0.834 0.547 0.925 0.687 CB 1.477 68 residues pruned to eliminate duplicates Z: 41 50.856 2.244 0.941 0.668 0.975 0.800 CB 1.621 41 residues pruned to eliminate duplicates Z: 58 46.726 2.165 0.863 0.568 0.930 0.614 CB 1.545 58 residues pruned to eliminate duplicates Z: 57 53.565 2.175 0.986 0.613 0.964 0.696 CB 1.544 57 residues pruned to eliminate duplicates Z: 47 40.857 2.141 0.838 0.595 0.935 0.630 CB 1.495 47 residues pruned to eliminate duplicates Z: 45 43.960 2.150 0.951 0.590 0.932 0.682 CB 1.555 45 residues pruned to eliminate duplicates Z: 46 41.858 2.141 0.951 0.575 0.933 0.489 CB 1.488 46 residues pruned to eliminate duplicates Z: 39 53.271 2.271 0.993 0.699 0.974 0.711 CB 1.635 39 residues pruned to eliminate duplicates Z: 45 40.277 2.115 0.861 0.602 0.909 0.659 CB 1.539 45 residues pruned to eliminate duplicates Z: 23 13.887 1.843 0.433 0.458 0.909 0.455 CB 1.287 23 residues pruned to eliminate duplicates Z: 44 24.166 1.918 0.767 0.481 0.837 0.512 CB 1.324 44 residues pruned to eliminate duplicates Z: 56 44.167 2.137 0.917 0.543 0.927 0.600 CB 1.503 56 residues pruned to eliminate duplicates Z: 42 45.257 2.173 1.030 0.617 0.927 0.610 CB 1.547 42 residues pruned to eliminate duplicates Z: 28 18.815 2.003 0.602 0.422 0.926 0.556 CB 1.322 28 residues pruned to eliminate duplicates Z: 19 15.307 1.817 0.504 0.574 1.000 0.444 CB 1.229 19 residues pruned to eliminate duplicates Z: 110 68.605 2.159 0.858 0.637 0.927 0.624 CB 1.554 110 residues pruned to eliminate duplicates Z: 57 45.332 2.099 0.841 0.606 0.946 0.589 CB 1.497 57 residues pruned to eliminate duplicates Z: 15 12.004 1.792 0.792 0.574 0.857 0.571 CB 1.085 15 residues pruned to eliminate duplicates Z: 102 73.613 2.207 0.886 0.675 0.931 0.733 CB 1.608 102 residues pruned to eliminate duplicates Z: 10 5.683 1.631 1.006 0.364 0.778 0.444 CB 0.862 10 residues pruned to eliminate duplicates Z: 93 67.103 2.162 0.914 0.654 0.902 0.630 CB 1.625 93 residues pruned to eliminate duplicates Z: 98 70.725 2.202 0.866 0.668 0.938 0.629 CB 1.594 82 residues pruned to eliminate duplicates Z: 6 3.028 1.614 0.817 0.137 0.600 0.600 CA 1.207 6 residues pruned to eliminate duplicates Z: 33 47.231 2.213 0.995 0.736 0.969 0.750 CB 1.580 33 residues pruned to eliminate duplicates Z: 95 68.172 2.191 0.814 0.669 0.957 0.628 CB 1.580 95 residues pruned to eliminate duplicates Z: 53 57.991 2.228 0.862 0.729 0.962 0.712 CB 1.640 53 residues pruned to eliminate duplicates Z: 55 55.382 2.184 0.913 0.691 0.944 0.648 CB 1.604 55 residues pruned to eliminate duplicates Z: 55 53.724 2.191 0.819 0.684 0.963 0.574 CB 1.610 55 residues pruned to eliminate duplicates Z: 83 64.464 2.195 0.806 0.679 0.927 0.585 CB 1.643 83 residues pruned to eliminate duplicates Z: 50 42.044 2.129 0.660 0.702 0.918 0.592 CB 1.540 50 residues pruned to eliminate duplicates Z: 83 69.915 2.233 0.881 0.686 0.951 0.598 CB 1.629 83 residues pruned to eliminate duplicates Z: 31 45.619 2.251 0.885 0.741 1.000 0.733 CB 1.582 31 residues pruned to eliminate duplicates Z: 40 55.853 2.262 0.927 0.764 0.949 0.667 CB 1.711 40 residues pruned to eliminate duplicates Z: 49 41.309 2.094 0.973 0.637 0.854 0.521 CB 1.486 49 residues pruned to eliminate duplicates Z: 40 57.503 2.298 0.915 0.790 0.974 0.641 CB 1.664 40 residues pruned to eliminate duplicates Z: 41 41.951 2.156 0.941 0.627 0.925 0.600 CB 1.520 41 residues pruned to eliminate duplicates Z: 42 50.713 2.219 0.954 0.735 0.927 0.659 CB 1.596 42 residues pruned to eliminate duplicates Z: 83 71.351 2.247 0.938 0.684 0.939 0.695 CB 1.628 83 residues pruned to eliminate duplicates Z: 46 46.648 2.210 0.876 0.697 0.867 0.556 CB 1.617 46 residues pruned to eliminate duplicates Z: 30 45.887 2.262 0.854 0.769 0.966 0.724 CB 1.658 30 residues pruned to eliminate duplicates Z: 54 56.712 2.212 0.929 0.730 0.925 0.623 CB 1.605 54 residues pruned to eliminate duplicates Z: 82 69.428 2.254 0.834 0.684 0.963 0.642 CB 1.636 82 residues pruned to eliminate duplicates Z: 41 47.380 2.228 0.797 0.741 0.925 0.600 CB 1.630 41 residues pruned to eliminate duplicates Z: 93 68.941 2.232 0.779 0.693 0.957 0.674 CB 1.586 93 residues pruned to eliminate duplicates Z: 54 53.163 2.196 0.800 0.711 0.962 0.679 CB 1.585 54 residues pruned to eliminate duplicates Z: 44 49.965 2.212 0.851 0.724 0.953 0.674 CB 1.595 44 residues pruned to eliminate duplicates Z: 81 72.245 2.250 0.920 0.706 0.950 0.650 CB 1.633 81 residues pruned to eliminate duplicates Z: 55 56.933 2.210 0.932 0.682 0.963 0.611 CB 1.594 55 residues pruned to eliminate duplicates Z: 100 64.195 2.195 0.681 0.652 0.960 0.636 CB 1.581 100 residues pruned to eliminate duplicates Z: 94 62.798 2.196 0.762 0.653 0.925 0.645 CB 1.579 94 residues pruned to eliminate duplicates Z: 55 53.107 2.168 0.869 0.683 0.944 0.667 CB 1.596 55 residues pruned to eliminate duplicates Z: 41 52.368 2.228 0.824 0.777 0.950 0.725 CB 1.679 41 residues pruned to eliminate duplicates Z: 41 52.750 2.209 0.826 0.755 0.975 0.775 CB 1.690 41 residues pruned to eliminate duplicates Z: 43 52.756 2.229 0.889 0.743 0.952 0.738 CB 1.633 43 residues pruned to eliminate duplicates Z: 41 51.171 2.237 0.836 0.742 0.950 0.700 CB 1.669 41 residues pruned to eliminate duplicates Z: 55 57.303 2.217 0.923 0.688 0.944 0.648 CB 1.630 55 residues pruned to eliminate duplicates Z: 53 52.406 2.224 0.793 0.691 0.942 0.731 CB 1.624 53 residues pruned to eliminate duplicates Z: 84 74.108 2.236 0.943 0.697 0.940 0.711 CB 1.666 84 residues pruned to eliminate duplicates Z: 53 54.268 2.224 0.842 0.671 0.942 0.673 CB 1.664 53 residues pruned to eliminate duplicates Z: 15 20.582 2.050 0.979 0.548 0.857 0.714 CB 1.510 15 residues pruned to eliminate duplicates Z: 14 19.523 2.037 0.818 0.458 0.923 0.538 CB 1.654 14 residues pruned to eliminate duplicates Z: 17 20.142 2.006 0.945 0.456 0.875 0.625 CB 1.543 17 residues pruned to eliminate duplicates Z: 56 56.622 2.194 0.858 0.677 0.964 0.764 CB 1.652 56 residues pruned to eliminate duplicates Z: 16 16.202 2.016 0.828 0.474 0.867 0.600 CB 1.344 16 residues pruned to eliminate duplicates Z: 54 58.082 2.214 0.938 0.691 0.943 0.623 CB 1.656 54 residues pruned to eliminate duplicates Z: 101 67.550 2.189 0.811 0.646 0.950 0.630 CB 1.565 101 residues pruned to eliminate duplicates Z: 8 5.452 1.601 -0.006 0.724 0.857 0.714 CA 1.235 8 residues pruned to eliminate duplicates Z: 17 12.681 1.770 0.304 0.533 1.000 0.688 CB 1.329 17 residues pruned to eliminate duplicates Z: 7 9.196 1.747 0.230 0.867 1.000 0.667 CA 1.278 6 residues pruned to eliminate duplicates Z: 7 8.662 1.749 0.274 0.872 1.000 0.667 CB 1.158 7 residues pruned to eliminate duplicates Z: 34 24.027 1.905 0.614 0.508 0.970 0.636 CB 1.392 58 residues pruned to eliminate duplicates Z: 14 6.777 1.690 0.154 0.563 0.846 0.769 CB 1.071 Z: 8 8.359 1.724 0.361 0.872 0.857 0.714 CA 1.145 14 residues pruned to eliminate duplicates Z: 8 8.165 1.738 0.312 0.762 0.857 0.286 CA 1.251 8 residues pruned to eliminate duplicates Z: 24 12.469 1.803 0.419 0.406 0.870 0.478 CB 1.290 7 residues pruned to eliminate duplicates Z: 6 4.216 1.486 0.727 0.279 0.800 0.200 CB 1.179 6 residues pruned to eliminate duplicates Z: 23 18.663 1.839 0.646 0.620 0.909 0.727 CB 1.291 23 residues pruned to eliminate duplicates Z: 6 3.090 1.533 0.680 0.391 0.600 0.400 CB 1.003 6 residues pruned to eliminate duplicates Z: 35 23.168 1.841 0.632 0.548 0.882 0.647 CB 1.431 60 residues pruned to eliminate duplicates Z: 14 14.902 1.876 0.619 0.546 0.923 0.692 CB 1.409 Z: 6 6.231 1.645 0.622 0.352 1.000 1.000 C 1.226 6 residues pruned to eliminate duplicates Z: 13 20.276 2.038 0.942 0.512 1.000 0.667 CB 1.462 13 residues pruned to eliminate duplicates Z: 6 3.126 1.765 0.129 0.291 0.600 0.400 N 1.478 6 residues pruned to eliminate duplicates Z: 22 28.770 2.064 0.977 0.538 0.905 0.619 CB 1.639 36 residues pruned to eliminate duplicates Z: 36 20.832 1.794 0.672 0.554 0.914 0.743 CB 1.217 36 residues pruned to eliminate duplicates Z: 29 32.877 1.981 0.798 0.737 0.964 0.750 CB 1.462 29 residues pruned to eliminate duplicates Z: 28 36.575 2.032 0.810 0.751 1.000 0.889 CB 1.530 28 residues pruned to eliminate duplicates Z: 28 34.035 2.035 0.686 0.742 1.000 0.778 CB 1.538 28 residues pruned to eliminate duplicates Z: 28 34.426 2.017 0.721 0.771 1.000 0.741 CB 1.502 28 residues pruned to eliminate duplicates Z: 27 33.396 2.074 0.625 0.747 1.000 0.731 CB 1.558 27 residues pruned to eliminate duplicates Z: 26 39.331 2.121 0.847 0.797 1.000 0.800 CB 1.548 26 residues pruned to eliminate duplicates Z: 43 32.067 1.909 0.577 0.675 0.976 0.714 CB 1.434 43 residues pruned to eliminate duplicates Z: 26 38.300 2.119 0.810 0.778 1.000 0.920 CB 1.563 26 residues pruned to eliminate duplicates Z: 26 29.880 1.990 0.757 0.693 0.960 0.600 CB 1.492 26 residues pruned to eliminate duplicates Z: 26 29.665 1.974 0.813 0.666 0.960 0.840 CB 1.481 26 residues pruned to eliminate duplicates Z: 27 36.828 2.075 0.808 0.764 1.000 0.846 CB 1.523 27 residues pruned to eliminate duplicates Z: 22 37.956 2.184 0.981 0.779 1.000 0.857 CB 1.497 22 residues pruned to eliminate duplicates Z: 26 36.228 2.104 0.821 0.762 1.000 0.800 CB 1.499 26 residues pruned to eliminate duplicates Z: 29 32.675 1.949 0.873 0.735 0.964 0.750 CB 1.420 29 residues pruned to eliminate duplicates Z: 27 38.825 2.064 0.984 0.757 1.000 0.808 CB 1.480 27 residues pruned to eliminate duplicates Z: 27 36.078 2.068 0.883 0.737 0.962 0.769 CB 1.527 27 residues pruned to eliminate duplicates Z: 26 40.756 2.122 0.886 0.808 1.000 0.800 CB 1.557 26 residues pruned to eliminate duplicates Z: 26 41.925 2.125 0.973 0.798 1.000 0.800 CB 1.541 26 residues pruned to eliminate duplicates Z: 27 36.042 2.052 0.879 0.757 0.962 0.808 CB 1.517 27 residues pruned to eliminate duplicates Z: 28 30.482 2.015 0.782 0.724 0.926 0.778 CB 1.442 28 residues pruned to eliminate duplicates Z: 26 35.753 2.074 0.803 0.775 0.960 0.760 CB 1.563 26 residues pruned to eliminate duplicates Z: 27 39.755 2.085 0.886 0.777 1.000 0.731 CB 1.552 27 residues pruned to eliminate duplicates Z: 26 39.054 2.117 0.860 0.767 1.000 0.800 CB 1.566 26 residues pruned to eliminate duplicates Z: 26 37.496 2.108 0.877 0.769 0.960 0.880 CB 1.556 26 residues pruned to eliminate duplicates Z: 26 39.171 2.119 0.868 0.786 1.000 0.800 CB 1.539 26 residues pruned to eliminate duplicates Z: 14 29.813 2.241 1.093 0.706 0.923 0.692 CB 1.584 14 residues pruned to eliminate duplicates Z: 50 39.999 2.138 0.647 0.701 0.939 0.592 CB 1.440 50 residues pruned to eliminate duplicates Z: 15 26.159 2.140 0.897 0.681 0.929 0.714 CB 1.571 15 residues pruned to eliminate duplicates Z: 14 28.773 2.229 0.935 0.737 0.923 0.692 CB 1.620 14 residues pruned to eliminate duplicates Z: 55 35.679 2.013 0.729 0.663 0.889 0.537 CB 1.349 55 residues pruned to eliminate duplicates Z: 51 37.427 2.105 0.626 0.697 0.920 0.700 CB 1.404 51 residues pruned to eliminate duplicates Z: 14 29.659 2.241 0.985 0.735 0.923 0.692 CB 1.622 14 residues pruned to eliminate duplicates Z: 51 39.652 2.101 0.764 0.694 0.920 0.620 CB 1.377 51 residues pruned to eliminate duplicates Z: 41 33.153 2.064 0.568 0.794 0.950 0.675 CB 1.318 41 residues pruned to eliminate duplicates Z: 44 34.795 2.149 0.628 0.713 0.907 0.628 CB 1.378 44 residues pruned to eliminate duplicates Z: 47 39.801 2.108 0.675 0.743 0.935 0.609 CB 1.430 47 residues pruned to eliminate duplicates Z: 51 37.237 2.101 0.678 0.678 0.920 0.660 CB 1.379 51 residues pruned to eliminate duplicates Z: 39 36.010 2.120 0.652 0.777 0.947 0.658 CB 1.379 39 residues pruned to eliminate duplicates Z: 40 37.264 2.066 0.672 0.779 0.974 0.667 CB 1.386 40 residues pruned to eliminate duplicates Z: 48 33.604 2.049 0.597 0.699 0.894 0.617 CB 1.397 48 residues pruned to eliminate duplicates Z: 51 38.671 2.105 0.644 0.723 0.920 0.580 CB 1.405 51 residues pruned to eliminate duplicates Z: 47 38.822 2.108 0.756 0.680 0.913 0.565 CB 1.435 47 residues pruned to eliminate duplicates Z: 51 40.303 2.104 0.689 0.712 0.940 0.680 CB 1.408 51 residues pruned to eliminate duplicates Z: 34 34.311 2.117 0.625 0.734 0.970 0.758 CB 1.451 34 residues pruned to eliminate duplicates Z: 53 36.210 2.037 0.594 0.688 0.942 0.577 CB 1.382 53 residues pruned to eliminate duplicates Z: 50 40.723 2.113 0.788 0.710 0.918 0.612 CB 1.386 50 residues pruned to eliminate duplicates Z: 52 40.248 2.061 0.765 0.669 0.961 0.667 CB 1.379 52 residues pruned to eliminate duplicates Z: 51 39.703 2.111 0.772 0.718 0.880 0.560 CB 1.401 51 residues pruned to eliminate duplicates Z: 51 37.904 2.099 0.672 0.692 0.920 0.600 CB 1.393 51 residues pruned to eliminate duplicates Z: 46 34.842 2.088 0.737 0.665 0.933 0.600 CB 1.317 46 residues pruned to eliminate duplicates Z: 58 36.613 2.041 0.731 0.622 0.930 0.561 CB 1.316 58 residues pruned to eliminate duplicates Z: 51 38.427 2.098 0.684 0.686 0.940 0.640 CB 1.379 51 residues pruned to eliminate duplicates Z: 47 38.100 2.093 0.751 0.701 0.957 0.674 CB 1.334 47 residues pruned to eliminate duplicates Z: 39 39.058 2.150 0.733 0.805 0.947 0.789 CB 1.376 39 residues pruned to eliminate duplicates Z: 53 41.973 2.051 0.759 0.687 0.981 0.673 CB 1.386 53 residues pruned to eliminate duplicates Z: 53 37.317 2.031 0.751 0.672 0.923 0.519 CB 1.345 53 residues pruned to eliminate duplicates Z: 24 17.362 1.913 0.747 0.554 0.826 0.435 CB 1.245 24 residues pruned to eliminate duplicates Z: 52 38.372 2.060 0.743 0.674 0.922 0.627 CB 1.384 52 residues pruned to eliminate duplicates Z: 23 16.003 1.984 0.706 0.528 0.818 0.455 CB 1.199 23 residues pruned to eliminate duplicates Z: 41 33.229 2.055 0.693 0.793 0.925 0.650 CB 1.263 41 residues pruned to eliminate duplicates Z: 51 45.587 2.112 0.839 0.714 0.980 0.660 CB 1.396 51 residues pruned to eliminate duplicates Z: 53 39.432 2.049 0.751 0.668 0.962 0.615 CB 1.357 53 residues pruned to eliminate duplicates Z: 52 40.924 2.082 0.775 0.692 0.941 0.647 CB 1.382 52 residues pruned to eliminate duplicates Z: 22 13.449 2.003 0.478 0.528 0.762 0.381 CB 1.266 22 residues pruned to eliminate duplicates Z: 52 33.902 2.010 0.674 0.653 0.922 0.647 CB 1.329 52 residues pruned to eliminate duplicates Z: 22 18.860 1.982 0.797 0.547 0.857 0.429 CB 1.288 22 residues pruned to eliminate duplicates Z: 22 21.716 2.065 0.920 0.531 0.857 0.524 CB 1.353 22 residues pruned to eliminate duplicates Z: 14 11.579 1.824 0.582 0.387 0.923 0.615 CB 1.359 14 residues pruned to eliminate duplicates Z: 48 39.659 2.077 0.742 0.705 0.957 0.638 CB 1.386 48 residues pruned to eliminate duplicates Z: 22 16.298 1.920 0.730 0.539 0.857 0.333 CB 1.202 22 residues pruned to eliminate duplicates Z: 77 54.095 2.107 0.903 0.692 0.934 0.684 CB 1.390 77 residues pruned to eliminate duplicates Z: 13 11.253 1.903 0.606 0.425 0.833 0.667 CB 1.379 13 residues pruned to eliminate duplicates Z: 11 8.223 1.794 0.620 0.304 0.800 0.600 CB 1.392 11 residues pruned to eliminate duplicates Z: 32 15.600 1.908 0.649 0.503 0.806 0.452 CB 1.100 32 residues pruned to eliminate duplicates Z: 61 48.406 2.077 0.876 0.637 0.950 0.783 CB 1.484 61 residues pruned to eliminate duplicates Z: 84 76.587 2.219 0.967 0.723 0.964 0.759 CB 1.633 84 residues pruned to eliminate duplicates Z: 96 69.238 2.152 0.874 0.660 0.947 0.737 CB 1.603 96 residues pruned to eliminate duplicates Z: 60 48.313 2.085 0.844 0.683 0.966 0.661 CB 1.431 60 residues pruned to eliminate duplicates Z: 83 76.526 2.224 1.010 0.727 0.951 0.720 CB 1.620 83 residues pruned to eliminate duplicates Z: 45 47.831 2.122 0.870 0.776 0.955 0.818 CB 1.492 45 residues pruned to eliminate duplicates Z: 55 60.244 2.200 1.008 0.734 0.963 0.593 CB 1.562 55 residues pruned to eliminate duplicates Z: 67 54.822 2.140 0.805 0.683 0.985 0.818 CB 1.499 67 residues pruned to eliminate duplicates Z: 56 54.336 2.179 0.870 0.729 0.945 0.800 CB 1.548 56 residues pruned to eliminate duplicates Z: 61 45.039 2.094 0.732 0.652 0.933 0.683 CB 1.490 61 residues pruned to eliminate duplicates Z: 84 72.728 2.213 0.875 0.710 0.976 0.783 CB 1.629 84 residues pruned to eliminate duplicates Z: 64 44.558 2.131 0.715 0.621 0.937 0.571 CB 1.463 64 residues pruned to eliminate duplicates Z: 42 52.453 2.209 0.878 0.782 0.951 0.732 CB 1.619 42 residues pruned to eliminate duplicates Z: 53 58.924 2.229 0.901 0.724 0.981 0.750 CB 1.606 53 residues pruned to eliminate duplicates Z: 45 47.678 2.110 0.896 0.714 0.932 0.705 CB 1.588 45 residues pruned to eliminate duplicates Z: 43 46.039 2.173 0.795 0.718 0.929 0.786 CB 1.610 43 residues pruned to eliminate duplicates Z: 56 48.270 2.175 0.710 0.675 0.964 0.709 CB 1.546 56 residues pruned to eliminate duplicates Z: 58 49.686 2.158 0.726 0.691 0.965 0.684 CB 1.537 58 residues pruned to eliminate duplicates Z: 99 70.790 2.186 0.836 0.665 0.969 0.663 CB 1.577 99 residues pruned to eliminate duplicates Z: 109 70.759 2.165 0.863 0.631 0.944 0.694 CB 1.580 109 residues pruned to eliminate duplicates Z: 44 52.644 2.194 0.866 0.742 0.977 0.767 CB 1.616 44 residues pruned to eliminate duplicates Z: 54 55.498 2.215 0.813 0.748 0.962 0.736 CB 1.581 54 residues pruned to eliminate duplicates Z: 42 56.901 2.217 0.953 0.778 0.976 0.780 CB 1.646 42 residues pruned to eliminate duplicates Z: 42 53.197 2.199 0.799 0.774 1.000 0.756 CB 1.648 42 residues pruned to eliminate duplicates Z: 47 45.589 2.151 0.766 0.703 0.935 0.630 CB 1.573 47 residues pruned to eliminate duplicates Z: 57 52.345 2.151 0.898 0.703 0.946 0.750 CB 1.506 57 residues pruned to eliminate duplicates Z: 85 71.930 2.202 0.882 0.702 0.976 0.762 CB 1.614 85 residues pruned to eliminate duplicates Z: 53 47.908 2.211 0.643 0.713 0.981 0.750 CB 1.537 53 residues pruned to eliminate duplicates Z: 83 71.266 2.220 0.865 0.704 0.963 0.744 CB 1.638 83 residues pruned to eliminate duplicates Z: 42 50.565 2.216 0.797 0.762 0.951 0.805 CB 1.652 42 residues pruned to eliminate duplicates Z: 51 49.569 2.148 0.830 0.694 0.940 0.780 CB 1.589 51 residues pruned to eliminate duplicates Z: 42 48.713 2.207 0.736 0.743 0.976 0.756 CB 1.637 42 residues pruned to eliminate duplicates Z: 60 42.512 2.012 0.792 0.607 0.966 0.712 CB 1.435 60 residues pruned to eliminate duplicates Z: 49 49.985 2.125 0.833 0.716 0.979 0.792 CA 1.557 49 residues pruned to eliminate duplicates Z: 134 67.796 2.109 0.756 0.662 0.940 0.662 CB 1.453 134 residues pruned to eliminate duplicates Z: 53 63.541 2.202 1.111 0.724 0.962 0.596 CB 1.610 53 residues pruned to eliminate duplicates Z: 59 45.156 2.107 0.790 0.622 0.931 0.672 CB 1.506 59 residues pruned to eliminate duplicates Z: 109 70.547 2.189 0.780 0.634 0.963 0.657 CB 1.595 109 residues pruned to eliminate duplicates Z: 100 69.255 2.192 0.819 0.650 0.949 0.687 CB 1.599 100 residues pruned to eliminate duplicates Z: 132 75.060 2.124 0.868 0.690 0.939 0.679 CB 1.480 132 residues pruned to eliminate duplicates Z: 43 51.653 2.156 0.819 0.782 0.976 0.810 CB 1.624 43 residues pruned to eliminate duplicates Z: 55 52.318 2.194 0.760 0.708 0.981 0.759 CB 1.555 55 residues pruned to eliminate duplicates Z: 55 47.937 2.186 0.673 0.718 0.926 0.685 CB 1.581 55 residues pruned to eliminate duplicates Z: 61 36.515 2.036 0.646 0.574 0.933 0.650 CB 1.403 61 residues pruned to eliminate duplicates Z: 22 12.066 1.860 0.405 0.438 0.905 0.571 CB 1.187 22 residues pruned to eliminate duplicates Z: 51 41.720 2.146 0.743 0.620 0.920 0.700 CB 1.531 51 residues pruned to eliminate duplicates Z: 42 48.240 2.187 0.985 0.637 0.927 0.732 CB 1.647 42 residues pruned to eliminate duplicates Z: 43 48.095 2.187 0.992 0.634 0.929 0.643 CB 1.618 43 residues pruned to eliminate duplicates Z: 53 48.739 2.157 0.719 0.731 0.962 0.769 CB 1.540 53 residues pruned to eliminate duplicates Z: 53 48.949 2.200 0.756 0.699 0.942 0.692 CB 1.555 53 residues pruned to eliminate duplicates Z: 69 49.986 2.152 0.795 0.587 0.926 0.691 CB 1.559 69 residues pruned to eliminate duplicates Z: 15 15.306 2.064 0.705 0.512 0.929 0.571 CB 1.237 15 residues pruned to eliminate duplicates Z: 44 48.716 2.202 1.023 0.641 0.907 0.721 CB 1.611 44 residues pruned to eliminate duplicates Z: 44 45.181 2.173 0.841 0.610 0.953 0.721 CB 1.627 44 residues pruned to eliminate duplicates Z: 84 74.938 2.213 0.949 0.703 0.976 0.687 CB 1.625 84 residues pruned to eliminate duplicates Z: 108 63.728 2.145 0.820 0.600 0.907 0.636 CB 1.582 108 residues pruned to eliminate duplicates Z: 44 46.541 2.196 0.927 0.634 0.907 0.721 CB 1.631 44 residues pruned to eliminate duplicates Z: 43 37.396 2.141 0.779 0.575 0.929 0.667 CB 1.518 43 residues pruned to eliminate duplicates Z: 58 46.590 2.161 0.833 0.567 0.930 0.561 CB 1.571 58 residues pruned to eliminate duplicates Z: 70 48.795 2.129 0.812 0.552 0.928 0.652 CB 1.560 70 residues pruned to eliminate duplicates Z: 52 39.836 2.110 0.851 0.525 0.882 0.588 CB 1.579 52 residues pruned to eliminate duplicates Z: 29 55.172 2.261 1.176 0.730 0.964 0.821 CB 1.786 29 residues pruned to eliminate duplicates Z: 53 45.429 2.159 0.856 0.580 0.942 0.635 CB 1.545 53 residues pruned to eliminate duplicates Z: 69 51.507 2.167 0.895 0.527 0.941 0.706 CB 1.573 69 residues pruned to eliminate duplicates Z: 86 67.375 2.191 0.868 0.683 0.953 0.741 CB 1.584 86 residues pruned to eliminate duplicates Z: 56 43.569 2.153 0.851 0.536 0.873 0.655 CB 1.631 56 residues pruned to eliminate duplicates Z: 27 56.464 2.300 1.205 0.768 0.962 0.885 CB 1.790 27 residues pruned to eliminate duplicates Z: 45 45.169 2.161 0.911 0.596 0.932 0.682 CB 1.615 45 residues pruned to eliminate duplicates Z: 48 43.589 2.138 0.771 0.608 0.957 0.723 CB 1.582 48 residues pruned to eliminate duplicates Z: 28 52.023 2.244 1.157 0.752 0.963 0.667 CB 1.716 28 residues pruned to eliminate duplicates Z: 56 47.242 2.185 0.891 0.555 0.945 0.636 CB 1.545 56 residues pruned to eliminate duplicates Z: 28 54.886 2.272 1.228 0.705 0.963 0.704 CB 1.800 28 residues pruned to eliminate duplicates Z: 43 48.772 2.191 0.963 0.634 0.952 0.762 CB 1.621 43 residues pruned to eliminate duplicates Z: 81 62.012 2.163 0.941 0.630 0.938 0.637 CB 1.560 81 residues pruned to eliminate duplicates Z: 55 50.151 2.171 0.868 0.565 0.981 0.704 CB 1.610 55 residues pruned to eliminate duplicates Z: 47 50.773 2.166 1.005 0.629 0.957 0.630 CB 1.596 47 residues pruned to eliminate duplicates Z: 27 54.039 2.266 1.254 0.716 0.962 0.731 CB 1.774 27 residues pruned to eliminate duplicates Z: 44 46.504 2.158 0.987 0.616 0.930 0.651 CB 1.593 44 residues pruned to eliminate duplicates Z: 85 69.179 2.191 0.864 0.685 0.976 0.655 CB 1.597 85 residues pruned to eliminate duplicates Z: 29 52.686 2.262 1.164 0.730 0.964 0.750 CB 1.715 29 residues pruned to eliminate duplicates Z: 45 42.176 2.177 0.893 0.594 0.909 0.568 CB 1.551 45 residues pruned to eliminate duplicates Z: 33 43.953 2.159 0.993 0.661 0.969 0.594 CB 1.606 33 residues pruned to eliminate duplicates Z: 71 50.821 2.134 0.848 0.550 0.943 0.586 CB 1.557 71 residues pruned to eliminate duplicates Z: 64 45.255 2.139 0.923 0.520 0.905 0.540 CB 1.501 64 residues pruned to eliminate duplicates Z: 43 52.577 2.226 0.894 0.682 1.000 0.738 CB 1.628 43 residues pruned to eliminate duplicates Z: 28 22.333 1.992 0.640 0.426 0.963 0.481 CB 1.475 28 residues pruned to eliminate duplicates Z: 60 46.984 2.118 0.840 0.546 0.983 0.610 CB 1.526 60 residues pruned to eliminate duplicates Z: 51 44.738 2.149 0.914 0.555 0.940 0.640 CB 1.551 51 residues pruned to eliminate duplicates Z: 132 73.062 2.148 0.854 0.624 0.954 0.679 CB 1.494 132 residues pruned to eliminate duplicates Z: 33 25.536 2.016 0.649 0.513 0.969 0.656 CB 1.385 33 residues pruned to eliminate duplicates Z: 108 72.014 2.197 0.833 0.640 0.972 0.617 CB 1.560 108 residues pruned to eliminate duplicates Z: 68 47.376 2.147 0.781 0.562 0.925 0.582 CB 1.541 68 residues pruned to eliminate duplicates Z: 49 46.314 2.139 0.916 0.611 0.938 0.688 CB 1.566 49 residues pruned to eliminate duplicates Z: 69 48.586 2.157 0.843 0.555 0.912 0.588 CB 1.540 69 residues pruned to eliminate duplicates Z: 79 52.408 2.148 0.909 0.571 0.936 0.679 CB 1.443 79 residues pruned to eliminate duplicates Z: 72 59.756 2.189 0.886 0.603 0.944 0.732 CB 1.649 72 residues pruned to eliminate duplicates Z: 28 19.998 2.024 0.571 0.424 0.889 0.481 CB 1.473 28 residues pruned to eliminate duplicates Z: 31 21.524 1.999 0.673 0.431 0.933 0.467 CB 1.352 31 residues pruned to eliminate duplicates Z: 27 26.274 2.087 0.820 0.507 0.962 0.654 CB 1.400 27 residues pruned to eliminate duplicates Z: 27 23.231 2.062 0.669 0.509 0.923 0.654 CB 1.421 27 residues pruned to eliminate duplicates Z: 26 26.778 2.113 0.733 0.513 1.000 0.720 CB 1.444 26 residues pruned to eliminate duplicates Z: 26 23.757 2.090 0.680 0.519 0.920 0.640 CB 1.444 26 residues pruned to eliminate duplicates Z: 56 51.154 2.137 1.070 0.569 0.945 0.491 CB 1.543 56 residues pruned to eliminate duplicates Z: 55 51.970 2.172 1.030 0.610 0.926 0.704 CB 1.560 55 residues pruned to eliminate duplicates Z: 52 48.060 2.127 0.986 0.588 0.941 0.686 CB 1.555 52 residues pruned to eliminate duplicates Z: 55 57.782 2.191 1.053 0.636 0.963 0.648 CB 1.598 55 residues pruned to eliminate duplicates Z: 27 27.776 2.092 0.844 0.549 0.962 0.615 CB 1.401 27 residues pruned to eliminate duplicates Z: 8 12.010 1.997 1.163 0.393 0.857 0.429 CA 1.374 8 residues pruned to eliminate duplicates Z: 68 43.720 2.108 0.718 0.587 0.925 0.657 CB 1.466 68 residues pruned to eliminate duplicates Z: 33 26.723 2.006 0.804 0.547 0.938 0.656 CB 1.331 33 residues pruned to eliminate duplicates Z: 66 47.414 2.130 0.812 0.610 0.938 0.692 CB 1.463 66 residues pruned to eliminate duplicates Z: 88 63.874 2.186 0.893 0.636 0.954 0.713 CB 1.528 88 residues pruned to eliminate duplicates Z: 18 18.692 2.090 0.791 0.505 0.941 0.765 CB 1.280 18 residues pruned to eliminate duplicates Z: 78 50.787 2.121 0.815 0.671 0.948 0.662 CB 1.354 78 residues pruned to eliminate duplicates Z: 41 41.419 2.197 0.805 0.633 0.950 0.775 CB 1.534 41 residues pruned to eliminate duplicates Z: 42 40.257 2.168 0.786 0.619 0.951 0.732 CB 1.525 42 residues pruned to eliminate duplicates Z: 43 34.426 2.093 0.762 0.563 0.929 0.690 CB 1.460 43 residues pruned to eliminate duplicates Z: 16 18.571 2.091 0.831 0.479 0.933 0.667 CB 1.370 16 residues pruned to eliminate duplicates Z: 80 52.782 2.126 0.827 0.700 0.911 0.722 CB 1.398 80 residues pruned to eliminate duplicates Z: 53 39.393 2.091 0.791 0.704 0.942 0.712 CB 1.286 53 residues pruned to eliminate duplicates Z: 39 38.257 2.170 0.682 0.676 0.974 0.737 CB 1.485 39 residues pruned to eliminate duplicates Z: 77 52.288 2.114 0.818 0.681 0.947 0.724 CB 1.395 77 residues pruned to eliminate duplicates Z: 42 38.986 2.173 0.717 0.639 0.951 0.707 CB 1.506 42 residues pruned to eliminate duplicates Z: 42 39.126 2.162 0.867 0.625 0.902 0.634 CB 1.491 42 residues pruned to eliminate duplicates Z: 45 34.941 2.139 0.763 0.604 0.932 0.614 CB 1.358 45 residues pruned to eliminate duplicates Z: 41 40.288 2.187 0.808 0.629 0.950 0.725 CB 1.502 41 residues pruned to eliminate duplicates Z: 40 43.478 2.225 0.928 0.659 0.949 0.769 CB 1.476 40 residues pruned to eliminate duplicates Z: 28 38.175 2.149 0.903 0.703 1.000 0.852 CB 1.493 28 residues pruned to eliminate duplicates Z: 41 38.173 2.175 0.818 0.643 0.950 0.775 CB 1.406 41 residues pruned to eliminate duplicates Z: 27 40.320 2.141 0.909 0.744 1.000 0.885 CB 1.555 27 residues pruned to eliminate duplicates Z: 28 34.963 2.130 0.828 0.737 0.963 0.815 CB 1.451 28 residues pruned to eliminate duplicates Z: 29 32.494 2.107 0.720 0.708 0.964 0.821 CB 1.454 29 residues pruned to eliminate duplicates Z: 26 37.751 2.183 0.823 0.755 1.000 0.800 CB 1.512 26 residues pruned to eliminate duplicates Z: 42 38.737 2.156 0.837 0.647 0.927 0.756 CB 1.438 42 residues pruned to eliminate duplicates Z: 30 32.061 2.087 0.865 0.675 0.931 0.793 CB 1.398 30 residues pruned to eliminate duplicates Z: 41 40.715 2.143 0.951 0.619 0.925 0.725 CB 1.486 41 residues pruned to eliminate duplicates Z: 78 47.530 2.083 0.798 0.674 0.909 0.688 CB 1.356 78 residues pruned to eliminate duplicates Z: 51 38.411 2.123 0.896 0.642 0.860 0.740 CB 1.373 51 residues pruned to eliminate duplicates Z: 27 38.047 2.162 0.972 0.722 0.962 0.846 CB 1.490 27 residues pruned to eliminate duplicates Z: 42 40.371 2.178 0.861 0.625 0.927 0.707 CB 1.492 42 residues pruned to eliminate duplicates Z: 26 40.847 2.157 1.010 0.774 1.000 0.920 CB 1.478 26 residues pruned to eliminate duplicates Z: 41 43.197 2.218 0.892 0.636 0.950 0.775 CB 1.508 41 residues pruned to eliminate duplicates Z: 29 28.818 2.080 0.771 0.645 0.929 0.750 CB 1.391 29 residues pruned to eliminate duplicates Z: 51 41.271 2.137 0.848 0.645 0.900 0.700 CB 1.435 51 residues pruned to eliminate duplicates Z: 41 41.304 2.204 0.863 0.623 0.950 0.675 CB 1.491 41 residues pruned to eliminate duplicates Z: 42 41.941 2.173 1.054 0.608 0.951 0.634 CB 1.393 42 residues pruned to eliminate duplicates Z: 28 36.534 2.123 1.075 0.717 0.926 0.778 CB 1.416 28 residues pruned to eliminate duplicates 366 residues left after pruning, divided into chains as follows: A: 6 B: 40 C: 12 D: 104 E: 204 CC for partial structure against native data = 36.05 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.446, Connect. = 0.736 for dens.mod. cycle 1 = 0.300, Contrast = 0.506, Connect. = 0.755 for dens.mod. cycle 2 = 0.300, Contrast = 0.592, Connect. = 0.783 for dens.mod. cycle 3 = 0.300, Contrast = 0.595, Connect. = 0.784 for dens.mod. cycle 4 = 0.300, Contrast = 0.602, Connect. = 0.786 for dens.mod. cycle 5 = 0.300, Contrast = 0.604, Connect. = 0.787 for dens.mod. cycle 6 = 0.300, Contrast = 0.608, Connect. = 0.789 for dens.mod. cycle 7 = 0.300, Contrast = 0.610, Connect. = 0.790 for dens.mod. cycle 8 = 0.300, Contrast = 0.612, Connect. = 0.790 for dens.mod. cycle 9 = 0.300, Contrast = 0.612, Connect. = 0.791 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2368 peaks > 0.5 sigma used to seed fragment search Space for about 538 unique residues taking solvent into account 557 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 53 50.678 2.205 0.805 0.706 0.923 0.673 CB 1.587 B: 48 44.302 2.154 0.756 0.663 0.936 0.596 CB 1.570 49 residues pruned to eliminate duplicates C: 61 42.176 2.127 0.656 0.558 0.950 0.650 CB 1.538 D: 51 36.786 2.099 0.609 0.700 0.920 0.620 CB 1.395 E: 19 35.564 2.152 1.078 0.887 0.889 0.611 CB 1.521 F: 10 10.390 1.888 0.883 0.403 0.889 0.778 CB 1.213 G: 27 57.105 2.305 1.141 0.749 1.000 0.885 CB 1.818 27 residues pruned to eliminate duplicates H: 79 58.957 2.222 0.643 0.736 0.962 0.705 CB 1.538 10 residues pruned to eliminate duplicates I: 26 41.649 2.251 0.745 0.886 0.960 0.840 CB 1.594 J: 62 54.121 2.147 0.829 0.681 0.967 0.689 CB 1.545 48 residues pruned to eliminate duplicates K: 33 43.692 2.195 0.860 0.754 0.969 0.781 CB 1.557 33 residues pruned to eliminate duplicates L: 27 57.827 2.303 1.185 0.757 0.962 0.769 CB 1.864 27 residues pruned to eliminate duplicates M: 16 30.071 2.259 0.701 0.911 0.867 0.800 CB 1.653 18 residues pruned to eliminate duplicates N: 17 44.971 2.257 1.290 0.895 0.938 0.812 CB 1.664 17 residues pruned to eliminate duplicates O: 13 23.408 2.150 0.792 0.677 0.917 0.750 CB 1.626 13 residues pruned to eliminate duplicates P: 15 38.269 2.130 1.126 0.810 1.000 0.786 CB 1.725 15 residues pruned to eliminate duplicates Q: 17 33.150 2.200 0.733 0.903 1.000 0.875 CB 1.549 17 residues pruned to eliminate duplicates R: 18 18.561 1.986 0.881 0.564 0.824 0.647 CB 1.375 18 residues pruned to eliminate duplicates S: 52 40.272 2.062 0.714 0.708 0.961 0.725 CB 1.375 52 residues pruned to eliminate duplicates T: 44 44.875 2.169 0.842 0.604 0.953 0.791 CB 1.627 44 residues pruned to eliminate duplicates U: 41 41.270 2.154 0.728 0.822 0.875 0.650 CB 1.515 41 residues pruned to eliminate duplicates V: 26 37.718 2.226 0.762 0.893 0.960 0.680 CB 1.438 26 residues pruned to eliminate duplicates W: 43 38.351 2.115 0.651 0.765 0.929 0.643 CB 1.443 43 residues pruned to eliminate duplicates X: 16 18.887 2.036 0.825 0.467 0.933 0.667 CB 1.455 16 residues pruned to eliminate duplicates Y: 15 9.385 1.786 0.634 0.310 0.786 0.643 CA 1.350 15 residues pruned to eliminate duplicates Z: 29 53.472 2.246 1.093 0.737 0.964 0.786 CB 1.802 29 residues pruned to eliminate duplicates Z: 41 50.329 2.253 0.834 0.771 0.950 0.625 CB 1.595 41 residues pruned to eliminate duplicates Z: 43 36.366 2.111 0.687 0.605 0.952 0.667 CB 1.497 41 residues pruned to eliminate duplicates Z: 17 37.029 2.265 0.873 0.932 1.000 0.938 CB 1.524 17 residues pruned to eliminate duplicates Z: 28 42.434 2.208 0.660 0.876 1.000 0.852 CB 1.620 28 residues pruned to eliminate duplicates Z: 18 45.246 2.260 1.128 0.918 1.000 0.765 CB 1.610 18 residues pruned to eliminate duplicates Z: 17 36.435 2.172 1.084 0.915 1.000 0.688 CB 1.422 17 residues pruned to eliminate duplicates Z: 54 54.184 2.194 0.904 0.710 0.943 0.755 CB 1.561 54 residues pruned to eliminate duplicates Z: 18 32.195 2.078 0.842 0.834 1.000 0.882 CB 1.528 18 residues pruned to eliminate duplicates Z: 28 33.704 2.040 0.754 0.737 1.000 0.815 CB 1.466 28 residues pruned to eliminate duplicates Z: 28 42.505 2.097 1.046 0.879 0.963 0.778 CB 1.436 28 residues pruned to eliminate duplicates Z: 50 48.432 2.177 0.777 0.686 0.980 0.714 CB 1.539 50 residues pruned to eliminate duplicates Z: 11 13.672 2.015 1.014 0.539 0.800 0.600 CB 1.283 Z: 26 38.281 2.274 0.569 0.896 0.920 0.760 CB 1.672 26 residues pruned to eliminate duplicates Z: 27 37.772 2.198 0.681 0.883 0.923 0.577 CB 1.570 27 residues pruned to eliminate duplicates Z: 22 21.326 1.852 1.005 0.666 0.905 0.714 CB 1.189 11 residues pruned to eliminate duplicates Z: 21 24.469 2.022 0.932 0.839 0.850 0.450 CB 1.231 21 residues pruned to eliminate duplicates Z: 78 61.476 2.160 0.889 0.668 0.948 0.636 CB 1.550 81 residues pruned to eliminate duplicates Z: 19 33.556 2.069 1.138 0.881 1.000 0.667 CB 1.294 19 residues pruned to eliminate duplicates Z: 18 17.936 1.963 0.693 0.511 1.000 0.706 CB 1.295 18 residues pruned to eliminate duplicates Z: 26 36.839 2.196 0.639 0.885 0.960 0.720 CB 1.540 26 residues pruned to eliminate duplicates Z: 50 40.139 2.119 0.724 0.593 0.959 0.714 CB 1.497 50 residues pruned to eliminate duplicates Z: 109 69.299 2.147 0.890 0.616 0.972 0.630 CB 1.514 102 residues pruned to eliminate duplicates Z: 9 16.764 2.050 0.526 0.872 0.875 0.875 CB 1.578 Z: 26 35.667 2.214 0.579 0.898 0.920 0.680 CB 1.587 26 residues pruned to eliminate duplicates Z: 17 35.911 2.266 0.910 0.941 0.938 0.812 CB 1.535 17 residues pruned to eliminate duplicates Z: 28 33.135 2.190 0.528 0.854 0.926 0.593 CB 1.520 28 residues pruned to eliminate duplicates Z: 54 43.529 2.226 0.614 0.686 0.925 0.623 CB 1.518 54 residues pruned to eliminate duplicates Z: 10 14.598 2.079 0.484 0.736 0.889 0.778 CB 1.436 8 residues pruned to eliminate duplicates Z: 17 29.202 2.169 0.630 0.931 1.000 0.938 CB 1.443 17 residues pruned to eliminate duplicates Z: 19 38.494 2.131 1.277 0.884 1.000 0.722 CB 1.350 19 residues pruned to eliminate duplicates Z: 52 41.301 2.070 0.818 0.663 0.961 0.588 CB 1.375 51 residues pruned to eliminate duplicates Z: 17 19.236 1.769 0.510 0.894 1.000 0.875 CB 1.292 17 residues pruned to eliminate duplicates Z: 27 41.137 2.201 0.868 0.870 0.923 0.615 CB 1.552 27 residues pruned to eliminate duplicates Z: 24 32.820 2.073 0.614 0.881 1.000 0.826 CB 1.480 24 residues pruned to eliminate duplicates Z: 13 33.838 2.265 1.094 0.775 1.000 0.750 CB 1.615 13 residues pruned to eliminate duplicates Z: 41 38.827 2.179 0.823 0.656 0.925 0.675 CB 1.445 41 residues pruned to eliminate duplicates Z: 67 48.637 2.087 0.888 0.680 0.939 0.697 CB 1.370 68 residues pruned to eliminate duplicates Z: 28 36.721 2.190 0.638 0.847 0.926 0.630 CB 1.580 28 residues pruned to eliminate duplicates Z: 52 61.150 2.246 0.933 0.738 0.980 0.667 CB 1.625 52 residues pruned to eliminate duplicates Z: 51 40.238 2.080 0.712 0.709 0.940 0.660 CB 1.407 51 residues pruned to eliminate duplicates Z: 11 19.742 2.002 0.788 0.857 0.800 0.600 CA 1.607 11 residues pruned to eliminate duplicates Z: 21 17.959 1.985 0.746 0.572 0.850 0.550 CB 1.271 21 residues pruned to eliminate duplicates Z: 28 48.085 2.138 0.893 0.890 1.000 0.778 CB 1.644 28 residues pruned to eliminate duplicates Z: 41 52.718 2.241 0.891 0.793 0.950 0.675 CB 1.601 41 residues pruned to eliminate duplicates Z: 105 67.971 2.149 0.867 0.701 0.952 0.702 CB 1.453 105 residues pruned to eliminate duplicates Z: 10 16.422 2.107 0.508 0.857 1.000 0.889 CB 1.270 10 residues pruned to eliminate duplicates Z: 29 44.376 2.259 0.822 0.746 0.964 0.786 CB 1.696 17 residues pruned to eliminate duplicates Z: 17 30.877 2.201 0.551 0.912 1.000 0.938 CB 1.601 17 residues pruned to eliminate duplicates Z: 26 47.909 2.244 0.853 0.913 1.000 0.800 CB 1.631 26 residues pruned to eliminate duplicates Z: 16 21.040 1.895 0.735 0.855 0.933 0.933 CB 1.307 16 residues pruned to eliminate duplicates Z: 28 34.764 2.155 0.602 0.867 0.926 0.481 CB 1.530 28 residues pruned to eliminate duplicates Z: 28 23.357 2.055 0.802 0.583 0.926 0.630 CB 1.210 29 residues pruned to eliminate duplicates Z: 11 26.630 2.193 0.833 0.866 1.000 0.900 CB 1.534 11 residues pruned to eliminate duplicates Z: 28 38.793 2.116 0.860 0.871 0.963 0.741 CB 1.437 28 residues pruned to eliminate duplicates Z: 24 38.956 2.147 0.930 0.782 1.000 0.826 CB 1.529 24 residues pruned to eliminate duplicates Z: 33 26.983 1.993 1.041 0.488 0.844 0.594 CB 1.407 33 residues pruned to eliminate duplicates Z: 19 32.154 2.102 0.986 0.881 1.000 0.833 CB 1.315 19 residues pruned to eliminate duplicates Z: 23 20.315 2.127 0.734 0.496 0.818 0.636 CB 1.441 23 residues pruned to eliminate duplicates Z: 16 25.217 1.868 0.711 0.930 1.000 0.867 CB 1.425 16 residues pruned to eliminate duplicates Z: 30 47.486 2.244 0.971 0.737 1.000 0.793 CB 1.612 29 residues pruned to eliminate duplicates Z: 39 35.278 2.131 0.667 0.785 0.921 0.684 CB 1.361 39 residues pruned to eliminate duplicates Z: 18 38.621 2.268 0.860 0.922 1.000 0.706 CB 1.561 18 residues pruned to eliminate duplicates Z: 65 50.639 2.089 0.930 0.676 0.906 0.672 CB 1.473 65 residues pruned to eliminate duplicates Z: 12 16.148 1.858 0.530 0.898 0.909 0.545 CB 1.347 12 residues pruned to eliminate duplicates Z: 17 34.211 2.177 0.767 0.918 1.000 0.562 CB 1.568 17 residues pruned to eliminate duplicates Z: 11 22.253 1.977 1.013 0.851 1.000 0.700 CB 1.309 11 residues pruned to eliminate duplicates Z: 11 20.589 2.084 0.743 0.827 1.000 0.800 CB 1.351 11 residues pruned to eliminate duplicates Z: 54 57.093 2.197 0.947 0.716 0.962 0.755 CB 1.568 54 residues pruned to eliminate duplicates Z: 17 40.423 2.216 1.117 0.880 1.000 0.750 CB 1.561 17 residues pruned to eliminate duplicates Z: 51 52.655 2.216 0.838 0.723 0.940 0.600 CB 1.589 51 residues pruned to eliminate duplicates Z: 10 17.887 2.083 0.420 0.843 1.000 0.778 CB 1.501 10 residues pruned to eliminate duplicates Z: 27 38.475 2.139 0.780 0.882 0.962 0.769 CB 1.491 27 residues pruned to eliminate duplicates Z: 9 8.203 1.794 0.585 0.501 0.875 0.500 CB 1.165 Z: 16 23.556 2.250 0.757 0.518 1.000 0.733 CB 1.511 16 residues pruned to eliminate duplicates Z: 27 54.025 2.171 1.142 0.910 1.000 0.731 CB 1.615 27 residues pruned to eliminate duplicates Z: 28 38.704 2.173 0.629 0.869 1.000 0.667 CB 1.538 28 residues pruned to eliminate duplicates Z: 10 19.364 2.164 0.609 0.846 0.889 0.889 CB 1.550 10 residues pruned to eliminate duplicates Z: 51 43.203 2.108 0.801 0.698 0.960 0.620 CB 1.400 51 residues pruned to eliminate duplicates Z: 43 37.550 2.150 0.757 0.603 0.929 0.667 CB 1.498 43 residues pruned to eliminate duplicates Z: 46 37.659 2.156 0.712 0.601 0.911 0.711 CB 1.517 46 residues pruned to eliminate duplicates Z: 27 43.922 2.176 0.807 0.880 1.000 0.577 CB 1.587 27 residues pruned to eliminate duplicates Z: 28 45.031 2.184 0.867 0.860 1.000 0.704 CB 1.562 28 residues pruned to eliminate duplicates Z: 28 29.009 2.088 0.477 0.886 0.889 0.519 CB 1.469 28 residues pruned to eliminate duplicates Z: 25 24.053 1.979 0.511 0.876 1.000 0.583 CB 1.193 25 residues pruned to eliminate duplicates Z: 26 51.845 2.266 0.997 0.910 1.000 0.760 CB 1.625 26 residues pruned to eliminate duplicates Z: 27 44.325 2.168 1.078 0.742 1.000 0.769 CB 1.554 29 residues pruned to eliminate duplicates Z: 26 26.760 2.047 0.663 0.879 0.920 0.680 CB 1.239 26 residues pruned to eliminate duplicates Z: 28 33.215 2.121 0.590 0.865 0.926 0.704 CB 1.500 28 residues pruned to eliminate duplicates Z: 14 29.691 2.144 1.145 0.725 0.923 0.692 CB 1.583 14 residues pruned to eliminate duplicates Z: 46 44.562 2.179 0.930 0.607 0.933 0.689 CB 1.529 46 residues pruned to eliminate duplicates Z: 14 12.549 1.989 0.694 0.453 0.846 0.462 CB 1.281 14 residues pruned to eliminate duplicates Z: 26 38.171 2.235 0.687 0.919 0.920 0.400 CB 1.551 26 residues pruned to eliminate duplicates Z: 29 47.642 2.158 1.022 0.694 1.000 0.821 CB 1.728 29 residues pruned to eliminate duplicates Z: 12 11.971 2.095 0.172 0.520 0.909 0.636 CB 1.586 12 residues pruned to eliminate duplicates Z: 16 20.146 1.867 0.648 0.907 1.000 0.867 CB 1.202 16 residues pruned to eliminate duplicates Z: 49 41.227 2.170 0.787 0.725 0.917 0.688 CB 1.367 49 residues pruned to eliminate duplicates Z: 37 40.719 2.059 0.878 0.683 0.972 0.722 CB 1.527 37 residues pruned to eliminate duplicates Z: 41 39.223 2.099 0.907 0.615 0.925 0.675 CB 1.502 41 residues pruned to eliminate duplicates Z: 13 34.864 2.284 0.805 0.939 1.000 0.833 CB 1.696 13 residues pruned to eliminate duplicates Z: 10 19.647 2.139 0.512 0.890 0.889 0.889 CA 1.638 10 residues pruned to eliminate duplicates Z: 84 74.989 2.216 0.956 0.682 0.976 0.735 CB 1.646 84 residues pruned to eliminate duplicates Z: 14 27.740 2.095 0.972 0.783 0.923 0.923 CB 1.573 14 residues pruned to eliminate duplicates Z: 14 20.709 2.076 0.981 0.558 0.923 0.692 CB 1.431 14 residues pruned to eliminate duplicates Z: 27 23.190 2.081 0.623 0.550 0.885 0.692 CB 1.450 26 residues pruned to eliminate duplicates Z: 14 13.802 2.022 0.565 0.446 0.923 0.538 CB 1.385 14 residues pruned to eliminate duplicates Z: 22 22.539 2.178 0.361 0.851 0.810 0.571 CB 1.517 22 residues pruned to eliminate duplicates Z: 19 32.184 2.093 0.864 0.895 1.000 0.667 CB 1.394 19 residues pruned to eliminate duplicates Z: 26 43.077 2.241 0.706 0.907 1.000 0.720 CB 1.602 26 residues pruned to eliminate duplicates Z: 26 47.193 2.219 0.926 0.931 0.960 0.680 CB 1.607 26 residues pruned to eliminate duplicates Z: 17 32.185 2.278 0.671 0.918 0.938 0.875 CB 1.590 17 residues pruned to eliminate duplicates Z: 75 55.069 2.170 0.755 0.651 0.946 0.635 CB 1.543 75 residues pruned to eliminate duplicates Z: 12 20.035 2.124 0.615 0.707 1.000 0.909 CB 1.460 12 residues pruned to eliminate duplicates Z: 40 44.952 2.216 0.738 0.789 0.923 0.692 CB 1.571 40 residues pruned to eliminate duplicates Z: 26 35.990 2.254 0.587 0.894 0.920 0.680 CB 1.570 26 residues pruned to eliminate duplicates Z: 27 38.057 2.180 0.758 0.879 0.923 0.500 CB 1.530 27 residues pruned to eliminate duplicates Z: 17 37.848 2.226 0.883 0.923 1.000 0.875 CB 1.587 17 residues pruned to eliminate duplicates Z: 9 20.632 2.090 0.751 0.714 1.000 0.875 CA 1.643 9 residues pruned to eliminate duplicates Z: 82 62.240 2.178 0.855 0.692 0.914 0.667 CB 1.572 81 residues pruned to eliminate duplicates Z: 26 29.791 2.065 0.735 0.881 0.960 0.640 CB 1.254 26 residues pruned to eliminate duplicates Z: 16 41.851 2.276 1.120 0.911 0.933 0.800 CB 1.701 16 residues pruned to eliminate duplicates Z: 27 46.825 2.184 0.943 0.880 1.000 0.731 CB 1.569 27 residues pruned to eliminate duplicates Z: 56 43.940 2.209 0.628 0.697 0.927 0.709 CB 1.484 53 residues pruned to eliminate duplicates Z: 26 25.194 1.990 0.748 0.857 0.880 0.600 CB 1.213 26 residues pruned to eliminate duplicates Z: 102 65.364 2.163 0.957 0.612 0.911 0.594 CB 1.517 102 residues pruned to eliminate duplicates Z: 20 41.962 2.124 1.106 0.867 0.947 0.579 CB 1.662 18 residues pruned to eliminate duplicates Z: 54 53.602 2.183 0.819 0.711 0.962 0.717 CB 1.591 54 residues pruned to eliminate duplicates Z: 8 7.494 1.959 0.735 0.419 0.857 0.714 CB 1.057 8 residues pruned to eliminate duplicates Z: 42 49.335 2.211 0.822 0.736 0.951 0.610 CB 1.627 42 residues pruned to eliminate duplicates Z: 17 29.501 2.215 0.768 0.907 0.875 0.625 CB 1.530 17 residues pruned to eliminate duplicates Z: 26 24.571 2.049 0.573 0.859 0.880 0.800 CB 1.274 26 residues pruned to eliminate duplicates Z: 27 32.782 2.131 0.527 0.889 0.962 0.654 CB 1.480 27 residues pruned to eliminate duplicates Z: 9 12.080 2.063 0.419 0.745 0.875 0.500 CB 1.340 9 residues pruned to eliminate duplicates Z: 39 35.579 2.142 0.592 0.779 0.947 0.711 CB 1.397 39 residues pruned to eliminate duplicates Z: 19 39.315 2.148 1.237 0.877 0.944 0.833 CB 1.483 19 residues pruned to eliminate duplicates Z: 27 24.175 2.001 0.498 0.839 0.962 0.692 CB 1.229 27 residues pruned to eliminate duplicates Z: 26 41.957 2.273 0.613 0.919 1.000 0.640 CB 1.613 26 residues pruned to eliminate duplicates Z: 17 43.073 2.254 1.195 0.923 0.938 0.500 CB 1.631 17 residues pruned to eliminate duplicates Z: 26 41.368 2.305 0.551 0.904 1.000 0.680 CB 1.648 26 residues pruned to eliminate duplicates Z: 46 47.438 2.160 0.804 0.628 1.000 0.733 CB 1.609 46 residues pruned to eliminate duplicates Z: 27 34.064 2.178 0.571 0.916 0.962 0.731 CB 1.434 27 residues pruned to eliminate duplicates Z: 12 26.483 1.947 1.219 0.867 0.909 0.636 CB 1.487 12 residues pruned to eliminate duplicates Z: 14 9.223 1.900 0.472 0.385 0.846 0.538 CB 1.221 14 residues pruned to eliminate duplicates Z: 17 34.100 2.256 0.537 0.904 1.000 0.812 CB 1.751 17 residues pruned to eliminate duplicates Z: 35 31.749 2.087 0.593 0.728 0.941 0.676 CB 1.417 35 residues pruned to eliminate duplicates Z: 29 38.707 2.139 0.823 0.831 0.929 0.571 CB 1.517 29 residues pruned to eliminate duplicates Z: 13 19.965 1.939 1.054 0.684 0.917 0.750 CB 1.334 11 residues pruned to eliminate duplicates Z: 17 20.514 1.813 0.590 0.911 1.000 0.875 CB 1.260 17 residues pruned to eliminate duplicates Z: 26 26.623 2.044 0.498 0.881 1.000 0.680 CB 1.259 26 residues pruned to eliminate duplicates Z: 14 11.072 1.866 0.545 0.482 1.000 0.462 CB 1.085 Z: 6 6.844 1.866 -0.017 0.841 1.000 1.000 CB 1.245 Z: 28 30.549 2.107 0.634 0.842 0.852 0.704 CB 1.495 28 residues pruned to eliminate duplicates Z: 27 41.204 2.173 0.872 0.897 0.923 0.692 CB 1.541 27 residues pruned to eliminate duplicates Z: 43 52.409 2.147 0.904 0.773 0.976 0.643 CB 1.592 43 residues pruned to eliminate duplicates Z: 16 27.251 1.888 0.963 0.899 1.000 0.733 CB 1.358 16 residues pruned to eliminate duplicates Z: 25 25.124 2.057 0.622 0.868 0.833 0.750 CB 1.348 25 residues pruned to eliminate duplicates Z: 52 53.474 2.226 0.883 0.720 0.922 0.627 CB 1.589 53 residues pruned to eliminate duplicates Z: 18 31.221 2.155 0.752 0.917 0.941 0.824 CB 1.503 18 residues pruned to eliminate duplicates Z: 54 57.865 2.193 1.045 0.642 1.000 0.604 CB 1.553 43 residues pruned to eliminate duplicates Z: 26 38.401 2.178 0.863 0.915 0.920 0.440 CB 1.454 26 residues pruned to eliminate duplicates Z: 26 29.901 2.171 0.654 0.581 0.960 0.640 CB 1.605 26 residues pruned to eliminate duplicates Z: 11 25.435 1.991 1.198 0.852 1.000 0.900 CB 1.359 11 residues pruned to eliminate duplicates Z: 15 16.880 1.638 0.701 0.932 1.000 0.929 CB 1.131 14 residues pruned to eliminate duplicates Z: 10 11.675 2.143 0.286 0.746 0.889 0.667 CB 1.275 10 residues pruned to eliminate duplicates Z: 12 20.325 1.881 1.029 0.796 1.000 0.727 CB 1.240 12 residues pruned to eliminate duplicates Z: 13 10.795 1.786 0.387 0.763 0.917 0.500 CB 1.087 13 residues pruned to eliminate duplicates Z: 29 47.774 2.260 0.930 0.746 1.000 0.786 CB 1.661 29 residues pruned to eliminate duplicates Z: 32 38.746 2.207 0.791 0.710 0.935 0.839 CB 1.556 32 residues pruned to eliminate duplicates Z: 40 26.870 2.035 0.431 0.693 0.974 0.564 CB 1.271 40 residues pruned to eliminate duplicates Z: 55 53.878 2.177 1.024 0.605 0.981 0.630 CB 1.534 55 residues pruned to eliminate duplicates Z: 27 27.983 1.971 0.635 0.838 0.962 0.654 CB 1.323 27 residues pruned to eliminate duplicates Z: 27 41.310 2.155 0.761 0.891 0.962 0.731 CB 1.596 27 residues pruned to eliminate duplicates Z: 15 4.423 1.531 0.055 0.251 0.857 0.357 CB 1.137 15 residues pruned to eliminate duplicates Z: 29 45.177 2.260 0.870 0.778 0.964 0.821 CB 1.639 29 residues pruned to eliminate duplicates Z: 16 14.625 1.945 0.581 0.491 0.867 0.600 CB 1.430 16 residues pruned to eliminate duplicates Z: 28 44.366 2.200 0.838 0.856 0.963 0.815 CB 1.616 28 residues pruned to eliminate duplicates Z: 27 39.081 2.205 0.606 0.859 0.962 0.538 CB 1.656 27 residues pruned to eliminate duplicates Z: 12 10.771 1.880 0.608 0.684 0.818 0.545 CB 1.109 12 residues pruned to eliminate duplicates Z: 30 40.752 2.198 0.773 0.738 0.966 0.828 CB 1.625 30 residues pruned to eliminate duplicates Z: 14 14.461 1.649 0.696 0.914 0.923 0.769 CB 1.098 14 residues pruned to eliminate duplicates Z: 51 42.581 2.102 0.794 0.714 0.960 0.580 CB 1.370 51 residues pruned to eliminate duplicates Z: 11 13.176 2.078 0.344 0.779 0.900 0.700 CA 1.296 11 residues pruned to eliminate duplicates Z: 25 35.238 1.976 0.760 0.878 1.000 0.875 CB 1.501 25 residues pruned to eliminate duplicates Z: 58 48.874 2.109 0.843 0.600 0.982 0.667 CB 1.542 58 residues pruned to eliminate duplicates Z: 11 13.906 2.046 0.425 0.773 1.000 0.800 CA 1.184 11 residues pruned to eliminate duplicates Z: 19 41.224 2.147 1.089 0.879 1.000 0.556 CB 1.571 19 residues pruned to eliminate duplicates Z: 11 19.072 2.039 0.586 0.799 0.900 0.900 CB 1.595 11 residues pruned to eliminate duplicates Z: 25 33.589 2.190 0.544 0.897 0.958 0.667 CB 1.514 25 residues pruned to eliminate duplicates Z: 16 13.474 1.869 0.708 0.482 0.867 0.733 CB 1.280 16 residues pruned to eliminate duplicates Z: 11 9.728 1.822 0.604 0.711 0.800 0.400 CB 1.086 11 residues pruned to eliminate duplicates Z: 28 41.016 2.163 0.818 0.871 0.963 0.741 CB 1.520 28 residues pruned to eliminate duplicates Z: 31 38.505 2.145 0.677 0.777 0.967 0.733 CB 1.584 31 residues pruned to eliminate duplicates Z: 10 13.251 2.121 0.202 0.781 1.000 0.778 CB 1.353 10 residues pruned to eliminate duplicates Z: 45 44.915 2.161 0.848 0.621 0.955 0.705 CB 1.585 45 residues pruned to eliminate duplicates Z: 27 39.531 2.169 0.811 0.851 0.962 0.692 CB 1.519 27 residues pruned to eliminate duplicates Z: 30 46.409 2.248 0.752 0.814 1.000 0.828 CB 1.665 30 residues pruned to eliminate duplicates Z: 43 51.469 2.213 0.866 0.723 0.952 0.762 CB 1.652 43 residues pruned to eliminate duplicates Z: 39 36.429 2.117 0.690 0.766 0.947 0.737 CB 1.377 39 residues pruned to eliminate duplicates Z: 18 32.237 2.153 0.712 0.910 1.000 0.765 CB 1.504 18 residues pruned to eliminate duplicates Z: 10 3.925 1.689 0.185 0.313 0.667 0.667 CB 1.205 Z: 25 24.484 2.044 0.535 0.870 0.917 0.667 CB 1.269 25 residues pruned to eliminate duplicates Z: 28 36.742 2.193 0.695 0.847 0.889 0.481 CB 1.589 28 residues pruned to eliminate duplicates Z: 15 27.075 1.934 0.939 0.894 1.000 0.857 CB 1.384 15 residues pruned to eliminate duplicates Z: 14 15.851 1.637 0.802 0.904 1.000 0.923 CB 1.061 14 residues pruned to eliminate duplicates Z: 8 5.748 1.654 0.249 0.542 0.857 0.429 CB 1.177 Z: 26 31.063 2.076 0.589 0.853 0.920 0.720 CB 1.514 26 residues pruned to eliminate duplicates Z: 17 27.108 2.186 0.776 0.932 0.938 0.438 CB 1.300 17 residues pruned to eliminate duplicates Z: 10 14.945 1.970 0.408 0.716 1.000 0.556 CB 1.476 10 residues pruned to eliminate duplicates Z: 11 15.205 2.069 0.407 0.741 1.000 0.900 CB 1.330 11 residues pruned to eliminate duplicates Z: 17 14.694 1.729 0.167 0.893 1.000 0.938 CB 1.307 17 residues pruned to eliminate duplicates Z: 10 14.789 1.951 0.345 0.758 1.000 0.667 CB 1.494 10 residues pruned to eliminate duplicates Z: 43 46.042 2.167 0.819 0.765 0.929 0.762 CB 1.534 43 residues pruned to eliminate duplicates Z: 25 26.503 2.113 0.361 0.894 0.958 0.667 CB 1.408 25 residues pruned to eliminate duplicates Z: 28 30.568 2.087 0.662 0.855 0.852 0.222 CB 1.470 28 residues pruned to eliminate duplicates Z: 27 46.772 2.229 0.818 0.900 0.962 0.577 CB 1.683 27 residues pruned to eliminate duplicates Z: 10 6.906 1.714 0.072 0.531 0.889 0.667 CB 1.367 Z: 23 15.365 1.974 0.534 0.513 0.864 0.545 CB 1.237 37 residues pruned to eliminate duplicates Z: 51 38.209 2.095 0.629 0.724 0.960 0.600 CB 1.348 51 residues pruned to eliminate duplicates Z: 17 31.951 2.105 0.814 0.928 0.938 0.500 CB 1.562 17 residues pruned to eliminate duplicates Z: 17 39.424 2.210 1.151 0.923 1.000 0.688 CB 1.457 17 residues pruned to eliminate duplicates Z: 17 19.392 1.814 0.839 0.862 0.938 0.875 CB 1.138 17 residues pruned to eliminate duplicates Z: 20 15.097 1.756 0.773 0.574 0.895 0.737 CB 1.157 20 residues pruned to eliminate duplicates Z: 9 4.852 1.673 -0.186 0.729 0.875 0.875 CB 1.171 Z: 42 42.387 2.159 0.748 0.768 0.902 0.585 CB 1.532 42 residues pruned to eliminate duplicates Z: 12 21.996 1.910 0.874 0.851 0.909 0.818 CB 1.509 12 residues pruned to eliminate duplicates Z: 12 10.568 2.012 0.534 0.513 0.909 0.636 CB 1.122 Z: 17 7.264 1.710 0.475 0.454 0.688 0.625 N 1.098 7 residues pruned to eliminate duplicates Z: 14 8.058 2.120 0.320 0.343 0.769 0.385 CB 1.232 14 residues pruned to eliminate duplicates Z: 15 10.511 1.769 0.505 0.382 0.786 0.500 N 1.522 25 residues pruned to eliminate duplicates Z: 8 5.313 1.761 0.591 0.455 0.714 0.571 CB 1.051 8 residues pruned to eliminate duplicates Z: 27 44.043 2.218 0.750 0.889 1.000 0.769 CB 1.602 27 residues pruned to eliminate duplicates Z: 28 39.404 2.111 0.768 0.909 0.963 0.815 CB 1.498 28 residues pruned to eliminate duplicates Z: 27 29.447 1.969 0.660 0.858 1.000 0.615 CB 1.301 27 residues pruned to eliminate duplicates Z: 13 3.718 1.693 0.250 0.274 0.667 0.333 CB 0.983 Z: 6 2.434 1.436 0.449 0.341 1.000 0.400 CB 0.622 Z: 14 5.481 1.663 0.480 0.290 0.769 0.462 CB 1.015 9 residues pruned to eliminate duplicates Z: 41 49.555 2.163 0.934 0.767 0.925 0.575 CB 1.599 41 residues pruned to eliminate duplicates Z: 21 19.488 1.917 0.322 0.871 0.950 0.800 CB 1.320 21 residues pruned to eliminate duplicates Z: 26 25.073 2.021 0.465 0.881 1.000 0.640 CB 1.227 26 residues pruned to eliminate duplicates Z: 38 32.790 2.123 0.766 0.571 0.946 0.649 CB 1.420 38 residues pruned to eliminate duplicates Z: 16 5.138 1.625 0.212 0.257 0.867 0.400 CB 1.027 16 residues pruned to eliminate duplicates Z: 19 11.600 1.914 0.514 0.459 0.833 0.722 CB 1.182 31 residues pruned to eliminate duplicates Z: 14 18.360 1.851 0.559 0.739 1.000 0.692 CA 1.425 14 residues pruned to eliminate duplicates Z: 13 16.084 1.996 1.002 0.591 0.917 0.750 CB 1.161 Z: 42 55.160 2.213 0.892 0.800 0.976 0.732 CB 1.623 42 residues pruned to eliminate duplicates Z: 54 45.198 2.121 0.936 0.577 0.962 0.642 CB 1.459 54 residues pruned to eliminate duplicates Z: 38 45.935 2.188 0.826 0.718 0.973 0.757 CB 1.594 38 residues pruned to eliminate duplicates Z: 27 41.995 2.117 0.983 0.860 1.000 0.692 CB 1.443 27 residues pruned to eliminate duplicates Z: 26 23.901 2.034 0.508 0.837 0.960 0.760 CB 1.215 26 residues pruned to eliminate duplicates Z: 13 33.412 2.192 0.991 0.814 1.000 0.917 CB 1.682 26 residues pruned to eliminate duplicates Z: 17 21.637 1.959 0.843 0.565 1.000 0.750 CA 1.408 17 residues pruned to eliminate duplicates Z: 9 16.499 2.104 0.564 0.717 1.000 0.625 CB 1.457 9 residues pruned to eliminate duplicates Z: 25 12.773 1.896 0.315 0.439 0.875 0.500 CB 1.273 25 residues pruned to eliminate duplicates Z: 47 49.536 2.151 0.981 0.676 0.935 0.630 CB 1.559 47 residues pruned to eliminate duplicates Z: 22 18.804 1.877 0.609 0.568 0.952 0.714 CB 1.337 22 residues pruned to eliminate duplicates Z: 12 11.650 1.895 0.278 0.784 0.909 0.636 CB 1.243 12 residues pruned to eliminate duplicates Z: 42 35.170 2.100 0.767 0.605 0.927 0.732 CB 1.445 42 residues pruned to eliminate duplicates Z: 28 33.313 2.156 0.572 0.866 0.926 0.556 CB 1.495 28 residues pruned to eliminate duplicates Z: 13 15.532 1.959 0.660 0.868 0.917 0.250 CB 1.099 13 residues pruned to eliminate duplicates Z: 63 52.564 2.122 0.872 0.716 0.952 0.661 CB 1.453 63 residues pruned to eliminate duplicates Z: 7 3.535 1.903 -0.433 0.601 1.000 0.500 CB 1.215 7 residues pruned to eliminate duplicates Z: 9 17.156 1.966 0.624 0.840 0.875 0.750 O 1.620 9 residues pruned to eliminate duplicates Z: 32 47.468 2.150 0.913 0.740 1.000 0.742 CB 1.672 32 residues pruned to eliminate duplicates Z: 11 7.316 1.754 0.473 0.526 0.800 0.200 CB 1.091 11 residues pruned to eliminate duplicates Z: 39 36.967 2.124 0.663 0.796 0.947 0.711 CB 1.383 39 residues pruned to eliminate duplicates Z: 27 49.841 2.217 0.913 0.889 1.000 0.769 CB 1.659 27 residues pruned to eliminate duplicates Z: 6 4.265 1.770 0.494 0.469 0.800 0.600 CB 0.931 Z: 27 23.755 1.785 0.841 0.719 0.962 0.808 CB 1.209 24 residues pruned to eliminate duplicates Z: 30 48.886 2.249 1.003 0.706 1.000 0.828 CB 1.671 30 residues pruned to eliminate duplicates Z: 51 39.246 2.053 0.780 0.730 0.960 0.680 CB 1.286 51 residues pruned to eliminate duplicates Z: 14 13.457 1.773 0.762 0.563 0.923 0.692 CB 1.218 9 residues pruned to eliminate duplicates Z: 17 30.172 2.140 1.038 0.875 0.938 0.375 CB 1.342 17 residues pruned to eliminate duplicates Z: 24 21.651 1.802 0.667 0.648 0.957 0.696 CB 1.369 22 residues pruned to eliminate duplicates Z: 11 16.436 2.040 0.633 0.784 0.900 0.500 CB 1.350 11 residues pruned to eliminate duplicates Z: 16 24.847 1.841 0.911 0.936 1.000 0.667 CB 1.270 17 residues pruned to eliminate duplicates Z: 16 34.228 2.130 1.007 0.893 0.933 0.933 CB 1.590 16 residues pruned to eliminate duplicates Z: 25 24.432 2.024 0.490 0.840 0.958 0.542 CB 1.288 25 residues pruned to eliminate duplicates 6 1.254 1.750 -0.442 0.308 0.800 0.600 CB 0.889 ? Z: 27 43.071 2.120 0.869 0.899 1.000 0.731 CB 1.523 27 residues pruned to eliminate duplicates Z: 27 37.519 2.150 0.652 0.893 1.000 0.500 CB 1.487 27 residues pruned to eliminate duplicates Z: 13 15.571 1.663 0.702 0.932 1.000 1.000 CB 1.109 13 residues pruned to eliminate duplicates Z: 27 42.352 2.120 0.888 0.895 1.000 0.846 CB 1.487 27 residues pruned to eliminate duplicates Z: 11 14.018 2.015 0.332 0.770 0.900 0.500 CB 1.445 11 residues pruned to eliminate duplicates Z: 8 3.466 1.372 0.576 0.341 0.714 0.429 CB 1.009 Z: 53 55.589 2.180 0.900 0.729 0.942 0.692 CB 1.607 53 residues pruned to eliminate duplicates Z: 9 8.913 1.762 0.951 0.473 0.750 0.500 N 1.256 12 residues pruned to eliminate duplicates Z: 10 17.744 2.131 0.516 0.770 1.000 0.889 CB 1.442 10 residues pruned to eliminate duplicates Z: 39 30.025 2.102 0.439 0.719 0.947 0.711 CB 1.393 39 residues pruned to eliminate duplicates Z: 26 17.042 1.920 0.502 0.513 0.920 0.640 CB 1.268 26 residues pruned to eliminate duplicates Z: 25 22.488 2.008 0.440 0.858 0.917 0.667 CB 1.276 25 residues pruned to eliminate duplicates Z: 27 26.851 1.948 0.677 0.858 0.962 0.577 CB 1.235 27 residues pruned to eliminate duplicates Z: 16 29.964 2.185 0.775 0.915 1.000 0.933 CB 1.410 16 residues pruned to eliminate duplicates Z: 65 51.089 2.099 0.901 0.602 0.953 0.625 CB 1.524 113 residues pruned to eliminate duplicates Z: 29 42.724 2.256 0.776 0.717 1.000 0.857 CB 1.656 29 residues pruned to eliminate duplicates Z: 10 9.075 1.984 0.279 0.694 0.778 0.556 CB 1.283 10 residues pruned to eliminate duplicates Z: 11 12.832 1.974 0.899 0.602 0.900 0.800 CB 1.091 11 residues pruned to eliminate duplicates Z: 26 26.639 2.061 0.453 0.868 1.000 0.680 CB 1.301 Z: 13 9.099 1.740 0.448 0.490 0.833 0.750 CB 1.263 Z: 16 19.907 2.054 0.648 0.484 1.000 0.600 CB 1.543 16 residues pruned to eliminate duplicates Z: 28 33.411 2.172 0.519 0.868 0.926 0.593 CB 1.539 28 residues pruned to eliminate duplicates Z: 11 20.230 1.922 0.872 0.620 1.000 0.500 CB 1.588 11 residues pruned to eliminate duplicates Z: 16 20.114 1.854 0.740 0.871 0.933 0.800 CB 1.258 16 residues pruned to eliminate duplicates Z: 10 15.716 1.959 0.540 0.899 0.889 0.444 CB 1.396 10 residues pruned to eliminate duplicates Z: 27 28.664 2.012 0.787 0.811 0.846 0.692 CB 1.409 27 residues pruned to eliminate duplicates Z: 15 21.539 1.890 0.638 0.933 1.000 1.000 CB 1.298 15 residues pruned to eliminate duplicates Z: 45 41.141 2.151 0.786 0.676 0.886 0.636 CB 1.549 45 residues pruned to eliminate duplicates Z: 6 4.293 1.763 -0.294 0.787 1.000 0.800 CB 1.198 Z: 13 14.571 1.647 0.691 0.908 1.000 0.917 CB 1.073 13 residues pruned to eliminate duplicates Z: 26 25.215 2.057 0.377 0.895 1.000 0.800 CB 1.276 26 residues pruned to eliminate duplicates Z: 8 3.997 1.393 0.624 0.398 0.857 0.429 C 0.868 Z: 42 44.829 2.208 0.880 0.730 0.927 0.610 CB 1.480 42 residues pruned to eliminate duplicates Z: 40 33.528 2.011 0.872 0.642 0.897 0.667 CB 1.392 40 residues pruned to eliminate duplicates Z: 10 5.694 1.730 -0.089 0.451 0.889 0.556 CB 1.425 7 residues pruned to eliminate duplicates Z: 9 7.785 1.726 0.237 0.585 1.000 0.750 CB 1.187 9 residues pruned to eliminate duplicates Z: 11 12.122 1.899 0.744 0.715 1.000 1.000 CB 0.953 Z: 18 19.260 1.974 0.747 0.579 0.941 0.706 CA 1.333 18 residues pruned to eliminate duplicates Z: 29 26.463 1.970 0.813 0.546 0.893 0.607 CB 1.499 29 residues pruned to eliminate duplicates Z: 37 47.125 2.240 0.734 0.774 0.972 0.722 CB 1.632 37 residues pruned to eliminate duplicates Z: 15 9.969 1.736 0.610 0.486 0.929 0.571 CB 1.041 14 residues pruned to eliminate duplicates Z: 27 20.684 1.914 0.544 0.850 0.846 0.385 CB 1.201 26 residues pruned to eliminate duplicates Z: 42 36.873 2.132 0.764 0.622 0.927 0.756 CB 1.473 42 residues pruned to eliminate duplicates Z: 16 16.823 1.975 0.316 0.891 1.000 0.867 CB 1.201 16 residues pruned to eliminate duplicates Z: 11 17.508 2.067 0.676 0.715 0.800 0.700 CB 1.644 11 residues pruned to eliminate duplicates Z: 54 49.410 2.152 0.858 0.714 0.887 0.679 CB 1.577 54 residues pruned to eliminate duplicates Z: 9 5.259 1.489 0.704 0.339 0.875 0.625 CB 0.999 9 residues pruned to eliminate duplicates Z: 26 20.408 1.776 0.711 0.748 1.000 0.800 CB 1.076 26 residues pruned to eliminate duplicates Z: 28 41.449 2.129 0.809 0.908 1.000 0.889 CB 1.472 28 residues pruned to eliminate duplicates Z: 19 25.294 2.109 0.376 0.891 0.889 0.833 CB 1.662 19 residues pruned to eliminate duplicates 7 1.685 1.654 -0.058 0.361 0.667 0.333 CB 0.769 ? Z: 11 21.609 2.084 0.925 0.696 1.000 0.700 CB 1.424 11 residues pruned to eliminate duplicates Z: 6 4.224 1.708 -0.046 0.652 0.800 0.800 CB 1.258 Z: 26 36.567 2.169 0.753 0.886 0.880 0.600 CB 1.578 26 residues pruned to eliminate duplicates Z: 13 11.488 1.625 0.535 0.842 1.000 0.500 CB 0.991 13 residues pruned to eliminate duplicates Z: 6 2.787 1.465 0.264 0.386 0.800 0.400 N 0.950 Z: 16 21.649 1.994 0.505 0.935 1.000 0.933 CB 1.299 16 residues pruned to eliminate duplicates Z: 13 11.823 1.781 0.256 0.828 0.917 0.833 CB 1.253 13 residues pruned to eliminate duplicates Z: 10 17.937 2.042 0.828 0.840 1.000 0.556 CB 1.195 10 residues pruned to eliminate duplicates Z: 7 4.333 1.848 0.074 0.463 1.000 0.333 CB 0.925 Z: 15 18.775 2.007 0.911 0.557 0.857 0.643 CB 1.443 13 residues pruned to eliminate duplicates Z: 53 50.349 2.199 0.777 0.717 0.942 0.692 CB 1.557 53 residues pruned to eliminate duplicates Z: 11 19.237 1.974 0.475 0.884 1.000 1.000 CA 1.509 11 residues pruned to eliminate duplicates Z: 21 27.603 2.006 0.769 0.698 0.950 0.700 CB 1.529 21 residues pruned to eliminate duplicates Z: 9 6.172 1.848 0.560 0.406 0.875 0.375 CA 0.955 11 residues pruned to eliminate duplicates Z: 27 32.717 2.019 0.706 0.900 0.962 0.654 CB 1.383 27 residues pruned to eliminate duplicates Z: 9 5.376 1.771 -0.063 0.733 0.875 0.875 CB 1.063 9 residues pruned to eliminate duplicates Z: 18 21.173 2.030 0.744 0.501 1.000 0.765 CB 1.450 18 residues pruned to eliminate duplicates Z: 39 49.115 2.248 0.817 0.797 0.947 0.632 CB 1.588 39 residues pruned to eliminate duplicates Z: 46 33.959 2.055 0.668 0.709 0.933 0.644 CB 1.309 33 residues pruned to eliminate duplicates Z: 69 55.663 2.163 0.858 0.631 0.941 0.691 CB 1.577 69 residues pruned to eliminate duplicates Z: 13 9.928 1.933 0.427 0.633 1.000 0.750 CB 0.917 13 residues pruned to eliminate duplicates Z: 11 11.989 1.980 0.484 0.806 0.800 0.500 CB 1.235 11 residues pruned to eliminate duplicates Z: 11 13.691 1.987 0.359 0.736 1.000 0.700 CB 1.297 11 residues pruned to eliminate duplicates Z: 10 9.061 2.006 0.173 0.545 0.889 0.667 CB 1.382 10 residues pruned to eliminate duplicates Z: 37 51.230 2.213 0.871 0.783 0.972 0.750 CA 1.652 37 residues pruned to eliminate duplicates Z: 43 35.123 2.086 0.740 0.616 0.952 0.643 CB 1.406 43 residues pruned to eliminate duplicates Z: 18 34.542 2.182 0.913 0.933 1.000 0.824 CB 1.401 18 residues pruned to eliminate duplicates Z: 25 41.257 2.231 0.836 0.725 1.000 0.792 CB 1.679 25 residues pruned to eliminate duplicates Z: 12 28.590 2.205 1.007 0.759 1.000 0.727 CB 1.547 12 residues pruned to eliminate duplicates Z: 27 33.701 2.072 0.832 0.669 1.000 0.654 CB 1.489 27 residues pruned to eliminate duplicates Z: 17 16.754 1.943 0.533 0.874 0.875 0.812 CB 1.169 17 residues pruned to eliminate duplicates Z: 12 4.233 1.485 0.518 0.312 0.636 0.273 CB 1.096 10 residues pruned to eliminate duplicates Z: 14 18.229 2.025 1.004 0.510 0.923 0.615 CA 1.335 14 residues pruned to eliminate duplicates Z: 24 41.408 2.200 0.900 0.898 1.000 0.565 CB 1.478 24 residues pruned to eliminate duplicates Z: 11 13.280 1.763 0.928 0.868 1.000 0.400 CB 0.903 11 residues pruned to eliminate duplicates Z: 110 73.286 2.186 0.896 0.660 0.954 0.679 CB 1.530 110 residues pruned to eliminate duplicates Z: 44 43.759 2.151 0.839 0.627 0.930 0.767 CB 1.610 44 residues pruned to eliminate duplicates Z: 9 2.697 1.607 -0.051 0.558 1.000 0.750 CB 0.590 9 residues pruned to eliminate duplicates Z: 41 29.212 2.048 0.479 0.740 0.925 0.700 CB 1.329 41 residues pruned to eliminate duplicates Z: 11 17.003 1.989 0.383 0.847 0.900 0.700 CB 1.612 11 residues pruned to eliminate duplicates Z: 10 8.270 2.026 0.036 0.829 0.778 0.667 CB 1.271 10 residues pruned to eliminate duplicates Z: 26 21.730 1.887 0.522 0.839 0.920 0.680 CB 1.228 26 residues pruned to eliminate duplicates Z: 8 4.626 1.739 -0.092 0.602 1.000 0.714 CB 1.005 8 residues pruned to eliminate duplicates Z: 13 14.221 1.653 0.647 0.903 0.917 0.750 CB 1.173 13 residues pruned to eliminate duplicates Z: 8 8.159 1.676 1.018 0.758 0.857 0.286 CB 0.846 8 residues pruned to eliminate duplicates Z: 15 19.427 2.155 0.644 0.624 0.929 0.714 CB 1.405 15 residues pruned to eliminate duplicates Z: 6 3.648 1.416 0.117 0.579 1.000 0.600 CA 0.956 Z: 14 17.279 1.652 0.755 0.938 1.000 0.846 CB 1.150 15 residues pruned to eliminate duplicates Z: 28 21.322 1.910 0.550 0.804 0.889 0.519 CB 1.196 28 residues pruned to eliminate duplicates Z: 16 13.626 1.782 0.673 0.449 0.867 0.600 CB 1.435 16 residues pruned to eliminate duplicates Z: 15 30.116 2.138 0.957 0.721 1.000 0.786 CB 1.575 15 residues pruned to eliminate duplicates Z: 8 2.176 1.572 0.010 0.398 0.714 0.286 CB 0.808 Z: 6 5.985 1.980 -0.382 0.845 1.000 0.800 CB 1.627 6 residues pruned to eliminate duplicates Z: 6 11.925 1.954 0.709 0.621 1.000 0.800 CA 1.424 6 residues pruned to eliminate duplicates Z: 17 32.990 2.116 0.761 0.862 1.000 0.812 CB 1.626 17 residues pruned to eliminate duplicates Z: 10 10.262 1.764 0.809 0.539 1.000 0.556 CB 1.032 10 residues pruned to eliminate duplicates Z: 12 13.360 1.982 0.476 0.745 0.818 0.545 CB 1.352 12 residues pruned to eliminate duplicates Z: 19 16.232 1.803 0.835 0.452 0.833 0.556 CB 1.458 19 residues pruned to eliminate duplicates Z: 37 31.552 2.048 0.665 0.626 0.944 0.694 CB 1.450 37 residues pruned to eliminate duplicates Z: 27 35.298 2.080 0.748 0.644 1.000 0.808 CA 1.665 27 residues pruned to eliminate duplicates Z: 80 51.938 2.174 0.647 0.702 0.911 0.747 CB 1.490 80 residues pruned to eliminate duplicates Z: 10 18.557 2.173 0.547 0.749 1.000 0.889 CB 1.473 10 residues pruned to eliminate duplicates Z: 15 25.581 1.869 1.001 0.918 1.000 0.643 CB 1.290 15 residues pruned to eliminate duplicates Z: 14 22.273 2.027 0.768 0.816 0.923 0.538 CB 1.419 14 residues pruned to eliminate duplicates Z: 14 16.368 1.643 0.674 0.941 1.000 0.923 CB 1.145 14 residues pruned to eliminate duplicates Z: 9 14.570 2.154 0.377 0.753 1.000 0.750 CB 1.386 9 residues pruned to eliminate duplicates Z: 22 20.482 2.027 0.343 0.868 1.000 0.714 CB 1.200 22 residues pruned to eliminate duplicates Z: 8 6.870 1.553 0.297 0.710 1.000 0.714 CA 1.066 6 residues pruned to eliminate duplicates Z: 19 10.302 1.808 0.760 0.503 0.778 0.667 CB 0.978 Z: 22 32.283 2.027 1.004 0.841 1.000 0.667 CB 1.293 22 residues pruned to eliminate duplicates Z: 11 4.083 1.717 -0.097 0.470 0.900 0.400 CB 0.954 7 residues pruned to eliminate duplicates Z: 19 19.540 2.026 0.720 0.458 0.889 0.667 CB 1.553 19 residues pruned to eliminate duplicates Z: 8 2.656 1.378 0.554 0.316 0.857 0.429 CB 0.670 Z: 12 8.021 1.786 0.157 0.430 1.000 0.364 CB 1.258 12 residues pruned to eliminate duplicates Z: 6 2.137 1.608 0.473 0.214 0.800 0.200 CB 0.706 6 residues pruned to eliminate duplicates Z: 37 29.187 2.138 0.579 0.635 0.861 0.472 CB 1.474 37 residues pruned to eliminate duplicates Z: 13 8.622 1.864 0.512 0.596 0.917 0.833 CB 0.879 13 residues pruned to eliminate duplicates Z: 11 6.408 1.555 0.347 0.798 0.800 0.400 CB 0.931 11 residues pruned to eliminate duplicates Z: 33 49.476 2.190 1.085 0.677 0.969 0.656 CB 1.680 33 residues pruned to eliminate duplicates Z: 10 6.554 1.687 0.849 0.652 0.889 0.667 CB 0.684 10 residues pruned to eliminate duplicates Z: 14 15.866 1.860 0.895 0.539 0.923 0.846 CB 1.301 14 residues pruned to eliminate duplicates 7 1.765 1.229 -0.120 0.351 0.833 0.167 CB 0.939 ? Z: 54 55.321 2.180 0.888 0.744 0.981 0.717 CB 1.513 54 residues pruned to eliminate duplicates Z: 16 31.860 2.104 0.983 0.881 0.933 0.800 CB 1.530 16 residues pruned to eliminate duplicates Z: 12 7.961 1.914 0.262 0.565 1.000 0.818 CB 0.933 12 residues pruned to eliminate duplicates Z: 25 21.365 1.959 0.628 0.854 0.833 0.333 CB 1.212 25 residues pruned to eliminate duplicates Z: 14 19.972 2.065 0.749 0.543 1.000 0.846 CB 1.470 14 residues pruned to eliminate duplicates Z: 11 3.896 1.541 0.035 0.406 0.900 0.500 CB 0.948 Z: 9 2.431 1.427 0.151 0.211 0.625 0.250 CA 1.178 Z: 9 6.361 1.655 0.657 0.343 0.750 0.375 CA 1.297 Using tripeptides from previous cycle as seeds Z: 9 4.582 1.641 0.740 0.447 0.625 0.625 N 0.959 9 residues pruned to eliminate duplicates Z: 38 20.937 1.768 0.514 0.608 0.892 0.703 CB 1.301 38 residues pruned to eliminate duplicates Z: 11 9.332 1.867 0.750 0.457 0.800 0.600 CB 1.180 11 residues pruned to eliminate duplicates Z: 11 7.581 1.823 0.624 0.438 0.800 0.600 N 1.080 11 residues pruned to eliminate duplicates Z: 59 42.321 2.209 0.637 0.663 0.862 0.586 CB 1.533 59 residues pruned to eliminate duplicates Z: 40 45.154 2.216 0.754 0.808 0.923 0.667 CB 1.540 40 residues pruned to eliminate duplicates Z: 80 60.738 2.204 0.777 0.725 0.924 0.747 CB 1.542 80 residues pruned to eliminate duplicates Z: 29 31.116 2.150 0.533 0.826 0.893 0.714 CB 1.507 29 residues pruned to eliminate duplicates Z: 77 58.060 2.218 0.833 0.654 0.934 0.605 CB 1.520 77 residues pruned to eliminate duplicates Z: 25 34.202 2.237 0.519 0.878 0.958 0.500 CB 1.556 25 residues pruned to eliminate duplicates Z: 45 38.329 2.111 0.698 0.706 0.909 0.568 CB 1.471 45 residues pruned to eliminate duplicates Z: 80 59.743 2.211 0.762 0.691 0.937 0.671 CB 1.547 80 residues pruned to eliminate duplicates Z: 81 59.214 2.195 0.775 0.702 0.938 0.663 CB 1.508 81 residues pruned to eliminate duplicates Z: 28 33.639 2.107 0.643 0.895 0.926 0.667 CB 1.448 28 residues pruned to eliminate duplicates Z: 44 40.046 2.131 0.656 0.748 0.953 0.605 CB 1.454 44 residues pruned to eliminate duplicates Z: 39 49.821 2.256 0.784 0.805 0.974 0.553 CB 1.580 39 residues pruned to eliminate duplicates Z: 25 36.210 2.227 0.621 0.920 0.958 0.458 CB 1.505 25 residues pruned to eliminate duplicates Z: 85 55.174 2.135 0.708 0.677 0.929 0.607 CB 1.510 85 residues pruned to eliminate duplicates Z: 80 51.530 2.194 0.583 0.670 0.937 0.696 CB 1.523 80 residues pruned to eliminate duplicates Z: 85 56.461 2.141 0.752 0.687 0.952 0.655 CB 1.452 85 residues pruned to eliminate duplicates Z: 35 35.215 2.126 0.634 0.692 0.941 0.618 CB 1.549 35 residues pruned to eliminate duplicates Z: 30 42.666 2.245 0.926 0.731 0.966 0.655 CB 1.542 30 residues pruned to eliminate duplicates Z: 39 46.030 2.231 0.829 0.793 0.921 0.579 CB 1.537 39 residues pruned to eliminate duplicates Z: 39 50.053 2.260 0.826 0.809 0.947 0.526 CB 1.586 39 residues pruned to eliminate duplicates Z: 40 47.308 2.247 0.789 0.801 0.923 0.538 CB 1.569 40 residues pruned to eliminate duplicates Z: 27 39.274 2.180 0.774 0.903 0.962 0.577 CB 1.476 27 residues pruned to eliminate duplicates Z: 81 59.157 2.182 0.791 0.711 0.938 0.637 CB 1.490 81 residues pruned to eliminate duplicates Z: 80 59.110 2.205 0.737 0.699 0.937 0.620 CB 1.546 80 residues pruned to eliminate duplicates Z: 81 57.683 2.175 0.719 0.687 0.963 0.637 CB 1.511 81 residues pruned to eliminate duplicates Z: 52 43.060 2.149 0.852 0.653 0.882 0.667 CB 1.490 52 residues pruned to eliminate duplicates Z: 41 45.019 2.216 0.784 0.740 0.950 0.650 CB 1.528 41 residues pruned to eliminate duplicates Z: 52 40.194 2.151 0.628 0.654 0.961 0.706 CB 1.449 52 residues pruned to eliminate duplicates Z: 83 55.845 2.158 0.720 0.694 0.927 0.707 CB 1.501 83 residues pruned to eliminate duplicates Z: 13 20.867 2.075 0.472 0.843 0.917 0.583 CB 1.602 13 residues pruned to eliminate duplicates Z: 24 19.419 1.968 0.679 0.491 0.870 0.609 CB 1.423 24 residues pruned to eliminate duplicates Z: 6 5.409 1.630 0.620 0.440 0.800 0.600 CA 1.218 6 residues pruned to eliminate duplicates Z: 23 21.482 2.028 0.758 0.515 0.955 0.636 CB 1.327 23 residues pruned to eliminate duplicates Z: 12 8.294 2.034 0.532 0.513 1.000 0.545 CB 0.792 12 residues pruned to eliminate duplicates Z: 24 15.304 1.930 0.644 0.485 0.913 0.609 CB 1.119 24 residues pruned to eliminate duplicates Z: 14 6.829 1.861 0.506 0.383 0.923 0.385 CB 0.829 14 residues pruned to eliminate duplicates Z: 23 15.672 2.003 0.488 0.470 0.909 0.545 CB 1.271 23 residues pruned to eliminate duplicates Z: 24 17.503 2.007 0.611 0.545 0.957 0.609 CB 1.129 24 residues pruned to eliminate duplicates Z: 63 48.201 2.140 0.843 0.597 0.919 0.645 CB 1.538 63 residues pruned to eliminate duplicates Z: 52 44.215 2.137 0.834 0.598 0.922 0.686 CB 1.561 52 residues pruned to eliminate duplicates Z: 85 63.006 2.192 0.842 0.673 0.929 0.690 CB 1.564 85 residues pruned to eliminate duplicates Z: 38 57.794 2.298 0.951 0.826 0.946 0.703 CB 1.690 38 residues pruned to eliminate duplicates Z: 29 35.420 2.198 0.566 0.833 0.964 0.500 CB 1.513 29 residues pruned to eliminate duplicates Z: 51 42.825 2.167 0.821 0.624 0.900 0.660 CB 1.517 51 residues pruned to eliminate duplicates Z: 45 43.440 2.138 0.837 0.699 0.909 0.659 CB 1.529 45 residues pruned to eliminate duplicates Z: 54 51.458 2.199 0.815 0.721 0.943 0.755 CB 1.537 54 residues pruned to eliminate duplicates Z: 52 55.865 2.256 0.845 0.715 0.941 0.549 CB 1.645 52 residues pruned to eliminate duplicates Z: 82 68.365 2.238 0.896 0.702 0.926 0.691 CB 1.608 82 residues pruned to eliminate duplicates Z: 29 51.859 2.299 0.980 0.793 1.000 0.786 CB 1.665 29 residues pruned to eliminate duplicates Z: 53 51.302 2.180 0.799 0.687 0.981 0.654 CB 1.558 53 residues pruned to eliminate duplicates Z: 43 46.082 2.185 0.806 0.734 0.929 0.690 CB 1.573 43 residues pruned to eliminate duplicates Z: 53 59.334 2.226 0.943 0.709 0.981 0.615 CB 1.604 53 residues pruned to eliminate duplicates Z: 52 52.468 2.199 0.768 0.724 0.961 0.667 CB 1.607 52 residues pruned to eliminate duplicates Z: 56 48.971 2.137 0.851 0.669 0.909 0.636 CB 1.570 56 residues pruned to eliminate duplicates Z: 78 56.574 2.161 0.875 0.647 0.909 0.662 CB 1.526 78 residues pruned to eliminate duplicates Z: 52 56.882 2.236 0.828 0.735 0.980 0.686 CB 1.610 52 residues pruned to eliminate duplicates Z: 30 35.414 2.032 0.757 0.840 0.966 0.690 CB 1.424 30 residues pruned to eliminate duplicates Z: 82 70.395 2.235 0.896 0.706 0.963 0.728 CB 1.590 82 residues pruned to eliminate duplicates Z: 41 55.036 2.219 0.913 0.777 1.000 0.675 CB 1.605 41 residues pruned to eliminate duplicates Z: 42 48.046 2.207 0.836 0.743 0.927 0.683 CB 1.607 42 residues pruned to eliminate duplicates Z: 52 57.464 2.236 0.873 0.722 0.980 0.706 CB 1.603 52 residues pruned to eliminate duplicates Z: 83 68.336 2.214 0.882 0.697 0.951 0.683 CB 1.590 83 residues pruned to eliminate duplicates Z: 41 48.569 2.218 0.808 0.740 0.975 0.625 CB 1.583 41 residues pruned to eliminate duplicates Z: 39 53.763 2.269 0.873 0.767 0.974 0.632 CB 1.664 39 residues pruned to eliminate duplicates Z: 100 71.605 2.198 0.873 0.682 0.949 0.687 CB 1.558 100 residues pruned to eliminate duplicates Z: 41 52.846 2.236 0.997 0.763 0.925 0.625 CB 1.602 41 residues pruned to eliminate duplicates Z: 52 53.128 2.247 0.733 0.714 0.961 0.608 CB 1.637 52 residues pruned to eliminate duplicates Z: 45 48.886 2.215 0.807 0.722 0.955 0.727 CB 1.579 45 residues pruned to eliminate duplicates Z: 28 29.714 2.044 0.868 0.833 0.852 0.222 CB 1.320 28 residues pruned to eliminate duplicates Z: 83 66.166 2.212 0.831 0.684 0.951 0.683 CB 1.602 83 residues pruned to eliminate duplicates Z: 52 50.740 2.182 0.879 0.646 0.941 0.667 CB 1.606 52 residues pruned to eliminate duplicates Z: 57 51.505 2.152 0.910 0.664 0.911 0.625 CB 1.580 57 residues pruned to eliminate duplicates Z: 14 19.882 2.088 0.783 0.535 0.923 0.615 CB 1.550 14 residues pruned to eliminate duplicates Z: 15 17.749 2.051 0.895 0.481 0.857 0.571 CB 1.452 15 residues pruned to eliminate duplicates Z: 43 47.588 2.219 0.865 0.632 0.976 0.643 CB 1.605 43 residues pruned to eliminate duplicates Z: 16 17.873 1.978 1.120 0.490 0.800 0.600 CB 1.389 16 residues pruned to eliminate duplicates Z: 44 41.409 2.190 0.869 0.598 0.930 0.651 CB 1.511 44 residues pruned to eliminate duplicates Z: 83 74.992 2.222 0.956 0.703 0.963 0.659 CB 1.643 83 residues pruned to eliminate duplicates Z: 19 15.379 1.929 0.776 0.376 0.889 0.389 CB 1.358 19 residues pruned to eliminate duplicates Z: 121 70.793 2.142 0.909 0.602 0.925 0.650 CB 1.551 161 residues pruned to eliminate duplicates Z: 83 66.079 2.217 0.917 0.671 0.939 0.585 CB 1.562 83 residues pruned to eliminate duplicates Z: 46 44.133 2.145 1.029 0.592 0.911 0.600 CB 1.520 46 residues pruned to eliminate duplicates Z: 84 72.521 2.219 0.916 0.699 0.964 0.735 CB 1.621 84 residues pruned to eliminate duplicates Z: 83 74.721 2.231 0.962 0.697 0.963 0.695 CB 1.634 83 residues pruned to eliminate duplicates Z: 30 42.652 2.224 0.892 0.693 0.966 0.828 CB 1.635 30 residues pruned to eliminate duplicates Z: 49 50.265 2.137 0.930 0.621 1.000 0.688 CB 1.569 49 residues pruned to eliminate duplicates Z: 31 44.172 2.220 0.909 0.660 1.000 0.600 CB 1.640 31 residues pruned to eliminate duplicates Z: 28 48.075 2.267 0.934 0.746 1.000 0.815 CB 1.694 28 residues pruned to eliminate duplicates Z: 43 41.488 2.088 0.881 0.609 0.952 0.738 CB 1.543 43 residues pruned to eliminate duplicates Z: 31 43.996 2.222 0.993 0.688 0.967 0.800 CB 1.579 31 residues pruned to eliminate duplicates Z: 54 49.046 2.152 0.929 0.599 0.943 0.660 CB 1.565 54 residues pruned to eliminate duplicates Z: 46 44.170 2.165 0.839 0.663 0.933 0.644 CB 1.522 46 residues pruned to eliminate duplicates Z: 47 42.999 2.149 0.859 0.616 0.891 0.630 CB 1.595 47 residues pruned to eliminate duplicates Z: 43 48.082 2.198 0.942 0.637 0.952 0.690 CB 1.605 43 residues pruned to eliminate duplicates Z: 55 48.615 2.166 0.813 0.590 0.963 0.704 CB 1.606 55 residues pruned to eliminate duplicates Z: 45 50.174 2.201 0.921 0.673 0.955 0.682 CB 1.598 45 residues pruned to eliminate duplicates Z: 30 40.032 2.175 0.848 0.712 0.966 0.828 CB 1.581 30 residues pruned to eliminate duplicates Z: 33 40.337 2.158 0.861 0.638 0.969 0.656 CB 1.611 33 residues pruned to eliminate duplicates Z: 30 43.905 2.232 1.016 0.683 0.966 0.724 CB 1.585 30 residues pruned to eliminate duplicates Z: 48 46.488 2.151 0.986 0.597 0.915 0.681 CB 1.581 48 residues pruned to eliminate duplicates Z: 105 68.559 2.143 0.916 0.617 0.952 0.702 CB 1.540 105 residues pruned to eliminate duplicates Z: 62 48.881 2.136 0.857 0.586 0.951 0.639 CB 1.529 62 residues pruned to eliminate duplicates Z: 30 40.747 2.246 0.907 0.715 0.931 0.655 CB 1.562 30 residues pruned to eliminate duplicates Z: 31 48.777 2.189 1.163 0.681 0.967 0.600 CB 1.647 31 residues pruned to eliminate duplicates Z: 30 48.768 2.190 1.063 0.710 1.000 0.586 CB 1.656 30 residues pruned to eliminate duplicates Z: 48 47.710 2.166 0.901 0.626 0.957 0.617 CB 1.567 48 residues pruned to eliminate duplicates Z: 28 51.145 2.277 1.035 0.755 1.000 0.704 CB 1.693 28 residues pruned to eliminate duplicates Z: 47 49.886 2.170 0.952 0.631 0.978 0.609 CB 1.570 47 residues pruned to eliminate duplicates Z: 48 40.612 2.144 0.764 0.636 0.915 0.702 CB 1.508 48 residues pruned to eliminate duplicates Z: 44 55.837 2.212 1.006 0.695 1.000 0.674 CB 1.605 44 residues pruned to eliminate duplicates Z: 48 50.447 2.159 0.987 0.618 1.000 0.596 CB 1.534 48 residues pruned to eliminate duplicates Z: 101 69.410 2.177 0.887 0.660 0.950 0.650 CB 1.533 101 residues pruned to eliminate duplicates Z: 16 13.534 1.885 0.562 0.509 0.867 0.400 CB 1.357 16 residues pruned to eliminate duplicates Z: 63 47.778 2.126 0.944 0.582 0.919 0.548 CB 1.475 63 residues pruned to eliminate duplicates Z: 24 18.068 1.833 0.631 0.442 0.957 0.696 CB 1.398 24 residues pruned to eliminate duplicates Z: 29 25.983 1.977 0.731 0.501 0.929 0.571 CB 1.544 29 residues pruned to eliminate duplicates Z: 50 47.834 2.116 0.973 0.614 0.959 0.673 CB 1.532 50 residues pruned to eliminate duplicates Z: 45 51.802 2.201 0.986 0.663 0.955 0.818 CB 1.609 45 residues pruned to eliminate duplicates Z: 20 21.091 1.942 0.750 0.542 0.947 0.526 CB 1.442 20 residues pruned to eliminate duplicates Z: 22 17.514 1.935 0.747 0.497 0.762 0.429 CB 1.489 22 residues pruned to eliminate duplicates Z: 100 63.973 2.150 0.818 0.634 0.919 0.667 CB 1.579 100 residues pruned to eliminate duplicates Z: 59 49.025 2.118 0.956 0.599 0.931 0.586 CB 1.520 59 residues pruned to eliminate duplicates Z: 55 56.197 2.185 1.040 0.635 0.944 0.685 CB 1.600 55 residues pruned to eliminate duplicates Z: 32 26.158 1.993 0.923 0.536 0.839 0.645 CB 1.411 32 residues pruned to eliminate duplicates Z: 56 50.224 2.143 0.959 0.615 0.964 0.618 CB 1.502 56 residues pruned to eliminate duplicates Z: 112 76.853 2.181 0.961 0.641 0.946 0.694 CB 1.581 112 residues pruned to eliminate duplicates Z: 72 57.217 2.135 0.989 0.586 0.944 0.676 CB 1.559 72 residues pruned to eliminate duplicates Z: 53 59.156 2.195 1.010 0.684 0.962 0.712 CB 1.634 53 residues pruned to eliminate duplicates Z: 19 20.384 1.937 1.036 0.429 0.833 0.556 CA 1.574 19 residues pruned to eliminate duplicates Z: 13 23.994 2.120 1.136 0.583 1.000 0.833 CA 1.412 13 residues pruned to eliminate duplicates Z: 30 20.654 1.892 0.973 0.403 0.862 0.483 CB 1.320 30 residues pruned to eliminate duplicates Z: 14 18.259 1.951 0.968 0.459 0.923 0.615 CA 1.490 14 residues pruned to eliminate duplicates Z: 14 14.961 1.939 0.713 0.483 0.923 0.538 CA 1.378 14 residues pruned to eliminate duplicates Z: 62 40.991 2.054 0.824 0.529 0.934 0.607 CB 1.458 62 residues pruned to eliminate duplicates Z: 27 18.203 1.874 0.776 0.404 0.846 0.577 CB 1.403 27 residues pruned to eliminate duplicates Z: 14 16.698 1.936 0.839 0.476 0.923 0.615 CA 1.444 14 residues pruned to eliminate duplicates Z: 24 25.005 1.851 0.959 0.709 0.957 0.783 CB 1.244 24 residues pruned to eliminate duplicates Z: 23 22.113 1.840 0.797 0.693 0.955 0.727 CB 1.252 23 residues pruned to eliminate duplicates Z: 25 20.906 1.785 0.705 0.681 0.958 0.792 CB 1.240 25 residues pruned to eliminate duplicates Z: 10 12.634 2.018 0.797 0.565 0.889 0.667 CB 1.226 10 residues pruned to eliminate duplicates Z: 62 38.803 2.069 0.650 0.680 0.902 0.639 CB 1.367 89 residues pruned to eliminate duplicates Z: 62 40.622 2.082 0.725 0.678 0.885 0.639 CB 1.388 62 residues pruned to eliminate duplicates Z: 63 30.198 1.974 0.674 0.554 0.903 0.565 CB 1.219 63 residues pruned to eliminate duplicates Z: 52 35.678 2.065 0.553 0.679 0.941 0.667 CB 1.404 52 residues pruned to eliminate duplicates Z: 35 32.360 2.032 0.629 0.747 0.971 0.794 CB 1.385 Z: 7 9.020 1.803 1.040 0.398 0.833 0.500 C 1.338 7 residues pruned to eliminate duplicates Z: 51 39.946 2.103 0.656 0.710 0.960 0.620 CB 1.396 86 residues pruned to eliminate duplicates Z: 51 38.121 2.103 0.665 0.666 0.940 0.620 CB 1.405 51 residues pruned to eliminate duplicates Z: 45 31.410 2.050 0.608 0.708 0.864 0.614 CB 1.377 Z: 39 37.656 2.145 0.669 0.808 0.947 0.763 CB 1.377 45 residues pruned to eliminate duplicates Z: 7 8.660 1.629 0.822 0.406 1.000 0.667 C 1.315 7 residues pruned to eliminate duplicates Z: 39 37.667 2.144 0.642 0.801 0.947 0.684 CB 1.409 39 residues pruned to eliminate duplicates Z: 27 21.295 2.024 0.306 0.813 0.923 0.769 CB 1.304 28 residues pruned to eliminate duplicates Z: 28 25.585 2.026 0.432 0.787 1.000 0.741 CB 1.319 27 residues pruned to eliminate duplicates Z: 27 32.945 1.998 0.865 0.871 0.962 0.692 CB 1.315 26 residues pruned to eliminate duplicates Z: 19 23.202 2.033 0.580 0.881 0.944 0.722 CB 1.305 19 residues pruned to eliminate duplicates Z: 51 39.736 2.083 0.781 0.702 0.940 0.600 CB 1.340 91 residues pruned to eliminate duplicates Z: 27 17.005 1.959 0.400 0.630 0.846 0.731 CB 1.272 Z: 27 27.940 2.005 0.583 0.879 0.962 0.692 CB 1.302 27 residues pruned to eliminate duplicates Z: 26 27.825 2.050 0.694 0.886 0.920 0.640 CB 1.257 26 residues pruned to eliminate duplicates Z: 26 26.800 2.056 0.614 0.860 0.920 0.640 CB 1.291 26 residues pruned to eliminate duplicates Z: 38 37.830 2.116 0.707 0.815 0.946 0.757 CB 1.384 25 residues pruned to eliminate duplicates Z: 26 26.434 2.063 0.517 0.899 0.960 0.680 CB 1.258 26 residues pruned to eliminate duplicates Z: 37 33.206 2.021 0.729 0.687 0.972 0.639 CB 1.373 36 residues pruned to eliminate duplicates Z: 26 26.310 2.071 0.524 0.864 1.000 0.680 CB 1.222 26 residues pruned to eliminate duplicates Z: 52 42.077 2.078 0.773 0.686 0.980 0.569 CB 1.376 93 residues pruned to eliminate duplicates Z: 52 38.024 2.049 0.702 0.685 0.922 0.686 CB 1.399 52 residues pruned to eliminate duplicates Z: 51 39.330 2.090 0.731 0.694 0.920 0.680 CB 1.399 51 residues pruned to eliminate duplicates Z: 51 30.521 2.013 0.642 0.645 0.860 0.540 CB 1.326 51 residues pruned to eliminate duplicates Z: 40 38.034 2.121 0.792 0.733 0.923 0.641 CB 1.408 Z: 25 27.277 2.065 0.570 0.880 0.958 0.750 CB 1.299 25 residues pruned to eliminate duplicates Z: 51 42.413 2.097 0.780 0.689 0.960 0.600 CB 1.408 91 residues pruned to eliminate duplicates Z: 39 38.306 2.116 0.715 0.785 0.974 0.684 CB 1.369 Z: 26 28.726 2.041 0.611 0.861 0.960 0.720 CB 1.338 26 residues pruned to eliminate duplicates Z: 10 11.295 1.937 0.592 0.699 0.889 0.222 CB 1.146 10 residues pruned to eliminate duplicates Z: 52 37.573 2.071 0.722 0.680 0.922 0.588 CB 1.356 91 residues pruned to eliminate duplicates Z: 51 39.920 2.094 0.721 0.694 0.940 0.660 CB 1.395 51 residues pruned to eliminate duplicates Z: 25 17.561 1.889 0.716 0.520 0.875 0.458 CB 1.238 25 residues pruned to eliminate duplicates Z: 23 16.615 2.029 0.710 0.515 0.818 0.409 CB 1.230 23 residues pruned to eliminate duplicates Z: 50 43.160 2.136 0.779 0.707 0.980 0.612 CB 1.372 50 residues pruned to eliminate duplicates Z: 22 18.499 2.019 0.755 0.536 0.857 0.429 CB 1.283 22 residues pruned to eliminate duplicates Z: 51 42.223 2.101 0.768 0.702 0.960 0.560 CB 1.393 51 residues pruned to eliminate duplicates Z: 12 15.246 2.029 0.654 0.516 0.909 0.636 CB 1.483 12 residues pruned to eliminate duplicates Z: 36 20.707 1.928 0.861 0.573 0.800 0.429 CB 1.136 36 residues pruned to eliminate duplicates Z: 51 39.352 2.093 0.731 0.708 0.940 0.700 CB 1.352 51 residues pruned to eliminate duplicates Z: 51 44.038 2.118 0.773 0.719 0.960 0.620 CB 1.417 51 residues pruned to eliminate duplicates Z: 8 12.566 1.853 0.734 0.505 1.000 0.714 CA 1.470 8 residues pruned to eliminate duplicates Z: 52 37.404 2.071 0.704 0.653 0.941 0.627 CB 1.368 52 residues pruned to eliminate duplicates Z: 104 65.357 2.152 0.775 0.699 0.951 0.680 CB 1.477 104 residues pruned to eliminate duplicates Z: 12 9.889 2.024 0.819 0.483 0.727 0.545 CB 1.133 12 residues pruned to eliminate duplicates Z: 75 53.749 2.112 1.007 0.613 0.919 0.595 CB 1.441 75 residues pruned to eliminate duplicates Z: 41 58.726 2.212 0.977 0.797 1.000 0.750 CB 1.637 41 residues pruned to eliminate duplicates Z: 17 37.236 2.159 1.143 0.723 1.000 0.812 CA 1.645 17 residues pruned to eliminate duplicates Z: 46 54.253 2.195 1.024 0.736 0.933 0.711 CB 1.578 46 residues pruned to eliminate duplicates Z: 105 70.214 2.157 0.871 0.707 0.962 0.673 CB 1.470 105 residues pruned to eliminate duplicates Z: 83 73.710 2.220 0.997 0.714 0.927 0.683 CB 1.631 83 residues pruned to eliminate duplicates Z: 54 56.408 2.167 0.999 0.698 0.943 0.660 CB 1.583 54 residues pruned to eliminate duplicates Z: 53 50.571 2.150 0.945 0.661 0.981 0.750 CB 1.473 53 residues pruned to eliminate duplicates Z: 33 31.647 2.009 0.810 0.554 0.938 0.719 CB 1.558 33 residues pruned to eliminate duplicates Z: 44 45.605 2.171 0.714 0.708 0.977 0.651 CB 1.583 44 residues pruned to eliminate duplicates Z: 56 53.633 2.146 0.838 0.702 0.982 0.655 CB 1.553 56 residues pruned to eliminate duplicates Z: 42 53.889 2.226 0.866 0.770 0.976 0.683 CB 1.635 42 residues pruned to eliminate duplicates Z: 55 56.352 2.191 0.881 0.724 0.963 0.704 CB 1.579 55 residues pruned to eliminate duplicates Z: 43 53.449 2.206 0.911 0.752 0.952 0.667 CB 1.641 43 residues pruned to eliminate duplicates Z: 55 47.539 2.137 0.715 0.700 0.981 0.778 CB 1.498 55 residues pruned to eliminate duplicates Z: 55 49.104 2.166 0.744 0.695 0.963 0.574 CB 1.538 55 residues pruned to eliminate duplicates Z: 56 48.028 2.134 0.743 0.673 0.982 0.582 CB 1.512 56 residues pruned to eliminate duplicates Z: 53 51.735 2.177 0.924 0.653 0.942 0.635 CB 1.577 53 residues pruned to eliminate duplicates Z: 85 63.877 2.178 0.833 0.667 0.929 0.619 CB 1.611 85 residues pruned to eliminate duplicates Z: 54 55.764 2.195 0.881 0.695 0.981 0.623 CB 1.582 54 residues pruned to eliminate duplicates Z: 54 55.370 2.189 0.856 0.706 0.981 0.698 CB 1.583 54 residues pruned to eliminate duplicates Z: 104 63.519 2.142 0.729 0.691 0.971 0.699 CB 1.462 104 residues pruned to eliminate duplicates Z: 36 46.875 2.157 0.916 0.729 0.971 0.657 CB 1.606 36 residues pruned to eliminate duplicates Z: 52 54.877 2.224 0.921 0.695 0.961 0.765 CB 1.567 52 residues pruned to eliminate duplicates Z: 53 61.840 2.237 0.964 0.738 0.981 0.846 CB 1.608 53 residues pruned to eliminate duplicates Z: 53 53.340 2.164 0.899 0.681 0.962 0.673 CB 1.585 53 residues pruned to eliminate duplicates Z: 108 58.013 2.088 0.812 0.629 0.925 0.626 CB 1.419 108 residues pruned to eliminate duplicates Z: 87 68.469 2.172 0.862 0.694 0.953 0.698 CB 1.603 87 residues pruned to eliminate duplicates Z: 43 54.466 2.165 0.985 0.752 0.976 0.738 CB 1.599 43 residues pruned to eliminate duplicates Z: 52 51.826 2.204 0.841 0.668 0.941 0.745 CB 1.628 52 residues pruned to eliminate duplicates Z: 55 53.346 2.173 0.827 0.720 0.963 0.759 CB 1.556 55 residues pruned to eliminate duplicates Z: 42 52.097 2.198 0.915 0.746 0.951 0.756 CB 1.631 42 residues pruned to eliminate duplicates Z: 104 62.758 2.153 0.723 0.687 0.951 0.641 CB 1.476 104 residues pruned to eliminate duplicates Z: 50 47.775 2.192 0.701 0.716 0.959 0.816 CB 1.570 50 residues pruned to eliminate duplicates Z: 53 47.499 2.193 0.674 0.667 0.962 0.731 CB 1.600 53 residues pruned to eliminate duplicates Z: 41 34.215 2.049 0.846 0.575 0.900 0.625 CB 1.478 41 residues pruned to eliminate duplicates Z: 43 51.317 2.187 0.898 0.736 0.952 0.738 CB 1.621 43 residues pruned to eliminate duplicates Z: 22 28.255 2.198 0.947 0.629 0.905 0.714 CB 1.410 22 residues pruned to eliminate duplicates Z: 52 43.435 2.149 0.846 0.663 0.882 0.549 CB 1.495 52 residues pruned to eliminate duplicates Z: 74 54.361 2.123 0.887 0.654 0.932 0.589 CB 1.478 74 residues pruned to eliminate duplicates Z: 43 54.545 2.180 0.990 0.780 0.976 0.833 CB 1.552 43 residues pruned to eliminate duplicates Z: 51 46.142 2.165 0.876 0.617 0.940 0.620 CB 1.530 51 residues pruned to eliminate duplicates Z: 54 54.454 2.192 0.856 0.715 0.962 0.698 CB 1.572 54 residues pruned to eliminate duplicates Z: 14 15.234 2.112 0.575 0.502 0.923 0.615 CB 1.373 14 residues pruned to eliminate duplicates Z: 12 18.137 2.181 0.494 0.601 1.000 0.727 CB 1.525 12 residues pruned to eliminate duplicates Z: 14 14.501 2.090 0.402 0.547 0.923 0.385 CB 1.420 14 residues pruned to eliminate duplicates Z: 14 15.249 2.057 0.548 0.547 0.846 0.538 CB 1.500 14 residues pruned to eliminate duplicates Z: 13 13.384 2.103 0.522 0.430 0.917 0.583 CB 1.416 13 residues pruned to eliminate duplicates Z: 23 18.000 2.086 0.742 0.500 0.773 0.455 CB 1.367 23 residues pruned to eliminate duplicates Z: 54 53.110 2.184 0.842 0.702 0.943 0.698 CB 1.599 54 residues pruned to eliminate duplicates Z: 25 21.386 2.050 0.743 0.499 0.875 0.500 CB 1.398 25 residues pruned to eliminate duplicates Z: 15 17.312 2.007 0.651 0.477 1.000 0.714 CB 1.430 15 residues pruned to eliminate duplicates Z: 52 43.432 2.151 0.798 0.621 0.902 0.647 CB 1.555 52 residues pruned to eliminate duplicates Z: 66 48.070 2.152 0.829 0.615 0.908 0.631 CB 1.497 66 residues pruned to eliminate duplicates Z: 13 14.065 2.025 0.593 0.491 0.917 0.583 CB 1.386 13 residues pruned to eliminate duplicates Z: 30 49.492 2.267 0.939 0.670 0.966 0.759 CB 1.851 30 residues pruned to eliminate duplicates Z: 81 69.998 2.172 0.954 0.660 0.975 0.700 CB 1.630 81 residues pruned to eliminate duplicates Z: 83 66.473 2.208 0.801 0.656 0.976 0.695 CB 1.636 83 residues pruned to eliminate duplicates Z: 29 57.481 2.277 1.100 0.733 1.000 0.821 CB 1.843 29 residues pruned to eliminate duplicates Z: 30 46.831 2.202 0.999 0.661 0.966 0.793 CA 1.764 30 residues pruned to eliminate duplicates Z: 28 55.311 2.289 1.015 0.743 1.000 0.815 CA 1.857 28 residues pruned to eliminate duplicates Z: 46 46.347 2.172 0.858 0.586 0.956 0.622 CB 1.649 46 residues pruned to eliminate duplicates Z: 84 62.242 2.173 0.790 0.664 0.940 0.723 CB 1.606 84 residues pruned to eliminate duplicates Z: 31 44.116 2.157 0.971 0.635 0.933 0.833 CB 1.787 31 residues pruned to eliminate duplicates Z: 29 52.917 2.259 1.094 0.699 0.964 0.857 CB 1.828 29 residues pruned to eliminate duplicates Z: 45 43.683 2.174 0.812 0.622 0.932 0.568 CB 1.600 45 residues pruned to eliminate duplicates Z: 27 47.208 2.273 0.888 0.731 0.962 0.885 CB 1.823 27 residues pruned to eliminate duplicates Z: 27 51.023 2.304 1.054 0.693 0.962 0.769 CB 1.843 27 residues pruned to eliminate duplicates Z: 32 45.830 2.206 1.089 0.661 0.903 0.806 CB 1.703 32 residues pruned to eliminate duplicates Z: 54 50.994 2.206 0.914 0.591 0.943 0.660 CB 1.612 54 residues pruned to eliminate duplicates Z: 44 48.565 2.173 0.922 0.632 0.953 0.698 CB 1.643 44 residues pruned to eliminate duplicates Z: 134 77.554 2.166 0.791 0.668 0.962 0.692 CB 1.542 134 residues pruned to eliminate duplicates Z: 29 55.413 2.278 1.101 0.696 1.000 0.714 CB 1.830 29 residues pruned to eliminate duplicates Z: 29 50.867 2.259 1.010 0.705 0.964 0.786 CB 1.822 29 residues pruned to eliminate duplicates Z: 44 47.888 2.198 0.972 0.615 0.907 0.674 CB 1.666 44 residues pruned to eliminate duplicates Z: 84 48.282 2.116 0.820 0.520 0.916 0.554 CB 1.473 84 residues pruned to eliminate duplicates Z: 56 49.100 2.166 0.920 0.564 0.945 0.636 CB 1.583 56 residues pruned to eliminate duplicates Z: 31 45.129 2.233 1.183 0.618 0.900 0.667 CB 1.680 31 residues pruned to eliminate duplicates Z: 85 70.514 2.188 0.896 0.669 0.976 0.643 CB 1.625 85 residues pruned to eliminate duplicates Z: 93 63.853 2.178 0.875 0.605 0.935 0.663 CB 1.577 134 residues pruned to eliminate duplicates Z: 17 41.971 2.213 1.213 0.915 1.000 0.562 CB 1.514 17 residues pruned to eliminate duplicates Z: 85 69.845 2.202 0.871 0.677 0.964 0.631 CB 1.629 85 residues pruned to eliminate duplicates Z: 95 61.774 2.163 0.801 0.594 0.957 0.681 CB 1.561 95 residues pruned to eliminate duplicates Z: 46 39.887 2.122 0.851 0.584 0.911 0.600 CB 1.533 46 residues pruned to eliminate duplicates Z: 62 47.151 2.134 0.783 0.563 0.951 0.639 CB 1.571 62 residues pruned to eliminate duplicates Z: 28 17.285 2.006 0.558 0.443 0.852 0.593 CB 1.325 28 residues pruned to eliminate duplicates Z: 16 13.891 2.008 0.386 0.532 1.000 0.733 CB 1.249 16 residues pruned to eliminate duplicates Z: 35 23.426 2.042 0.627 0.447 0.912 0.588 CB 1.400 35 residues pruned to eliminate duplicates Z: 46 39.996 2.124 0.978 0.590 0.867 0.578 CB 1.503 46 residues pruned to eliminate duplicates Z: 56 50.059 2.171 0.894 0.587 0.964 0.655 CB 1.567 56 residues pruned to eliminate duplicates Z: 64 46.142 2.117 0.892 0.549 0.905 0.540 CB 1.530 64 residues pruned to eliminate duplicates Z: 30 22.054 2.033 0.697 0.423 0.931 0.586 CB 1.381 30 residues pruned to eliminate duplicates Z: 17 11.164 1.992 0.289 0.461 0.875 0.500 CB 1.292 17 residues pruned to eliminate duplicates Z: 17 14.516 1.999 0.360 0.526 1.000 0.562 CB 1.301 17 residues pruned to eliminate duplicates Z: 54 49.457 2.195 0.992 0.577 0.906 0.528 CB 1.594 54 residues pruned to eliminate duplicates Z: 33 19.576 1.904 0.590 0.429 0.875 0.438 CB 1.407 33 residues pruned to eliminate duplicates Z: 55 49.337 2.167 0.775 0.623 0.963 0.648 CB 1.614 55 residues pruned to eliminate duplicates Z: 71 50.431 2.124 0.826 0.563 0.957 0.643 CB 1.528 71 residues pruned to eliminate duplicates Z: 54 51.472 2.198 0.885 0.596 0.981 0.585 CB 1.588 54 residues pruned to eliminate duplicates Z: 108 61.774 2.145 0.791 0.601 0.935 0.654 CB 1.511 108 residues pruned to eliminate duplicates Z: 28 21.780 2.029 0.617 0.474 0.963 0.593 CB 1.362 28 residues pruned to eliminate duplicates Z: 51 45.487 2.175 0.855 0.552 0.940 0.600 CB 1.613 51 residues pruned to eliminate duplicates Z: 28 23.380 2.077 0.765 0.519 0.926 0.630 CB 1.300 28 residues pruned to eliminate duplicates Z: 93 69.596 2.179 0.903 0.653 0.978 0.685 CB 1.551 93 residues pruned to eliminate duplicates Z: 6 7.164 1.775 0.844 0.367 1.000 0.400 C 1.129 6 residues pruned to eliminate duplicates Z: 55 53.357 2.171 0.897 0.644 0.981 0.685 CB 1.570 55 residues pruned to eliminate duplicates Z: 57 49.869 2.136 0.949 0.604 0.964 0.625 CB 1.503 57 residues pruned to eliminate duplicates Z: 54 59.100 2.201 1.020 0.643 0.981 0.642 CB 1.628 54 residues pruned to eliminate duplicates Z: 29 25.335 2.024 0.896 0.546 0.929 0.679 CB 1.285 29 residues pruned to eliminate duplicates Z: 95 69.751 2.151 0.945 0.635 0.979 0.702 CB 1.548 95 residues pruned to eliminate duplicates Z: 8 9.014 2.047 0.355 0.403 0.857 0.286 N 1.588 8 residues pruned to eliminate duplicates Z: 96 70.615 2.166 0.888 0.675 0.968 0.726 CB 1.557 96 residues pruned to eliminate duplicates Z: 31 29.373 2.202 0.852 0.525 0.933 0.767 CB 1.375 31 residues pruned to eliminate duplicates Z: 42 40.212 2.140 0.863 0.632 0.902 0.756 CB 1.542 42 residues pruned to eliminate duplicates Z: 42 44.460 2.164 0.936 0.650 0.951 0.707 CB 1.515 42 residues pruned to eliminate duplicates Z: 7 11.313 2.024 0.841 0.536 0.833 0.167 CB 1.436 7 residues pruned to eliminate duplicates Z: 41 40.143 2.150 0.792 0.645 0.975 0.725 CB 1.476 41 residues pruned to eliminate duplicates Z: 42 38.804 2.133 0.811 0.621 0.927 0.659 CB 1.509 42 residues pruned to eliminate duplicates Z: 28 34.298 2.089 0.798 0.694 0.963 0.778 CB 1.528 28 residues pruned to eliminate duplicates Z: 42 37.669 2.134 0.757 0.620 0.951 0.683 CB 1.472 42 residues pruned to eliminate duplicates Z: 57 39.341 2.158 0.740 0.633 0.875 0.571 CB 1.412 57 residues pruned to eliminate duplicates Z: 27 35.411 2.115 0.864 0.713 0.962 0.654 CB 1.510 27 residues pruned to eliminate duplicates Z: 78 51.119 2.129 0.852 0.638 0.909 0.662 CB 1.429 78 residues pruned to eliminate duplicates Z: 27 39.801 2.090 0.988 0.733 1.000 0.808 CB 1.524 26 residues pruned to eliminate duplicates Z: 7 6.566 1.670 0.655 0.391 0.833 0.833 CA 1.306 7 residues pruned to eliminate duplicates Z: 27 37.810 2.128 0.934 0.764 0.962 0.846 CB 1.481 27 residues pruned to eliminate duplicates Z: 28 38.415 2.043 0.987 0.705 1.000 0.815 CB 1.511 28 residues pruned to eliminate duplicates Z: 43 38.686 2.082 0.818 0.647 0.976 0.714 CB 1.408 43 residues pruned to eliminate duplicates Z: 80 58.411 2.202 0.787 0.696 0.949 0.671 CB 1.471 80 residues pruned to eliminate duplicates Z: 43 39.888 2.123 0.948 0.641 0.929 0.786 CB 1.405 43 residues pruned to eliminate duplicates Z: 78 57.827 2.171 0.791 0.683 0.948 0.675 CB 1.511 78 residues pruned to eliminate duplicates Z: 25 37.605 2.142 0.882 0.714 1.000 0.750 CB 1.569 25 residues pruned to eliminate duplicates Z: 26 33.852 2.119 0.860 0.744 0.920 0.760 CB 1.501 26 residues pruned to eliminate duplicates Z: 29 32.282 2.046 0.880 0.702 0.964 0.821 CB 1.369 29 residues pruned to eliminate duplicates Z: 42 38.336 2.142 0.932 0.632 0.902 0.683 CB 1.416 42 residues pruned to eliminate duplicates Z: 40 38.182 2.102 0.955 0.595 0.949 0.615 CB 1.432 42 residues pruned to eliminate duplicates Z: 17 24.659 1.818 1.065 0.885 1.000 0.750 CB 1.185 17 residues pruned to eliminate duplicates Z: 26 42.330 2.122 1.097 0.741 1.000 0.720 CB 1.533 26 residues pruned to eliminate duplicates Z: 28 32.990 2.080 0.962 0.688 0.963 0.630 CB 1.360 28 residues pruned to eliminate duplicates Z: 31 34.634 2.048 1.022 0.647 0.933 0.567 CB 1.427 31 residues pruned to eliminate duplicates Z: 28 38.093 2.101 1.081 0.717 0.926 0.630 CB 1.488 28 residues pruned to eliminate duplicates 322 residues left after pruning, divided into chains as follows: A: 6 B: 14 C: 9 D: 16 E: 8 F: 263 G: 6 CC for partial structure against native data = 30.72 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.464, Connect. = 0.728 for dens.mod. cycle 1 = 0.300, Contrast = 0.532, Connect. = 0.750 for dens.mod. cycle 2 = 0.300, Contrast = 0.614, Connect. = 0.781 for dens.mod. cycle 3 = 0.300, Contrast = 0.615, Connect. = 0.784 for dens.mod. cycle 4 = 0.300, Contrast = 0.621, Connect. = 0.786 for dens.mod. cycle 5 = 0.300, Contrast = 0.623, Connect. = 0.788 for dens.mod. cycle 6 = 0.300, Contrast = 0.625, Connect. = 0.789 for dens.mod. cycle 7 = 0.300, Contrast = 0.626, Connect. = 0.790 for dens.mod. cycle 8 TimeTaking 201.75