++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 16:50:11 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2fna-2.0-parrot-hancs/2fna-2.0-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2fna-2.0-parrot-hancs/2fna-2.0-parrot-hancs.ins Phases from ./2fna-2.0-parrot-hancs/2fna-2.0-parrot-hancs.phi Native data from ./2fna-2.0-parrot-hancs/2fna-2.0-parrot-hancs.hkl Listing output to ./2fna-2.0-parrot-hancs/2fna-2.0-parrot-hancs.lst Phases output to ./2fna-2.0-parrot-hancs/2fna-2.0-parrot-hancs.phs Poly-Ala trace output to ./2fna-2.0-parrot-hancs/2fna-2.0-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 21 1 Allowed origin shift code: 2 53519 Reflections read from file ./2fna-2.0-parrot-hancs/2fna-2.0-parrot-hancs.phi 53519 Reflections read from file ./2fna-2.0-parrot-hancs/2fna-2.0-parrot-hancs.hkl 53519 Unique data, highest resolution = 2.001 Angstroms Anisotropic scaling: intensities multiplied by 0.000021h^2 +0.000076k^2 -0.000117l^2 +0.000000kl -0.000097hl +0.000000hk 906 Reflections with d > 2.201 and 0 in range 2.201 > d > 2.001 added Density sharpening factor set to 0.75 Fourier grid = 128 x 256 x 54 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.668 = 0.300, Contrast = 0.415, Connect. = 0.762 for dens.mod. cycle 1 = 0.300, Contrast = 0.469, Connect. = 0.751 for dens.mod. cycle 2 = 0.300, Contrast = 0.565, Connect. = 0.777 for dens.mod. cycle 3 = 0.300, Contrast = 0.596, Connect. = 0.786 for dens.mod. cycle 4 = 0.300, Contrast = 0.615, Connect. = 0.791 for dens.mod. cycle 5 = 0.300, Contrast = 0.628, Connect. = 0.795 for dens.mod. cycle 6 = 0.300, Contrast = 0.637, Connect. = 0.797 for dens.mod. cycle 7 = 0.300, Contrast = 0.643, Connect. = 0.799 for dens.mod. cycle 8 = 0.300, Contrast = 0.648, Connect. = 0.801 for dens.mod. cycle 9 = 0.300, Contrast = 0.652, Connect. = 0.802 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3451 peaks > 0.5 sigma used to seed fragment search Space for about 917 unique residues taking solvent into account 864 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 32.249 2.119 0.945 0.929 1.000 1.000 CB 1.581 B: 28 52.303 2.178 1.278 0.937 0.963 0.444 CB 1.466 C: 44 56.758 2.148 1.018 0.842 0.953 0.698 CB 1.560 27 residues pruned to eliminate duplicates D: 16 30.785 1.979 0.995 0.900 1.000 0.533 CA 1.438 E: 14 26.493 2.098 1.153 0.896 1.000 0.846 CB 1.165 F: 12 20.381 1.922 0.941 0.892 1.000 0.455 CB 1.184 G: 11 18.182 2.108 0.865 0.910 1.000 0.600 CB 1.037 11 residues pruned to eliminate duplicates H: 11 20.976 2.117 0.818 0.889 1.000 0.400 CB 1.241 11 residues pruned to eliminate duplicates I: 7 4.134 1.823 0.366 0.365 0.667 0.333 N 1.175 J: 16 27.810 1.969 0.905 0.872 1.000 0.467 CB 1.395 15 residues pruned to eliminate duplicates K: 28 49.511 2.219 1.086 0.887 1.000 0.556 CB 1.484 28 residues pruned to eliminate duplicates L: 28 44.904 2.229 1.012 0.906 0.926 0.593 CB 1.481 28 residues pruned to eliminate duplicates M: 29 42.211 2.132 0.915 0.871 0.964 0.679 CB 1.478 29 residues pruned to eliminate duplicates N: 41 22.938 1.990 0.735 0.419 0.900 0.550 CB 1.270 12 residues pruned to eliminate duplicates O: 21 16.896 1.851 0.799 0.466 0.900 0.400 CB 1.306 7 residues pruned to eliminate duplicates P: 13 23.076 2.110 0.421 0.916 1.000 0.833 CB 1.569 13 residues pruned to eliminate duplicates Q: 8 23.126 2.212 1.009 0.777 1.000 0.857 CA 1.540 R: 10 9.001 1.941 0.636 0.566 0.667 0.556 CB 1.329 10 residues pruned to eliminate duplicates S: 15 19.649 2.000 1.128 0.894 1.000 0.643 CB 0.885 15 residues pruned to eliminate duplicates T: 28 48.766 2.173 1.074 0.932 0.963 0.667 CB 1.511 28 residues pruned to eliminate duplicates U: 9 8.429 1.864 0.800 0.523 0.875 0.625 CB 0.992 7 residues pruned to eliminate duplicates V: 14 36.440 2.149 1.027 0.931 1.000 0.846 CB 1.622 14 residues pruned to eliminate duplicates W: 28 47.310 2.217 0.941 0.898 0.963 0.667 CB 1.571 28 residues pruned to eliminate duplicates X: 16 25.809 1.883 1.038 0.856 0.933 0.733 CA 1.372 Y: 11 19.031 1.959 0.783 0.909 1.000 0.700 CB 1.223 11 residues pruned to eliminate duplicates Z: 15 29.645 1.973 1.019 0.917 1.000 0.357 CA 1.404 15 residues pruned to eliminate duplicates Z: 15 14.271 2.035 0.506 0.484 0.929 0.643 CB 1.363 17 residues pruned to eliminate duplicates Z: 14 22.211 2.067 0.927 0.875 1.000 0.769 CB 1.125 14 residues pruned to eliminate duplicates Z: 29 43.994 2.110 0.977 0.894 0.929 0.714 CB 1.540 29 residues pruned to eliminate duplicates Z: 9 12.891 1.859 0.742 0.822 0.750 0.625 CA 1.420 Z: 29 47.483 2.169 0.995 0.917 0.964 0.643 CB 1.518 29 residues pruned to eliminate duplicates Z: 10 19.533 2.200 0.592 0.933 1.000 0.778 CB 1.297 10 residues pruned to eliminate duplicates Z: 10 17.092 1.984 0.497 0.857 1.000 0.778 CA 1.413 9 residues pruned to eliminate duplicates Z: 15 18.559 1.855 0.674 0.907 1.000 0.857 CB 1.135 Z: 45 53.770 2.136 0.960 0.860 0.955 0.545 CB 1.492 45 residues pruned to eliminate duplicates Z: 27 46.364 2.209 0.932 0.918 0.962 0.808 CB 1.563 27 residues pruned to eliminate duplicates Z: 15 35.372 2.089 1.263 0.926 1.000 0.857 CB 1.402 13 residues pruned to eliminate duplicates Z: 7 16.355 2.207 0.404 0.810 1.000 0.833 CA 1.645 7 residues pruned to eliminate duplicates Z: 22 22.500 1.937 1.086 0.556 0.857 0.524 CB 1.342 8 residues pruned to eliminate duplicates Z: 25 46.491 2.234 1.292 0.931 0.917 0.333 CB 1.412 25 residues pruned to eliminate duplicates Z: 14 34.276 2.113 0.848 0.908 1.000 0.923 N 1.730 14 residues pruned to eliminate duplicates Z: 13 19.369 2.098 0.957 0.839 0.917 0.750 CB 1.109 13 residues pruned to eliminate duplicates Z: 14 32.880 2.056 1.071 0.894 0.923 0.923 CA 1.665 16 residues pruned to eliminate duplicates Z: 13 12.518 1.716 0.482 0.849 1.000 0.750 CB 1.053 Z: 11 16.289 1.809 0.555 0.812 1.000 0.700 CB 1.396 9 residues pruned to eliminate duplicates Z: 28 34.831 1.962 0.723 0.931 0.963 0.778 CB 1.439 Z: 23 30.477 1.989 0.774 0.931 0.909 0.727 CB 1.415 23 residues pruned to eliminate duplicates Z: 47 34.655 1.930 0.836 0.678 0.913 0.543 CB 1.341 29 residues pruned to eliminate duplicates Z: 16 22.561 1.953 0.671 0.821 0.933 0.800 CB 1.448 15 residues pruned to eliminate duplicates Z: 24 21.800 2.033 1.053 0.708 0.826 0.522 CB 1.092 Z: 13 20.656 2.046 0.907 0.899 1.000 0.917 CB 1.092 13 residues pruned to eliminate duplicates Z: 32 44.955 2.123 0.902 0.868 0.935 0.806 CB 1.561 32 residues pruned to eliminate duplicates Z: 10 17.036 2.065 0.488 0.708 1.000 0.444 CB 1.529 9 residues pruned to eliminate duplicates Z: 9 11.206 1.825 0.264 0.839 0.875 0.875 O 1.467 Z: 11 20.218 2.061 0.619 0.912 1.000 0.800 CB 1.357 11 residues pruned to eliminate duplicates Z: 17 22.675 1.905 0.798 0.910 1.000 0.938 CA 1.173 Z: 16 24.612 2.015 0.998 0.920 0.933 0.733 CB 1.191 16 residues pruned to eliminate duplicates Z: 27 29.933 1.933 0.645 0.920 0.962 0.885 CB 1.352 27 residues pruned to eliminate duplicates Z: 8 16.620 2.176 0.555 0.850 1.000 1.000 CA 1.375 8 residues pruned to eliminate duplicates Z: 9 10.626 1.893 0.717 0.762 0.875 0.375 CB 1.046 Z: 28 47.267 2.240 0.948 0.912 0.926 0.778 CB 1.594 28 residues pruned to eliminate duplicates Z: 45 47.403 2.049 0.916 0.807 0.932 0.545 CB 1.495 45 residues pruned to eliminate duplicates Z: 13 15.515 1.825 0.490 0.747 0.917 0.833 CB 1.440 Z: 16 24.995 2.108 0.808 0.916 1.000 0.667 CB 1.196 21 residues pruned to eliminate duplicates Z: 13 30.609 2.117 1.402 0.926 1.000 0.833 CB 1.218 14 residues pruned to eliminate duplicates Z: 25 46.055 2.205 1.092 0.928 0.958 0.375 CB 1.490 25 residues pruned to eliminate duplicates Z: 24 32.092 1.983 0.638 0.929 1.000 0.783 CB 1.442 24 residues pruned to eliminate duplicates Z: 43 30.427 2.047 0.708 0.531 0.976 0.643 CB 1.333 43 residues pruned to eliminate duplicates Z: 45 28.036 1.908 0.744 0.556 0.909 0.682 CB 1.323 20 residues pruned to eliminate duplicates Z: 13 32.934 2.096 1.126 0.878 1.000 0.750 CB 1.549 13 residues pruned to eliminate duplicates Z: 14 16.912 2.064 0.565 0.911 0.923 0.769 CB 1.114 14 residues pruned to eliminate duplicates Z: 24 31.958 1.999 0.750 0.935 0.957 0.609 CB 1.388 24 residues pruned to eliminate duplicates Z: 16 19.827 2.132 0.414 0.904 1.000 1.000 CB 1.209 16 residues pruned to eliminate duplicates Z: 12 20.095 1.900 0.998 0.843 1.000 0.455 CB 1.188 Z: 12 11.250 1.692 0.502 0.833 1.000 0.909 CB 1.001 12 residues pruned to eliminate duplicates Z: 14 22.634 2.099 1.180 0.880 1.000 0.769 CB 0.994 14 residues pruned to eliminate duplicates Z: 11 13.860 2.033 0.604 0.634 0.800 0.700 CB 1.481 11 residues pruned to eliminate duplicates Z: 18 26.653 2.090 0.977 0.868 1.000 0.765 CB 1.144 20 residues pruned to eliminate duplicates Z: 18 23.999 2.045 0.680 0.856 1.000 0.882 CB 1.249 18 residues pruned to eliminate duplicates Z: 16 19.761 1.870 0.939 0.917 1.000 0.933 CB 0.993 16 residues pruned to eliminate duplicates Z: 12 13.751 1.838 0.448 0.824 1.000 0.727 CB 1.177 12 residues pruned to eliminate duplicates Z: 13 13.110 1.966 0.555 0.782 0.917 0.667 CB 1.053 13 residues pruned to eliminate duplicates Z: 11 16.412 2.026 0.811 0.808 0.900 0.600 CB 1.201 10 residues pruned to eliminate duplicates Z: 13 11.721 1.700 0.423 0.865 1.000 0.750 CB 1.025 13 residues pruned to eliminate duplicates Z: 12 15.653 1.663 0.661 0.797 1.000 0.818 CA 1.318 12 residues pruned to eliminate duplicates Z: 16 30.783 1.987 1.044 0.927 0.933 0.467 CB 1.469 15 residues pruned to eliminate duplicates Z: 19 17.445 1.864 0.911 0.820 0.944 0.611 CB 0.926 19 residues pruned to eliminate duplicates Z: 16 19.412 1.866 0.719 0.930 1.000 0.733 CB 1.093 16 residues pruned to eliminate duplicates Z: 29 8.100 1.718 0.523 0.266 0.714 0.357 CB 1.068 Z: 12 18.541 1.836 0.551 0.879 1.000 0.909 CB 1.424 13 residues pruned to eliminate duplicates Z: 34 33.991 1.945 0.880 0.605 0.970 0.394 CB 1.510 35 residues pruned to eliminate duplicates Z: 18 15.921 1.624 0.694 0.891 0.882 0.765 CB 1.144 Z: 14 5.931 1.545 0.767 0.215 0.769 0.538 CB 1.095 Z: 12 12.938 1.868 0.746 0.509 0.909 0.727 CB 1.304 12 residues pruned to eliminate duplicates Z: 15 14.276 1.767 0.590 0.501 1.000 0.500 CA 1.357 15 residues pruned to eliminate duplicates Z: 6 25.485 2.285 1.050 0.886 1.000 1.000 CB 1.755 7 residues pruned to eliminate duplicates Z: 9 12.106 1.681 0.296 0.863 1.000 0.875 CA 1.442 9 residues pruned to eliminate duplicates Z: 44 55.321 2.155 1.005 0.862 0.930 0.465 CB 1.541 44 residues pruned to eliminate duplicates Z: 16 12.562 1.602 0.528 0.854 1.000 0.733 CB 0.979 Z: 7 12.659 2.015 0.986 0.605 0.833 0.500 CB 1.402 7 residues pruned to eliminate duplicates Z: 49 37.717 1.933 0.772 0.678 0.979 0.729 CB 1.378 49 residues pruned to eliminate duplicates Z: 11 18.103 1.825 0.812 0.797 1.000 0.700 CA 1.334 Z: 14 34.518 2.153 0.840 0.923 1.000 0.769 CB 1.698 14 residues pruned to eliminate duplicates Z: 13 19.262 1.927 1.260 0.825 0.833 0.750 CB 1.157 13 residues pruned to eliminate duplicates Z: 12 20.729 1.767 0.811 0.810 1.000 0.727 CB 1.491 Z: 12 15.921 1.683 0.452 0.862 1.000 0.636 CB 1.442 Z: 14 6.166 1.675 0.361 0.273 0.769 0.538 CA 1.261 14 residues pruned to eliminate duplicates Z: 15 25.094 1.925 0.866 0.914 1.000 0.929 CA 1.320 14 residues pruned to eliminate duplicates Z: 16 30.668 2.151 1.185 0.892 0.867 0.533 CB 1.397 16 residues pruned to eliminate duplicates Z: 26 36.278 1.971 0.877 0.935 0.920 0.800 CB 1.485 26 residues pruned to eliminate duplicates Z: 24 28.915 1.982 0.496 0.941 0.957 0.739 CB 1.475 24 residues pruned to eliminate duplicates Z: 12 17.386 1.992 0.750 0.775 0.909 0.727 CA 1.298 12 residues pruned to eliminate duplicates Z: 13 33.774 2.131 1.130 0.923 1.000 0.917 CB 1.510 13 residues pruned to eliminate duplicates Z: 43 23.287 1.996 0.722 0.431 0.833 0.524 CB 1.348 43 residues pruned to eliminate duplicates Z: 17 28.309 2.072 0.984 0.925 1.000 0.938 CB 1.208 17 residues pruned to eliminate duplicates Z: 14 23.005 2.054 0.870 0.827 0.923 0.846 CB 1.356 14 residues pruned to eliminate duplicates Z: 43 57.402 2.146 1.024 0.839 0.952 0.619 CB 1.599 43 residues pruned to eliminate duplicates Z: 9 15.678 1.937 0.706 0.841 0.875 0.875 CB 1.430 10 residues pruned to eliminate duplicates Z: 19 24.803 1.940 0.740 0.903 1.000 0.944 CB 1.235 19 residues pruned to eliminate duplicates Z: 18 26.670 1.902 0.757 0.793 1.000 0.647 CA 1.496 18 residues pruned to eliminate duplicates Z: 12 27.881 2.174 0.986 0.863 1.000 0.727 CB 1.429 12 residues pruned to eliminate duplicates Z: 27 49.093 2.205 1.133 0.915 0.962 0.846 CB 1.504 27 residues pruned to eliminate duplicates Z: 19 25.577 1.916 0.798 0.752 0.944 0.611 CB 1.480 19 residues pruned to eliminate duplicates Z: 15 12.565 1.668 0.387 0.893 1.000 0.643 CB 1.041 15 residues pruned to eliminate duplicates Z: 8 14.349 2.005 0.898 0.896 1.000 0.429 CB 1.021 8 residues pruned to eliminate duplicates Z: 20 17.681 1.629 0.594 0.872 1.000 0.789 CB 1.139 20 residues pruned to eliminate duplicates Z: 9 9.669 1.703 0.227 0.732 0.875 0.625 O 1.518 9 residues pruned to eliminate duplicates Z: 12 15.108 1.884 0.602 0.872 0.909 0.727 CB 1.209 12 residues pruned to eliminate duplicates Z: 12 20.550 1.997 0.862 0.871 1.000 0.909 CB 1.215 12 residues pruned to eliminate duplicates Z: 10 19.577 1.940 0.652 0.898 1.000 1.000 CB 1.456 10 residues pruned to eliminate duplicates Z: 18 25.065 2.073 0.845 0.869 1.000 0.824 CB 1.162 18 residues pruned to eliminate duplicates Z: 8 21.398 2.117 0.996 0.912 1.000 1.000 CA 1.355 7 residues pruned to eliminate duplicates Z: 7 10.400 1.858 0.362 0.762 0.833 0.833 CB 1.595 7 residues pruned to eliminate duplicates Z: 12 15.450 1.878 1.040 0.770 0.909 0.727 CB 1.053 12 residues pruned to eliminate duplicates Z: 28 41.814 2.218 1.122 0.880 0.889 0.407 CB 1.394 28 residues pruned to eliminate duplicates Z: 17 28.497 2.127 1.012 0.916 1.000 0.938 CB 1.176 17 residues pruned to eliminate duplicates Z: 6 11.130 2.045 0.898 0.787 1.000 0.800 N 0.996 Z: 28 43.827 2.172 0.940 0.909 0.963 0.630 CB 1.476 28 residues pruned to eliminate duplicates Z: 46 52.899 2.107 0.984 0.835 0.933 0.689 CB 1.514 46 residues pruned to eliminate duplicates Z: 19 24.374 1.963 0.827 0.729 0.833 0.611 CB 1.564 19 residues pruned to eliminate duplicates Z: 7 9.986 1.856 0.656 0.729 0.833 0.667 CB 1.294 7 residues pruned to eliminate duplicates Z: 26 31.536 2.058 0.979 0.743 0.960 0.640 CB 1.298 17 residues pruned to eliminate duplicates Z: 16 28.039 2.033 1.057 0.886 1.000 0.600 CB 1.249 17 residues pruned to eliminate duplicates Z: 10 22.466 1.961 0.897 0.906 1.000 0.778 CA 1.432 10 residues pruned to eliminate duplicates Z: 8 19.473 2.168 0.702 0.818 1.000 0.857 CB 1.513 8 residues pruned to eliminate duplicates Z: 29 42.376 2.202 0.801 0.846 0.964 0.679 CB 1.555 29 residues pruned to eliminate duplicates Z: 10 18.421 1.955 0.853 0.880 1.000 0.667 CB 1.228 10 residues pruned to eliminate duplicates Z: 10 11.320 1.779 1.067 0.778 0.667 0.333 CB 1.204 10 residues pruned to eliminate duplicates Z: 15 26.562 1.989 0.947 0.894 0.929 0.714 CA 1.416 15 residues pruned to eliminate duplicates Z: 6 8.093 1.968 0.915 0.779 0.600 0.400 CB 1.251 6 residues pruned to eliminate duplicates Z: 19 27.376 1.905 0.748 0.755 1.000 0.667 CA 1.543 19 residues pruned to eliminate duplicates Z: 28 37.143 1.959 0.837 0.936 0.963 0.741 CA 1.437 28 residues pruned to eliminate duplicates Z: 9 12.851 1.768 0.554 0.844 1.000 0.750 CB 1.230 9 residues pruned to eliminate duplicates Z: 10 8.733 1.596 0.332 0.785 0.889 0.667 O 1.198 10 residues pruned to eliminate duplicates Z: 15 24.558 1.936 0.710 0.908 1.000 0.857 CA 1.408 15 residues pruned to eliminate duplicates Z: 11 19.256 1.826 0.877 0.881 0.900 0.900 CB 1.430 11 residues pruned to eliminate duplicates Z: 16 30.134 1.977 0.917 0.909 1.000 0.667 CB 1.457 16 residues pruned to eliminate duplicates Z: 46 55.873 2.117 1.027 0.824 0.933 0.622 CB 1.571 46 residues pruned to eliminate duplicates Z: 9 9.020 1.782 0.134 0.839 0.875 0.750 CB 1.348 9 residues pruned to eliminate duplicates Z: 9 15.479 1.870 1.251 0.798 1.000 0.625 CB 1.001 9 residues pruned to eliminate duplicates Z: 22 13.668 1.848 0.712 0.486 0.762 0.429 CB 1.255 20 residues pruned to eliminate duplicates Z: 15 31.209 2.072 1.244 0.912 0.929 0.786 CA 1.368 16 residues pruned to eliminate duplicates Z: 14 33.286 1.945 1.289 0.928 1.000 0.846 CB 1.452 14 residues pruned to eliminate duplicates Z: 11 17.542 1.748 1.135 0.889 1.000 0.400 CB 1.070 11 residues pruned to eliminate duplicates Z: 16 31.606 2.036 0.798 0.922 1.000 0.733 CB 1.567 16 residues pruned to eliminate duplicates Z: 13 34.644 2.022 1.253 0.941 1.000 0.750 CB 1.524 13 residues pruned to eliminate duplicates Z: 11 20.860 1.831 0.953 0.901 0.900 0.700 CA 1.463 11 residues pruned to eliminate duplicates Z: 9 10.685 1.839 0.488 0.790 0.875 0.875 CB 1.223 Z: 29 39.720 2.178 0.723 0.862 0.929 0.786 CB 1.582 29 residues pruned to eliminate duplicates Z: 15 19.219 1.874 0.535 0.827 0.929 0.357 CA 1.450 15 residues pruned to eliminate duplicates Z: 16 19.570 1.855 1.051 0.919 1.000 0.733 CB 0.936 16 residues pruned to eliminate duplicates Z: 14 36.517 2.113 1.239 0.914 1.000 0.692 CB 1.514 14 residues pruned to eliminate duplicates Z: 8 11.900 2.010 0.263 0.879 1.000 1.000 CB 1.286 8 residues pruned to eliminate duplicates Z: 11 19.398 1.987 0.990 0.867 1.000 0.600 CB 1.135 11 residues pruned to eliminate duplicates Z: 14 32.142 2.019 0.925 0.910 1.000 0.846 N 1.627 14 residues pruned to eliminate duplicates Z: 33 43.275 2.117 0.980 0.815 0.938 0.438 CB 1.481 33 residues pruned to eliminate duplicates Z: 17 10.902 2.137 0.518 0.327 0.750 0.312 CB 1.356 Z: 13 13.631 1.666 0.556 0.731 1.000 0.500 CA 1.233 13 residues pruned to eliminate duplicates Z: 14 36.215 2.048 1.096 0.927 1.000 0.692 N 1.641 14 residues pruned to eliminate duplicates Z: 18 24.867 2.051 0.930 0.874 1.000 0.765 CB 1.109 18 residues pruned to eliminate duplicates Z: 21 32.551 2.041 1.045 0.734 0.950 0.500 CB 1.488 14 residues pruned to eliminate duplicates Z: 15 7.014 1.736 0.313 0.414 0.857 0.429 CB 1.051 4 residues pruned to eliminate duplicates Z: 13 13.113 1.579 0.698 0.879 0.917 0.833 CB 1.118 11 residues pruned to eliminate duplicates Z: 11 15.543 1.845 0.615 0.774 1.000 0.600 CB 1.295 11 residues pruned to eliminate duplicates Z: 12 5.772 1.704 0.298 0.239 0.909 0.455 CA 1.171 Z: 32 26.250 2.093 0.868 0.477 0.839 0.484 CB 1.472 36 residues pruned to eliminate duplicates Z: 8 21.817 2.060 0.944 0.915 1.000 1.000 CA 1.456 10 residues pruned to eliminate duplicates Z: 16 33.162 2.043 1.164 0.920 1.000 0.867 CB 1.363 15 residues pruned to eliminate duplicates Z: 18 17.437 1.681 0.754 0.912 0.941 0.647 CB 1.079 15 residues pruned to eliminate duplicates Z: 29 41.920 2.205 0.800 0.870 0.929 0.750 CB 1.568 29 residues pruned to eliminate duplicates Z: 11 15.874 1.873 0.535 0.819 1.000 0.600 CB 1.324 11 residues pruned to eliminate duplicates Z: 7 3.917 1.676 0.735 0.224 0.667 0.500 N 1.138 4 residues pruned to eliminate duplicates Z: 13 17.244 1.661 0.614 0.920 1.000 0.833 CB 1.308 14 residues pruned to eliminate duplicates Z: 6 3.090 1.791 0.668 0.639 0.600 0.600 CB 0.677 Z: 23 36.093 1.997 0.863 0.941 1.000 0.818 CB 1.436 23 residues pruned to eliminate duplicates Z: 12 15.230 1.750 0.697 0.862 0.909 0.818 CB 1.248 12 residues pruned to eliminate duplicates Z: 11 7.276 1.985 0.120 0.350 0.900 0.500 CA 1.353 6 residues pruned to eliminate duplicates Z: 14 28.543 2.050 1.338 0.920 0.923 0.615 CB 1.261 14 residues pruned to eliminate duplicates Z: 10 2.292 1.538 0.118 0.190 0.889 0.556 CB 0.725 Z: 12 25.665 2.039 1.122 0.773 1.000 0.455 CB 1.405 13 residues pruned to eliminate duplicates Z: 13 6.161 1.702 0.328 0.258 0.833 0.583 CB 1.246 14 residues pruned to eliminate duplicates Z: 16 30.654 2.033 1.202 0.927 0.933 0.667 CA 1.327 16 residues pruned to eliminate duplicates Z: 28 34.535 1.915 0.880 0.935 1.000 0.333 CB 1.286 28 residues pruned to eliminate duplicates Z: 41 32.142 1.982 0.753 0.628 0.975 0.625 CB 1.330 41 residues pruned to eliminate duplicates Z: 14 27.911 2.041 0.807 0.890 0.923 0.846 CA 1.635 14 residues pruned to eliminate duplicates Z: 16 20.590 1.854 1.049 0.914 1.000 0.733 CB 0.989 16 residues pruned to eliminate duplicates Z: 19 18.387 1.687 0.298 0.939 1.000 1.000 CB 1.376 18 residues pruned to eliminate duplicates Z: 16 26.728 1.926 0.831 0.909 1.000 0.933 CA 1.389 16 residues pruned to eliminate duplicates Z: 49 24.011 1.979 0.649 0.426 0.896 0.500 CB 1.280 49 residues pruned to eliminate duplicates Z: 18 21.601 2.036 0.584 0.896 1.000 0.765 CB 1.164 18 residues pruned to eliminate duplicates Z: 13 16.427 1.844 0.899 0.789 1.000 0.833 CB 1.050 13 residues pruned to eliminate duplicates Z: 6 5.368 1.648 0.974 0.658 0.600 0.600 CB 1.062 6 residues pruned to eliminate duplicates Z: 14 25.982 2.108 1.273 0.879 1.000 0.615 CB 1.091 14 residues pruned to eliminate duplicates Z: 11 14.427 1.947 0.399 0.840 0.900 0.800 CB 1.388 11 residues pruned to eliminate duplicates Z: 11 8.535 1.700 0.592 0.345 0.900 0.500 CB 1.312 15 residues pruned to eliminate duplicates Z: 6 5.003 1.647 0.441 0.521 0.800 0.600 CB 1.153 6 residues pruned to eliminate duplicates Z: 8 8.274 1.809 0.306 0.801 1.000 0.714 CA 1.017 8 residues pruned to eliminate duplicates Z: 15 32.722 1.898 1.262 0.901 1.000 0.643 CB 1.453 15 residues pruned to eliminate duplicates Z: 16 29.837 2.172 0.849 0.828 0.933 0.867 CB 1.547 16 residues pruned to eliminate duplicates Z: 6 3.123 1.580 0.231 0.299 0.800 0.400 O 1.124 Z: 8 7.716 1.467 0.344 0.867 1.000 0.857 N 1.081 8 residues pruned to eliminate duplicates Z: 16 27.864 1.932 1.020 0.896 1.000 0.733 CA 1.320 16 residues pruned to eliminate duplicates Z: 45 32.356 1.923 0.728 0.633 0.955 0.523 CB 1.357 47 residues pruned to eliminate duplicates Z: 13 17.625 2.085 0.539 0.881 0.917 0.667 CB 1.252 13 residues pruned to eliminate duplicates Z: 13 14.037 1.665 0.342 0.930 1.000 0.917 CB 1.268 13 residues pruned to eliminate duplicates Z: 9 19.227 2.036 0.535 0.887 1.000 0.875 CA 1.569 8 residues pruned to eliminate duplicates Z: 18 18.569 2.014 0.606 0.853 0.941 0.882 CB 1.094 18 residues pruned to eliminate duplicates Z: 14 11.386 1.797 0.275 0.914 1.000 0.923 CB 0.975 14 residues pruned to eliminate duplicates Z: 7 7.744 1.783 0.266 0.758 1.000 0.667 CB 1.113 Z: 14 27.438 2.002 0.745 0.864 1.000 0.769 CB 1.597 14 residues pruned to eliminate duplicates Z: 15 9.563 1.792 0.536 0.398 0.786 0.500 CB 1.315 15 residues pruned to eliminate duplicates Z: 13 15.089 1.621 0.607 0.882 1.000 0.833 CB 1.211 13 residues pruned to eliminate duplicates Z: 20 22.721 1.952 0.692 0.948 0.895 0.684 CB 1.218 20 residues pruned to eliminate duplicates Z: 13 9.825 1.440 0.754 0.697 0.917 0.750 CA 1.023 13 residues pruned to eliminate duplicates Z: 25 28.545 1.958 0.609 0.915 0.917 0.583 CB 1.426 25 residues pruned to eliminate duplicates Z: 17 21.067 1.720 0.704 0.910 1.000 0.438 CB 1.274 18 residues pruned to eliminate duplicates Z: 13 15.125 1.727 0.625 0.895 0.917 0.500 CB 1.217 12 residues pruned to eliminate duplicates Z: 16 27.576 1.997 0.983 0.925 0.933 0.800 CB 1.352 16 residues pruned to eliminate duplicates Z: 19 13.759 1.658 0.435 0.885 0.944 0.889 CB 1.042 19 residues pruned to eliminate duplicates Z: 18 29.971 2.003 0.907 0.795 0.941 0.529 CB 1.561 18 residues pruned to eliminate duplicates Z: 9 5.722 1.745 0.448 0.418 0.750 0.625 CB 1.163 Z: 13 19.449 1.841 0.871 0.911 1.000 0.917 CA 1.155 13 residues pruned to eliminate duplicates Z: 13 14.260 1.851 0.626 0.831 1.000 0.667 CB 1.027 13 residues pruned to eliminate duplicates Z: 9 4.933 1.523 0.797 0.186 0.875 0.500 CB 1.061 Z: 47 25.513 1.984 0.659 0.461 0.891 0.457 CB 1.334 47 residues pruned to eliminate duplicates Z: 27 35.239 1.981 0.880 0.931 0.923 0.808 CB 1.404 27 residues pruned to eliminate duplicates Z: 10 6.623 1.641 0.154 0.816 0.889 0.778 CB 0.997 10 residues pruned to eliminate duplicates Z: 13 15.146 1.630 0.383 0.879 1.000 0.750 CB 1.407 13 residues pruned to eliminate duplicates Z: 24 33.606 1.962 0.688 0.951 1.000 0.870 CB 1.458 24 residues pruned to eliminate duplicates Z: 17 27.494 1.851 1.044 0.901 1.000 0.812 CA 1.298 17 residues pruned to eliminate duplicates Z: 16 14.248 1.767 0.858 0.871 0.933 0.733 CB 0.875 16 residues pruned to eliminate duplicates Z: 19 26.921 1.888 0.716 0.809 1.000 0.778 CA 1.496 19 residues pruned to eliminate duplicates Z: 18 19.257 2.012 0.554 0.853 0.941 0.882 CB 1.173 18 residues pruned to eliminate duplicates Z: 31 23.183 1.891 0.609 0.643 0.933 0.567 CB 1.304 31 residues pruned to eliminate duplicates Z: 44 47.890 2.108 0.960 0.819 0.884 0.651 CB 1.517 44 residues pruned to eliminate duplicates Z: 19 15.200 1.780 0.679 0.492 0.833 0.444 CB 1.451 19 residues pruned to eliminate duplicates Z: 11 17.884 1.872 0.939 0.855 0.900 0.400 CB 1.277 11 residues pruned to eliminate duplicates Z: 16 16.059 1.887 0.710 0.855 0.733 0.600 CB 1.293 16 residues pruned to eliminate duplicates Z: 14 14.082 1.952 0.327 0.906 0.923 0.923 CB 1.162 14 residues pruned to eliminate duplicates Z: 17 10.489 1.622 0.842 0.289 0.875 0.688 CB 1.272 15 residues pruned to eliminate duplicates Z: 18 18.264 1.690 0.654 0.887 1.000 0.824 CB 1.143 18 residues pruned to eliminate duplicates Z: 12 12.465 1.875 0.404 0.589 1.000 0.636 CB 1.311 12 residues pruned to eliminate duplicates Z: 10 10.038 1.651 0.590 0.709 0.889 0.333 CA 1.186 10 residues pruned to eliminate duplicates Z: 21 26.872 1.874 0.726 0.748 0.950 0.850 CA 1.566 21 residues pruned to eliminate duplicates Z: 13 19.857 1.783 1.023 0.885 1.000 0.917 CA 1.147 13 residues pruned to eliminate duplicates Z: 8 11.108 1.781 0.764 0.832 0.857 0.857 CB 1.170 8 residues pruned to eliminate duplicates Z: 9 9.982 1.663 0.309 0.878 0.875 0.875 O 1.344 Z: 15 33.374 2.045 0.960 0.943 1.000 0.929 CB 1.542 15 residues pruned to eliminate duplicates Z: 14 33.473 2.134 0.977 0.914 0.923 0.615 CB 1.686 14 residues pruned to eliminate duplicates Z: 6 2.085 1.283 0.499 0.297 0.800 0.400 N 0.760 Z: 24 33.406 2.015 0.852 0.921 0.957 0.739 CB 1.373 24 residues pruned to eliminate duplicates Z: 27 35.253 1.926 0.840 0.942 0.962 0.808 CA 1.407 27 residues pruned to eliminate duplicates Z: 12 13.182 1.697 0.608 0.874 1.000 0.818 CB 1.060 12 residues pruned to eliminate duplicates Z: 13 17.285 1.657 0.714 0.920 1.000 0.917 CB 1.237 13 residues pruned to eliminate duplicates Z: 11 22.554 1.998 1.127 0.813 1.000 0.900 CB 1.278 11 residues pruned to eliminate duplicates Z: 8 9.045 1.684 0.421 0.875 1.000 0.857 CB 1.039 8 residues pruned to eliminate duplicates Z: 15 25.485 2.014 0.764 0.830 1.000 0.786 CB 1.442 15 residues pruned to eliminate duplicates Z: 9 4.188 1.519 0.502 0.330 0.750 0.375 CB 1.042 Z: 17 19.803 1.668 0.708 0.900 1.000 0.375 CB 1.241 17 residues pruned to eliminate duplicates Z: 17 33.675 1.937 1.334 0.918 1.000 0.750 CB 1.313 16 residues pruned to eliminate duplicates Z: 43 16.810 1.824 0.520 0.394 0.905 0.571 CB 1.157 43 residues pruned to eliminate duplicates Z: 6 2.724 1.547 0.348 0.290 0.800 0.600 CA 0.925 6 residues pruned to eliminate duplicates Z: 25 8.620 1.656 0.737 0.621 0.708 0.292 CB 0.770 25 residues pruned to eliminate duplicates Z: 42 32.572 2.106 0.841 0.564 0.854 0.561 CB 1.445 44 residues pruned to eliminate duplicates Z: 11 18.814 2.011 0.734 0.830 1.000 0.900 CB 1.283 11 residues pruned to eliminate duplicates Z: 7 6.076 1.600 0.622 0.805 0.667 0.500 CA 1.098 7 residues pruned to eliminate duplicates Z: 15 30.451 1.938 0.987 0.879 1.000 0.786 CA 1.532 15 residues pruned to eliminate duplicates Z: 18 14.460 1.910 0.485 0.535 0.882 0.765 CB 1.354 19 residues pruned to eliminate duplicates Z: 6 11.267 1.928 0.936 0.832 0.800 0.400 CA 1.267 6 residues pruned to eliminate duplicates Z: 18 17.461 1.748 0.408 0.914 0.941 0.765 CB 1.293 18 residues pruned to eliminate duplicates Z: 12 18.220 1.895 0.839 0.872 1.000 0.545 CB 1.149 12 residues pruned to eliminate duplicates Z: 35 50.101 2.201 1.146 0.817 0.971 0.706 CB 1.424 33 residues pruned to eliminate duplicates Z: 7 2.864 1.769 0.681 0.243 0.500 0.333 CA 1.059 Z: 11 5.046 1.758 0.067 0.429 0.800 0.700 CB 1.145 8 residues pruned to eliminate duplicates Z: 20 22.245 1.872 0.613 0.771 0.947 0.737 CB 1.404 20 residues pruned to eliminate duplicates Z: 44 46.912 2.183 0.935 0.766 0.884 0.744 CB 1.514 44 residues pruned to eliminate duplicates Z: 10 8.604 1.822 0.187 0.547 1.000 0.556 CB 1.266 10 residues pruned to eliminate duplicates Z: 12 8.609 1.533 0.464 0.484 1.000 0.636 N 1.176 13 residues pruned to eliminate duplicates Z: 12 11.461 1.763 0.555 0.803 0.818 0.636 CB 1.182 12 residues pruned to eliminate duplicates Z: 6 16.079 2.048 0.703 0.859 1.000 0.600 CB 1.517 6 residues pruned to eliminate duplicates Z: 16 22.207 2.038 0.911 0.610 1.000 0.467 CB 1.326 16 residues pruned to eliminate duplicates Z: 9 11.795 1.881 0.210 0.884 1.000 0.750 CB 1.324 9 residues pruned to eliminate duplicates Z: 9 3.292 1.544 0.630 0.186 0.750 0.375 CB 0.899 Z: 16 15.359 2.054 0.652 0.613 0.867 0.600 CB 1.212 16 residues pruned to eliminate duplicates Z: 18 11.822 1.760 0.651 0.331 0.941 0.471 CA 1.262 11 residues pruned to eliminate duplicates Z: 15 27.346 1.991 0.757 0.895 1.000 0.857 CB 1.497 15 residues pruned to eliminate duplicates Z: 15 21.407 1.933 0.641 0.890 1.000 0.786 CA 1.298 15 residues pruned to eliminate duplicates Z: 16 30.203 1.985 1.225 0.901 1.000 0.600 CB 1.260 16 residues pruned to eliminate duplicates Z: 12 11.079 1.592 0.353 0.840 0.909 0.727 CA 1.273 9 residues pruned to eliminate duplicates Z: 26 17.345 1.781 0.779 0.563 1.000 0.440 CB 1.030 23 residues pruned to eliminate duplicates Z: 38 26.212 2.030 0.756 0.486 0.919 0.595 CB 1.335 38 residues pruned to eliminate duplicates Z: 18 14.574 1.696 0.509 0.877 1.000 0.765 CB 1.003 16 residues pruned to eliminate duplicates Z: 12 10.781 1.786 0.621 0.835 0.818 0.818 CA 1.028 12 residues pruned to eliminate duplicates Z: 8 13.475 1.830 0.640 0.899 1.000 1.000 CB 1.213 9 residues pruned to eliminate duplicates Z: 15 16.553 1.819 0.719 0.922 1.000 0.929 CB 0.995 15 residues pruned to eliminate duplicates Z: 16 8.749 1.530 0.263 0.781 0.867 0.800 CB 1.053 Z: 32 27.287 1.986 0.821 0.638 0.871 0.613 CA 1.367 32 residues pruned to eliminate duplicates Z: 27 47.858 2.183 1.200 0.942 1.000 0.538 CB 1.356 27 residues pruned to eliminate duplicates Z: 40 35.196 1.999 0.733 0.681 0.949 0.744 CA 1.452 40 residues pruned to eliminate duplicates Z: 20 17.396 1.663 0.529 0.875 0.947 0.789 CB 1.205 20 residues pruned to eliminate duplicates Z: 8 6.696 1.825 0.383 0.567 0.714 0.571 CB 1.316 8 residues pruned to eliminate duplicates Z: 10 18.323 1.826 0.978 0.860 0.889 0.444 CB 1.399 8 residues pruned to eliminate duplicates Z: 13 18.537 1.831 0.789 0.892 1.000 0.833 CB 1.173 13 residues pruned to eliminate duplicates Z: 13 14.229 1.828 0.847 0.601 0.833 0.417 CB 1.325 13 residues pruned to eliminate duplicates Z: 9 9.088 1.936 0.327 0.769 0.875 0.125 CB 1.127 9 residues pruned to eliminate duplicates Z: 15 19.605 1.955 0.605 0.849 0.857 0.714 CA 1.445 15 residues pruned to eliminate duplicates Z: 19 23.798 2.006 0.882 0.686 1.000 0.778 CB 1.253 19 residues pruned to eliminate duplicates Z: 8 9.354 1.731 0.919 0.700 0.857 0.857 CA 1.034 Z: 13 15.411 1.720 0.821 0.883 1.000 0.583 CB 1.027 13 residues pruned to eliminate duplicates Z: 26 34.170 1.991 0.896 0.937 0.880 0.560 CB 1.433 28 residues pruned to eliminate duplicates Z: 10 12.115 1.674 0.867 0.703 0.778 0.556 CB 1.380 10 residues pruned to eliminate duplicates Z: 15 22.808 1.952 0.686 0.911 1.000 0.929 CA 1.313 15 residues pruned to eliminate duplicates Z: 15 21.257 1.999 0.866 0.829 0.786 0.429 CB 1.459 15 residues pruned to eliminate duplicates Z: 13 17.556 1.772 1.035 0.826 0.833 0.250 CB 1.272 13 residues pruned to eliminate duplicates Z: 15 20.767 2.042 0.880 0.776 0.929 0.643 CB 1.220 15 residues pruned to eliminate duplicates Z: 8 14.376 1.838 0.323 0.884 1.000 0.714 CB 1.615 9 residues pruned to eliminate duplicates Z: 39 35.487 1.984 0.940 0.709 0.921 0.579 CB 1.343 41 residues pruned to eliminate duplicates Z: 63 36.778 1.958 0.803 0.580 0.968 0.613 CB 1.266 63 residues pruned to eliminate duplicates Z: 54 23.971 1.782 0.649 0.656 0.849 0.491 CB 1.141 50 residues pruned to eliminate duplicates Z: 13 12.310 1.755 0.736 0.702 0.750 0.417 CB 1.294 11 residues pruned to eliminate duplicates Z: 21 21.304 2.004 1.083 0.642 0.800 0.500 CB 1.249 21 residues pruned to eliminate duplicates Z: 17 19.341 1.702 0.669 0.922 0.938 0.750 CB 1.277 17 residues pruned to eliminate duplicates Z: 27 36.645 1.972 0.960 0.944 0.962 0.654 CB 1.339 25 residues pruned to eliminate duplicates Z: 16 22.233 1.920 0.661 0.911 0.933 0.933 CA 1.367 16 residues pruned to eliminate duplicates Z: 6 2.389 1.745 0.240 0.511 0.600 0.600 CB 0.814 6 residues pruned to eliminate duplicates Z: 9 14.456 1.860 0.987 0.816 0.875 0.875 CA 1.201 9 residues pruned to eliminate duplicates 6 1.527 1.263 0.041 0.451 0.600 0.400 N 0.910 ? Z: 6 5.594 1.657 0.710 0.662 0.800 0.400 CB 0.950 Z: 29 33.333 1.979 0.942 0.689 0.964 0.357 CB 1.429 29 residues pruned to eliminate duplicates Z: 10 4.198 1.576 0.721 0.187 0.667 0.222 CB 1.127 10 residues pruned to eliminate duplicates Z: 13 12.428 1.568 0.377 0.885 1.000 0.917 CA 1.200 13 residues pruned to eliminate duplicates Z: 22 24.312 1.871 0.882 0.910 0.952 0.429 CB 1.122 22 residues pruned to eliminate duplicates Z: 6 5.704 1.601 0.335 0.827 0.800 0.600 CA 1.124 6 residues pruned to eliminate duplicates Z: 38 36.958 2.063 0.789 0.689 0.946 0.649 CB 1.464 38 residues pruned to eliminate duplicates Z: 10 6.688 1.755 0.389 0.343 0.778 0.444 CA 1.394 10 residues pruned to eliminate duplicates Z: 14 4.103 1.621 0.107 0.179 0.769 0.385 CB 1.213 19 residues pruned to eliminate duplicates Z: 7 4.383 1.708 0.316 0.247 0.833 0.667 CB 1.278 7 residues pruned to eliminate duplicates Z: 11 17.281 1.851 0.654 0.806 1.000 0.700 CB 1.368 14 residues pruned to eliminate duplicates Z: 6 7.901 1.623 0.563 0.840 1.000 0.600 CB 1.040 6 residues pruned to eliminate duplicates Z: 13 19.226 1.818 1.019 0.834 1.000 0.917 CA 1.133 13 residues pruned to eliminate duplicates Z: 16 26.475 1.967 0.923 0.843 0.933 0.867 CA 1.442 16 residues pruned to eliminate duplicates Z: 13 10.601 1.524 0.437 0.771 0.917 0.583 CB 1.199 13 residues pruned to eliminate duplicates Z: 6 2.635 1.487 0.113 0.380 0.800 0.600 CB 1.011 Z: 19 19.891 1.638 0.625 0.929 1.000 0.944 CB 1.232 19 residues pruned to eliminate duplicates Z: 6 6.603 1.761 0.465 0.462 1.000 0.600 CA 1.190 6 residues pruned to eliminate duplicates Z: 12 10.480 1.581 0.241 0.891 0.909 0.909 CA 1.274 12 residues pruned to eliminate duplicates Z: 19 9.695 1.533 0.464 0.731 0.833 0.389 CB 0.992 16 residues pruned to eliminate duplicates Z: 19 18.380 1.660 0.552 0.918 1.000 0.944 CB 1.186 19 residues pruned to eliminate duplicates Z: 18 14.341 1.941 0.565 0.498 0.882 0.588 CB 1.300 18 residues pruned to eliminate duplicates Z: 12 7.555 1.506 0.555 0.874 1.000 0.727 CB 0.708 12 residues pruned to eliminate duplicates Z: 12 3.709 1.536 0.043 0.262 0.909 0.273 CB 1.008 Z: 17 16.686 1.731 0.785 0.886 0.938 0.562 CB 1.040 17 residues pruned to eliminate duplicates Z: 7 4.884 1.848 0.634 0.715 0.667 0.333 CA 0.816 7 residues pruned to eliminate duplicates Z: 11 21.284 1.887 1.227 0.882 0.900 0.600 CB 1.288 10 residues pruned to eliminate duplicates Z: 15 9.249 1.480 0.259 0.850 0.929 0.786 CB 1.058 15 residues pruned to eliminate duplicates Z: 12 8.625 1.482 0.551 0.888 1.000 0.909 CB 0.815 12 residues pruned to eliminate duplicates Z: 7 3.144 1.395 0.707 0.388 0.833 0.500 CA 0.728 Z: 16 23.006 1.899 0.569 0.929 1.000 0.800 CA 1.396 16 residues pruned to eliminate duplicates Z: 14 6.632 1.587 0.248 0.565 0.846 0.615 CB 1.031 10 residues pruned to eliminate duplicates Z: 10 15.608 1.784 0.838 0.905 1.000 0.778 CB 1.129 11 residues pruned to eliminate duplicates Z: 16 19.492 1.926 0.845 0.884 0.800 0.333 CB 1.280 16 residues pruned to eliminate duplicates Z: 16 21.154 1.949 0.639 0.929 1.000 0.933 CB 1.197 16 residues pruned to eliminate duplicates Z: 6 11.029 2.019 0.766 0.713 0.800 0.600 CA 1.426 6 residues pruned to eliminate duplicates Z: 15 19.825 1.813 1.088 0.933 1.000 1.000 CB 0.977 15 residues pruned to eliminate duplicates Z: 29 31.173 2.021 0.830 0.693 0.964 0.714 CB 1.386 29 residues pruned to eliminate duplicates Z: 17 13.304 1.720 0.753 0.859 1.000 0.562 CB 0.812 17 residues pruned to eliminate duplicates Z: 16 13.974 2.064 0.089 0.879 1.000 0.933 CB 1.164 16 residues pruned to eliminate duplicates Z: 10 15.711 1.592 1.125 0.865 1.000 0.556 CB 1.134 8 residues pruned to eliminate duplicates Z: 28 60.774 2.229 1.310 0.924 1.000 0.519 CB 1.596 28 residues pruned to eliminate duplicates Z: 18 19.116 1.703 0.639 0.885 0.941 0.765 CB 1.275 18 residues pruned to eliminate duplicates Z: 12 12.587 1.682 0.767 0.881 1.000 0.727 CB 0.925 12 residues pruned to eliminate duplicates Z: 17 17.434 1.735 0.818 0.918 1.000 0.625 CB 0.975 17 residues pruned to eliminate duplicates Z: 17 15.694 1.927 0.795 0.542 0.938 0.438 CB 1.161 17 residues pruned to eliminate duplicates Z: 6 2.936 1.638 0.294 0.509 0.600 0.600 CB 1.024 6 residues pruned to eliminate duplicates Z: 6 6.629 1.585 0.584 0.598 1.000 0.600 N 1.076 Z: 13 14.850 1.680 0.653 0.895 1.000 1.000 CB 1.107 13 residues pruned to eliminate duplicates Z: 11 9.732 1.758 0.456 0.894 1.000 0.800 CB 0.862 11 residues pruned to eliminate duplicates Z: 10 8.488 1.636 0.649 0.716 0.778 0.667 CA 1.109 10 residues pruned to eliminate duplicates Z: 15 18.643 1.854 0.789 0.913 1.000 0.714 CB 1.063 15 residues pruned to eliminate duplicates Z: 13 16.058 1.820 0.782 0.793 1.000 0.750 CA 1.106 13 residues pruned to eliminate duplicates Z: 22 14.953 1.660 0.581 0.674 0.905 0.714 CB 1.170 22 residues pruned to eliminate duplicates Z: 18 17.096 1.622 0.643 0.914 0.941 0.353 CB 1.169 18 residues pruned to eliminate duplicates Z: 8 2.976 1.535 -0.141 0.354 0.857 0.571 CB 1.165 Z: 9 2.714 1.573 0.057 0.186 0.750 0.125 CB 1.122 Z: 17 26.477 2.051 0.959 0.754 1.000 0.562 CB 1.313 17 residues pruned to eliminate duplicates Z: 11 12.153 1.849 0.689 0.501 0.900 0.500 CB 1.367 11 residues pruned to eliminate duplicates Z: 8 9.022 1.585 1.101 0.533 0.857 0.571 CA 1.156 8 residues pruned to eliminate duplicates Z: 8 5.999 1.725 0.241 0.489 1.000 0.714 CB 1.071 8 residues pruned to eliminate duplicates Z: 18 18.754 1.731 0.678 0.898 1.000 0.824 CB 1.120 18 residues pruned to eliminate duplicates Z: 10 4.004 1.344 0.219 0.709 0.778 0.667 CB 0.867 10 residues pruned to eliminate duplicates Z: 17 15.898 1.692 0.581 0.926 1.000 0.625 CB 1.042 17 residues pruned to eliminate duplicates Z: 13 19.371 1.782 0.743 0.808 0.917 0.750 CA 1.502 19 residues pruned to eliminate duplicates Z: 38 20.809 1.906 0.749 0.440 0.865 0.595 CB 1.261 38 residues pruned to eliminate duplicates Z: 28 30.478 1.926 0.775 0.907 0.963 0.481 CB 1.267 28 residues pruned to eliminate duplicates Z: 18 17.312 1.745 0.680 0.905 1.000 0.765 CB 1.019 18 residues pruned to eliminate duplicates Z: 18 26.326 2.060 1.241 0.791 0.941 0.176 CB 1.139 18 residues pruned to eliminate duplicates Z: 19 30.585 1.990 1.064 0.701 0.944 0.444 CB 1.547 19 residues pruned to eliminate duplicates Z: 8 3.472 1.279 0.426 0.428 0.714 0.429 N 1.086 Z: 37 22.873 1.899 0.762 0.648 0.833 0.444 CB 1.191 37 residues pruned to eliminate duplicates 6 1.588 1.434 0.240 0.321 0.400 0.400 N 1.216 ? Z: 13 11.982 1.678 0.543 0.923 1.000 0.917 CB 0.939 12 residues pruned to eliminate duplicates Z: 28 32.925 2.010 0.877 0.674 0.926 0.667 CB 1.545 28 residues pruned to eliminate duplicates Z: 7 8.432 1.837 0.377 0.680 0.833 0.500 CB 1.384 7 residues pruned to eliminate duplicates Z: 9 6.624 1.413 0.622 0.788 0.875 0.500 CB 0.907 9 residues pruned to eliminate duplicates Z: 16 24.248 1.958 0.733 0.840 0.933 0.600 CB 1.475 16 residues pruned to eliminate duplicates Z: 15 13.468 1.619 0.960 0.851 0.929 0.429 CB 0.905 16 residues pruned to eliminate duplicates Z: 14 10.987 1.521 0.442 0.865 0.923 0.769 CA 1.103 12 residues pruned to eliminate duplicates Z: 35 25.222 1.895 0.614 0.614 0.912 0.618 CB 1.393 35 residues pruned to eliminate duplicates Z: 12 6.723 1.661 0.511 0.313 0.909 0.545 CB 1.093 Z: 6 9.765 1.995 0.885 0.710 1.000 0.600 CB 0.960 6 residues pruned to eliminate duplicates Z: 6 8.702 1.629 0.849 0.728 1.000 0.800 N 1.052 Z: 10 5.597 1.714 0.498 0.479 0.667 0.556 CB 1.114 Z: 8 3.258 1.368 0.690 0.438 0.571 0.429 CB 0.994 Z: 8 5.475 1.523 0.270 0.651 1.000 0.571 CB 0.929 Z: 8 10.469 1.838 0.785 0.568 1.000 0.714 CB 1.129 11 residues pruned to eliminate duplicates Z: 35 24.264 2.007 0.822 0.490 0.912 0.618 CB 1.260 35 residues pruned to eliminate duplicates Z: 11 12.676 1.677 0.460 0.893 0.900 0.600 CB 1.305 11 residues pruned to eliminate duplicates Z: 17 9.642 1.813 0.470 0.331 0.875 0.562 CB 1.245 17 residues pruned to eliminate duplicates Z: 25 45.340 2.217 1.167 0.869 0.958 0.583 CB 1.468 25 residues pruned to eliminate duplicates Z: 17 23.844 1.951 0.809 0.784 0.812 0.688 CA 1.619 17 residues pruned to eliminate duplicates Z: 10 11.965 1.693 0.725 0.820 0.889 0.556 CB 1.163 10 residues pruned to eliminate duplicates Z: 44 34.985 1.933 0.765 0.641 0.953 0.767 CB 1.438 44 residues pruned to eliminate duplicates Z: 8 15.631 1.887 0.718 0.888 0.857 0.286 CA 1.531 8 residues pruned to eliminate duplicates Z: 9 10.533 1.642 0.454 0.883 0.875 0.625 CB 1.290 9 residues pruned to eliminate duplicates Z: 7 4.152 1.407 0.809 0.424 1.000 0.500 CB 0.721 Z: 12 17.083 1.676 0.769 0.913 1.000 0.818 CB 1.230 12 residues pruned to eliminate duplicates Z: 24 20.634 1.872 0.806 0.663 0.870 0.391 CB 1.258 24 residues pruned to eliminate duplicates Z: 19 24.680 2.013 1.170 0.791 0.833 0.444 CB 1.238 19 residues pruned to eliminate duplicates Z: 7 2.096 1.488 0.414 0.245 0.667 0.500 CB 0.819 Z: 6 3.599 1.553 -0.012 0.438 1.000 0.400 CB 1.119 Z: 11 18.463 1.804 0.887 0.876 0.900 0.600 CA 1.384 11 residues pruned to eliminate duplicates Z: 10 15.819 1.977 0.857 0.703 1.000 0.889 CB 1.193 8 residues pruned to eliminate duplicates Z: 38 28.542 1.923 0.735 0.669 0.892 0.541 CB 1.349 42 residues pruned to eliminate duplicates Z: 6 3.853 1.208 0.556 0.788 0.800 0.600 N 0.890 Z: 20 20.131 2.038 0.652 0.568 0.895 0.632 CA 1.436 20 residues pruned to eliminate duplicates Z: 8 11.929 1.889 0.397 0.860 1.000 0.571 CB 1.257 8 residues pruned to eliminate duplicates Z: 6 7.115 1.746 1.023 0.654 0.800 0.600 CB 0.976 Z: 12 16.266 1.816 0.776 0.844 1.000 0.727 CA 1.131 12 residues pruned to eliminate duplicates Z: 11 4.077 1.305 0.552 0.168 1.000 0.400 N 0.954 6 residues pruned to eliminate duplicates Z: 21 27.067 2.003 1.167 0.732 0.900 0.450 CB 1.258 21 residues pruned to eliminate duplicates Z: 7 4.188 1.450 0.561 0.327 0.833 0.500 CB 1.096 Z: 36 18.045 1.900 0.625 0.366 0.829 0.400 CB 1.377 39 residues pruned to eliminate duplicates Z: 13 15.446 1.668 0.635 0.904 0.917 0.417 CB 1.271 13 residues pruned to eliminate duplicates Z: 35 43.645 2.146 0.948 0.755 0.912 0.765 CB 1.565 35 residues pruned to eliminate duplicates Z: 14 27.324 1.962 1.107 0.865 0.923 0.692 CB 1.455 14 residues pruned to eliminate duplicates Z: 21 18.866 1.570 0.565 0.923 1.000 0.950 CB 1.207 21 residues pruned to eliminate duplicates Z: 23 21.201 1.825 0.375 0.897 1.000 0.818 CB 1.289 23 residues pruned to eliminate duplicates Z: 9 14.932 2.173 0.436 0.921 1.000 1.000 CB 1.190 9 residues pruned to eliminate duplicates Z: 7 3.783 1.317 0.652 0.355 0.833 0.333 N 0.996 Z: 6 4.366 1.494 0.682 0.285 0.800 0.200 CB 1.238 Z: 9 4.197 1.628 0.310 0.384 0.625 0.250 CA 1.258 9 residues pruned to eliminate duplicates Z: 12 13.076 1.587 0.405 0.929 0.909 0.727 CB 1.361 13 residues pruned to eliminate duplicates Z: 45 32.038 1.841 0.873 0.578 0.909 0.500 CB 1.429 54 residues pruned to eliminate duplicates Z: 15 7.574 1.852 0.426 0.308 0.857 0.571 CB 1.107 15 residues pruned to eliminate duplicates Z: 10 13.785 1.868 0.823 0.662 0.778 0.444 CA 1.494 10 residues pruned to eliminate duplicates Z: 13 12.613 1.615 0.348 0.854 0.917 0.833 CA 1.348 13 residues pruned to eliminate duplicates Z: 9 11.511 1.675 0.785 0.817 1.000 0.875 CB 1.033 9 residues pruned to eliminate duplicates Z: 7 3.824 1.612 0.329 0.360 0.667 0.333 CB 1.271 7 residues pruned to eliminate duplicates Z: 26 28.224 1.954 0.718 0.808 0.920 0.760 CB 1.397 26 residues pruned to eliminate duplicates Z: 13 7.904 1.757 0.355 0.438 0.833 0.333 CB 1.226 8 residues pruned to eliminate duplicates Z: 10 20.845 1.814 0.971 0.911 1.000 0.667 CB 1.378 10 residues pruned to eliminate duplicates Z: 9 11.715 1.734 0.406 0.848 0.875 0.875 O 1.441 8 residues pruned to eliminate duplicates Z: 7 3.165 1.544 0.381 0.330 0.667 0.500 CA 1.095 Z: 19 25.482 2.006 1.046 0.629 0.889 0.778 CA 1.458 19 residues pruned to eliminate duplicates Z: 8 7.904 1.861 0.376 0.494 0.857 0.571 CB 1.368 7 residues pruned to eliminate duplicates Z: 37 29.442 1.956 0.773 0.666 0.861 0.583 CB 1.409 37 residues pruned to eliminate duplicates Z: 17 8.183 1.739 0.651 0.492 0.688 0.500 CB 1.044 17 residues pruned to eliminate duplicates Z: 14 39.307 2.172 1.184 0.929 1.000 0.769 CB 1.608 14 residues pruned to eliminate duplicates Z: 7 3.197 1.469 0.888 0.421 0.667 0.500 CB 0.767 10 residues pruned to eliminate duplicates Z: 22 21.255 1.937 0.822 0.630 0.810 0.667 CB 1.436 22 residues pruned to eliminate duplicates Z: 12 16.009 1.708 1.119 0.628 0.818 0.545 CB 1.444 8 residues pruned to eliminate duplicates Z: 7 8.043 1.487 0.630 0.870 1.000 0.667 CB 0.989 5 residues pruned to eliminate duplicates Z: 9 5.938 1.600 0.510 0.631 1.000 0.875 CB 0.768 Z: 20 17.931 1.619 0.793 0.818 0.895 0.684 CB 1.202 20 residues pruned to eliminate duplicates Z: 18 5.919 1.625 0.654 0.278 0.647 0.353 CB 1.061 18 residues pruned to eliminate duplicates Z: 11 2.422 1.630 0.131 0.050 0.700 0.200 CB 1.079 Z: 7 10.244 1.821 0.837 0.541 0.833 0.500 CB 1.441 6 residues pruned to eliminate duplicates Z: 26 17.401 1.805 0.421 0.587 0.920 0.640 CB 1.357 26 residues pruned to eliminate duplicates Z: 11 16.611 1.828 0.773 0.857 1.000 1.000 CB 1.195 11 residues pruned to eliminate duplicates Z: 37 21.052 1.809 0.690 0.572 0.889 0.639 CB 1.204 37 residues pruned to eliminate duplicates Z: 8 3.607 1.610 0.409 0.399 0.714 0.571 CB 0.936 Z: 17 12.277 1.989 0.453 0.444 0.812 0.750 CB 1.385 17 residues pruned to eliminate duplicates Z: 15 11.159 1.796 0.367 0.563 0.929 0.571 CB 1.231 15 residues pruned to eliminate duplicates Z: 11 12.505 1.624 0.414 0.902 0.900 0.900 O 1.364 10 residues pruned to eliminate duplicates Z: 7 2.673 1.611 -0.055 0.522 1.000 0.667 N 0.701 Z: 19 7.759 1.639 0.617 0.415 0.667 0.389 CB 1.131 13 residues pruned to eliminate duplicates Z: 9 4.050 1.492 0.152 0.672 0.750 0.375 CB 0.948 9 residues pruned to eliminate duplicates 6 1.664 1.347 0.629 0.100 0.600 0.200 CA 0.942 ? Z: 13 13.001 1.716 0.899 0.890 1.000 0.917 CB 0.829 13 residues pruned to eliminate duplicates Z: 8 12.853 1.789 0.250 0.864 1.000 0.571 N 1.592 8 residues pruned to eliminate duplicates Z: 46 43.612 2.103 0.923 0.707 0.822 0.644 CB 1.621 46 residues pruned to eliminate duplicates Z: 20 12.325 1.745 0.458 0.484 0.947 0.526 CB 1.193 41 residues pruned to eliminate duplicates Z: 25 35.336 1.945 0.825 0.917 1.000 0.958 CB 1.434 25 residues pruned to eliminate duplicates Z: 12 10.088 1.793 0.438 0.761 0.818 0.545 CB 1.143 12 residues pruned to eliminate duplicates Z: 10 10.427 1.428 0.979 0.865 0.889 0.556 CB 1.014 11 residues pruned to eliminate duplicates Z: 6 13.740 1.953 0.555 0.732 1.000 1.000 CB 1.643 11 residues pruned to eliminate duplicates Z: 29 15.345 2.127 0.521 0.385 0.714 0.464 CB 1.418 29 residues pruned to eliminate duplicates Z: 20 19.497 1.846 0.701 0.522 0.947 0.474 CB 1.471 20 residues pruned to eliminate duplicates Z: 42 23.013 1.862 0.741 0.503 0.854 0.634 CB 1.295 42 residues pruned to eliminate duplicates Z: 15 12.351 1.624 0.583 0.860 1.000 0.500 CB 0.944 15 residues pruned to eliminate duplicates Z: 15 6.241 1.678 0.441 0.319 0.786 0.500 CB 1.072 15 residues pruned to eliminate duplicates 6 1.928 1.586 0.089 0.805 1.000 0.800 CB 0.383 ? Z: 16 12.717 1.871 0.964 0.365 0.933 0.533 CB 1.107 Z: 12 15.947 1.739 0.855 0.923 1.000 0.818 CB 1.047 12 residues pruned to eliminate duplicates Z: 17 19.808 1.772 0.965 0.856 1.000 0.625 CB 1.049 17 residues pruned to eliminate duplicates Z: 6 3.067 1.265 0.150 0.610 1.000 0.600 CB 0.850 Z: 8 3.432 1.382 0.858 0.318 0.857 0.714 CB 0.720 Z: 20 38.004 2.256 0.874 0.846 1.000 0.737 CA 1.532 20 residues pruned to eliminate duplicates 600 residues left after pruning, divided into chains as follows: A: 50 B: 17 C: 7 D: 9 E: 86 F: 59 G: 63 H: 41 I: 13 J: 91 K: 19 L: 8 M: 42 N: 16 O: 9 P: 15 Q: 16 R: 19 S: 12 T: 8 CC for partial structure against native data = 37.71 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.462, Connect. = 0.752 for dens.mod. cycle 1 = 0.300, Contrast = 0.530, Connect. = 0.771 for dens.mod. cycle 2 = 0.300, Contrast = 0.637, Connect. = 0.798 for dens.mod. cycle 3 = 0.300, Contrast = 0.648, Connect. = 0.800 for dens.mod. cycle 4 = 0.300, Contrast = 0.660, Connect. = 0.801 for dens.mod. cycle 5 = 0.300, Contrast = 0.664, Connect. = 0.802 for dens.mod. cycle 6 = 0.300, Contrast = 0.670, Connect. = 0.804 for dens.mod. cycle 7 = 0.300, Contrast = 0.672, Connect. = 0.805 for dens.mod. cycle 8 = 0.300, Contrast = 0.675, Connect. = 0.806 for dens.mod. cycle 9 = 0.300, Contrast = 0.675, Connect. = 0.806 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3435 peaks > 0.5 sigma used to seed fragment search Space for about 917 unique residues taking solvent into account 853 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 20.946 2.042 0.893 0.874 1.000 0.545 CB 1.189 B: 10 21.826 2.415 0.650 0.860 1.000 0.667 CB 1.343 10 residues pruned to eliminate duplicates C: 27 56.595 2.417 1.150 0.916 0.885 0.423 CB 1.706 D: 15 35.594 2.246 0.864 0.926 0.929 0.929 N 1.715 E: 10 20.278 2.398 0.607 0.919 1.000 0.556 CB 1.236 10 residues pruned to eliminate duplicates F: 13 32.691 2.350 0.488 0.942 1.000 1.000 CA 1.872 13 residues pruned to eliminate duplicates G: 29 65.545 2.347 1.172 0.939 0.964 0.536 CB 1.752 28 residues pruned to eliminate duplicates H: 44 65.922 2.263 0.989 0.825 0.953 0.628 CA 1.768 26 residues pruned to eliminate duplicates I: 11 13.012 2.097 0.513 0.845 0.900 0.600 CB 1.072 11 residues pruned to eliminate duplicates J: 11 22.198 2.221 0.866 0.842 1.000 0.700 CB 1.262 12 residues pruned to eliminate duplicates K: 14 40.638 2.284 0.936 0.907 1.000 0.769 CA 1.812 15 residues pruned to eliminate duplicates L: 11 16.240 2.250 0.756 0.827 0.800 0.500 CB 1.224 11 residues pruned to eliminate duplicates M: 26 54.778 2.269 1.130 0.939 0.960 0.560 CA 1.642 26 residues pruned to eliminate duplicates N: 13 35.854 2.365 0.615 0.913 1.000 0.750 CA 1.918 13 residues pruned to eliminate duplicates O: 25 59.918 2.433 1.013 0.961 0.958 0.792 CA 1.784 25 residues pruned to eliminate duplicates P: 28 64.184 2.381 1.243 0.934 0.926 0.556 CB 1.741 28 residues pruned to eliminate duplicates Q: 15 30.674 2.234 0.950 0.849 1.000 0.786 CB 1.395 R: 16 32.227 2.128 0.818 0.926 1.000 0.733 CA 1.508 S: 28 56.833 2.353 0.888 0.927 0.963 0.593 CB 1.791 28 residues pruned to eliminate duplicates T: 24 65.623 2.433 1.184 0.931 1.000 0.696 CB 1.800 24 residues pruned to eliminate duplicates U: 28 59.423 2.367 0.976 0.888 1.000 0.667 CB 1.762 28 residues pruned to eliminate duplicates V: 11 19.899 1.996 0.598 0.906 1.000 0.700 CB 1.404 W: 18 38.581 2.164 0.846 0.810 1.000 0.765 CB 1.788 18 residues pruned to eliminate duplicates X: 16 35.232 2.125 1.000 0.927 1.000 0.800 CA 1.499 16 residues pruned to eliminate duplicates Y: 18 39.551 2.149 0.936 0.791 1.000 0.706 CB 1.786 18 residues pruned to eliminate duplicates Z: 28 60.366 2.367 0.919 0.931 1.000 0.815 CA 1.787 28 residues pruned to eliminate duplicates Z: 12 21.212 1.985 0.746 0.838 0.909 0.545 CB 1.517 Z: 14 25.526 2.208 1.157 0.802 0.846 0.769 CB 1.350 14 residues pruned to eliminate duplicates Z: 29 61.786 2.353 1.048 0.925 1.000 0.429 CB 1.700 29 residues pruned to eliminate duplicates Z: 15 35.284 2.262 1.103 0.913 1.000 0.929 CB 1.402 15 residues pruned to eliminate duplicates Z: 12 27.228 2.241 0.872 0.853 0.909 0.909 CB 1.591 11 residues pruned to eliminate duplicates Z: 29 59.183 2.360 1.039 0.891 0.929 0.679 CB 1.800 29 residues pruned to eliminate duplicates Z: 22 41.779 2.202 0.890 0.945 0.952 0.810 CA 1.592 Z: 28 59.665 2.389 1.004 0.911 0.926 0.556 CB 1.835 28 residues pruned to eliminate duplicates Z: 24 39.242 2.167 0.771 0.947 0.957 0.826 CA 1.540 24 residues pruned to eliminate duplicates Z: 11 25.832 2.102 1.212 0.878 1.000 0.500 CB 1.275 11 residues pruned to eliminate duplicates Z: 12 14.137 2.063 0.682 0.564 0.727 0.545 CA 1.587 Z: 70 41.847 2.113 0.700 0.515 0.928 0.652 CB 1.489 23 residues pruned to eliminate duplicates Z: 67 47.592 2.199 0.658 0.596 0.970 0.758 CB 1.511 66 residues pruned to eliminate duplicates Z: 16 30.017 2.042 0.862 0.928 0.933 0.867 CA 1.529 Z: 17 29.873 2.011 1.087 0.893 0.875 0.250 CA 1.460 17 residues pruned to eliminate duplicates Z: 18 25.489 1.922 1.022 0.872 1.000 0.765 CB 1.159 18 residues pruned to eliminate duplicates Z: 9 17.366 1.966 0.508 0.888 1.000 1.000 CA 1.492 Z: 11 18.654 2.270 0.523 0.802 0.800 0.800 CB 1.639 11 residues pruned to eliminate duplicates Z: 45 60.919 2.250 0.877 0.858 0.932 0.795 CA 1.718 45 residues pruned to eliminate duplicates Z: 15 34.739 2.145 0.973 0.885 0.929 0.786 CA 1.706 15 residues pruned to eliminate duplicates Z: 17 24.906 1.937 0.816 0.923 1.000 0.938 CA 1.244 Z: 18 22.599 1.864 0.815 0.899 0.941 0.824 CA 1.231 18 residues pruned to eliminate duplicates Z: 7 8.114 1.764 0.551 0.779 0.833 0.500 N 1.136 Z: 9 21.186 2.273 0.399 0.921 1.000 1.000 CB 1.658 9 residues pruned to eliminate duplicates Z: 23 39.624 2.099 0.921 0.890 0.955 0.591 CA 1.579 24 residues pruned to eliminate duplicates Z: 25 60.740 2.428 0.987 0.933 0.958 0.792 CB 1.871 25 residues pruned to eliminate duplicates Z: 29 64.765 2.369 1.245 0.933 0.929 0.536 CB 1.730 29 residues pruned to eliminate duplicates Z: 41 26.489 2.004 0.677 0.559 0.825 0.625 CB 1.427 41 residues pruned to eliminate duplicates Z: 16 29.055 2.043 1.027 0.934 1.000 0.800 CB 1.263 16 residues pruned to eliminate duplicates Z: 46 67.658 2.299 0.980 0.837 0.911 0.622 CB 1.820 46 residues pruned to eliminate duplicates Z: 64 48.136 2.205 0.840 0.573 0.921 0.587 CB 1.513 63 residues pruned to eliminate duplicates Z: 28 32.873 2.044 0.676 0.876 0.889 0.593 CA 1.509 20 residues pruned to eliminate duplicates Z: 16 31.521 2.047 1.013 0.908 1.000 0.867 CA 1.403 16 residues pruned to eliminate duplicates Z: 10 26.599 2.179 0.656 0.925 1.000 1.000 CA 1.725 11 residues pruned to eliminate duplicates Z: 11 11.255 1.732 0.149 0.816 0.900 0.800 O 1.510 10 residues pruned to eliminate duplicates Z: 16 31.256 2.008 0.940 0.899 1.000 0.867 CA 1.481 16 residues pruned to eliminate duplicates Z: 7 17.179 2.339 0.326 0.858 1.000 1.000 CA 1.665 Z: 16 42.689 2.206 1.014 0.884 1.000 0.867 N 1.792 14 residues pruned to eliminate duplicates Z: 10 19.969 1.992 0.719 0.780 1.000 0.778 CA 1.518 7 residues pruned to eliminate duplicates Z: 14 23.137 2.139 0.579 0.637 1.000 0.538 CB 1.670 Z: 19 38.262 2.049 1.130 0.827 0.944 0.722 CB 1.649 19 residues pruned to eliminate duplicates Z: 11 21.252 2.055 0.487 0.857 1.000 0.900 CB 1.621 11 residues pruned to eliminate duplicates Z: 10 11.278 1.835 0.226 0.847 0.889 0.778 CB 1.395 10 residues pruned to eliminate duplicates Z: 27 41.910 2.129 0.820 0.935 0.962 0.885 CA 1.538 27 residues pruned to eliminate duplicates Z: 31 30.795 2.077 0.787 0.652 0.900 0.733 CB 1.461 31 residues pruned to eliminate duplicates Z: 13 38.416 2.297 1.025 0.930 1.000 1.000 CA 1.667 13 residues pruned to eliminate duplicates Z: 25 16.064 2.096 0.632 0.486 0.750 0.500 CB 1.296 25 residues pruned to eliminate duplicates Z: 14 39.714 2.187 1.039 0.930 1.000 0.615 CA 1.728 15 residues pruned to eliminate duplicates Z: 16 31.127 2.100 0.809 0.891 1.000 0.800 CA 1.521 16 residues pruned to eliminate duplicates Z: 15 34.941 2.290 1.018 0.910 1.000 0.929 CB 1.433 15 residues pruned to eliminate duplicates Z: 29 61.972 2.323 1.078 0.943 1.000 0.536 CA 1.681 29 residues pruned to eliminate duplicates Z: 32 34.188 2.069 0.850 0.663 0.968 0.645 CB 1.425 32 residues pruned to eliminate duplicates Z: 17 40.624 2.181 0.954 0.835 1.000 0.750 CA 1.785 17 residues pruned to eliminate duplicates Z: 11 18.554 2.008 0.486 0.881 0.900 0.700 CA 1.582 Z: 15 36.378 2.082 1.047 0.930 1.000 0.857 CB 1.596 16 residues pruned to eliminate duplicates Z: 19 16.510 2.000 0.669 0.518 0.778 0.444 CB 1.473 19 residues pruned to eliminate duplicates Z: 11 25.997 2.352 0.768 0.889 0.900 0.700 CB 1.582 11 residues pruned to eliminate duplicates Z: 16 27.238 2.007 0.835 0.857 0.933 0.867 CA 1.508 16 residues pruned to eliminate duplicates Z: 8 16.277 2.364 0.189 0.899 1.000 1.000 CA 1.564 7 residues pruned to eliminate duplicates Z: 11 11.355 1.808 0.887 0.447 0.700 0.600 CB 1.589 8 residues pruned to eliminate duplicates Z: 14 41.671 2.344 1.349 0.898 1.000 0.615 CB 1.501 15 residues pruned to eliminate duplicates Z: 15 26.907 2.151 0.733 0.922 1.000 0.786 CA 1.357 15 residues pruned to eliminate duplicates Z: 11 18.428 1.972 0.674 0.671 1.000 0.500 CB 1.507 11 residues pruned to eliminate duplicates Z: 25 37.265 2.155 0.669 0.933 0.917 0.708 CA 1.610 30 residues pruned to eliminate duplicates Z: 13 17.171 1.771 0.636 0.863 1.000 0.917 CB 1.255 Z: 12 18.672 1.947 0.424 0.896 1.000 0.909 CB 1.455 12 residues pruned to eliminate duplicates Z: 10 17.007 1.834 0.616 0.903 1.000 0.778 CA 1.363 10 residues pruned to eliminate duplicates Z: 16 24.403 1.987 0.816 0.902 1.000 0.667 CB 1.245 16 residues pruned to eliminate duplicates Z: 28 53.675 2.358 0.782 0.932 1.000 0.815 CA 1.716 28 residues pruned to eliminate duplicates Z: 14 34.337 2.302 0.547 0.935 1.000 1.000 CA 1.863 14 residues pruned to eliminate duplicates Z: 28 44.252 2.156 0.781 0.950 0.926 0.815 CA 1.652 25 residues pruned to eliminate duplicates Z: 16 35.467 2.194 0.953 0.859 0.933 0.667 CB 1.684 16 residues pruned to eliminate duplicates Z: 14 42.998 2.323 0.943 0.911 1.000 0.846 N 1.872 14 residues pruned to eliminate duplicates Z: 10 14.806 2.011 0.367 0.692 0.889 0.667 CA 1.693 10 residues pruned to eliminate duplicates Z: 28 46.984 2.128 0.850 0.949 1.000 0.815 CA 1.585 27 residues pruned to eliminate duplicates Z: 16 33.114 2.084 0.893 0.930 1.000 0.933 CA 1.515 16 residues pruned to eliminate duplicates Z: 10 19.479 2.070 0.594 0.827 1.000 0.667 CA 1.483 11 residues pruned to eliminate duplicates Z: 69 44.282 2.125 0.806 0.516 0.956 0.588 CB 1.441 69 residues pruned to eliminate duplicates Z: 10 13.577 1.990 0.211 0.686 1.000 0.556 CA 1.583 10 residues pruned to eliminate duplicates Z: 30 55.763 2.256 1.011 0.911 0.966 0.828 CA 1.676 30 residues pruned to eliminate duplicates Z: 10 13.823 2.099 0.220 0.796 1.000 0.556 CA 1.388 9 residues pruned to eliminate duplicates Z: 7 14.381 2.217 0.267 0.854 1.000 0.833 CA 1.543 7 residues pruned to eliminate duplicates Z: 10 27.070 2.107 1.114 0.915 1.000 0.889 CB 1.431 10 residues pruned to eliminate duplicates Z: 14 15.908 1.963 0.616 0.766 0.923 0.769 CA 1.190 Z: 14 34.911 2.283 1.041 0.817 0.923 0.769 CB 1.710 14 residues pruned to eliminate duplicates Z: 60 44.773 2.093 0.729 0.665 0.898 0.695 CB 1.540 25 residues pruned to eliminate duplicates Z: 9 19.538 2.232 0.264 0.886 1.000 0.750 CA 1.766 9 residues pruned to eliminate duplicates Z: 10 16.404 2.169 0.585 0.762 0.889 0.889 CA 1.417 10 residues pruned to eliminate duplicates Z: 15 28.206 2.232 1.010 0.891 1.000 0.714 CB 1.208 15 residues pruned to eliminate duplicates Z: 14 37.630 2.296 1.032 0.842 1.000 0.692 CB 1.667 14 residues pruned to eliminate duplicates Z: 7 13.772 1.941 0.806 0.738 1.000 0.833 N 1.296 Z: 10 15.947 1.967 0.363 0.905 1.000 0.889 N 1.411 10 residues pruned to eliminate duplicates Z: 14 22.956 1.928 1.275 0.852 0.923 0.538 CB 1.162 Z: 15 30.434 2.099 1.037 0.923 1.000 0.929 CA 1.337 17 residues pruned to eliminate duplicates Z: 16 11.181 1.851 0.504 0.469 0.933 0.667 CB 1.147 Z: 15 27.642 2.042 0.729 0.887 1.000 1.000 CA 1.509 15 residues pruned to eliminate duplicates Z: 8 18.898 2.068 0.755 0.784 1.000 0.714 CA 1.533 8 residues pruned to eliminate duplicates Z: 11 18.480 1.940 0.494 0.863 1.000 1.000 CA 1.480 11 residues pruned to eliminate duplicates Z: 28 38.610 2.104 0.671 0.888 0.963 0.889 CA 1.581 28 residues pruned to eliminate duplicates Z: 16 29.745 2.070 0.942 0.889 0.933 0.867 CA 1.474 16 residues pruned to eliminate duplicates Z: 14 46.341 2.360 0.983 0.932 1.000 0.923 CA 1.918 16 residues pruned to eliminate duplicates Z: 87 50.180 2.153 0.620 0.552 0.919 0.605 CB 1.604 25 residues pruned to eliminate duplicates Z: 20 23.404 1.790 0.517 0.916 1.000 0.842 CB 1.396 20 residues pruned to eliminate duplicates Z: 28 60.520 2.336 1.073 0.931 0.963 0.630 CA 1.745 28 residues pruned to eliminate duplicates Z: 14 20.472 1.811 0.663 0.907 1.000 0.923 CA 1.340 Z: 12 25.177 1.949 0.912 0.894 1.000 0.909 N 1.461 12 residues pruned to eliminate duplicates Z: 68 39.437 2.224 0.608 0.487 0.821 0.537 CB 1.664 68 residues pruned to eliminate duplicates Z: 19 36.511 2.040 0.925 0.813 1.000 0.611 CA 1.668 19 residues pruned to eliminate duplicates Z: 28 59.988 2.355 0.979 0.928 1.000 0.741 CA 1.734 28 residues pruned to eliminate duplicates Z: 16 32.912 2.067 1.061 0.861 1.000 0.667 CA 1.466 16 residues pruned to eliminate duplicates Z: 107 57.755 2.133 0.724 0.599 0.934 0.623 CB 1.487 107 residues pruned to eliminate duplicates Z: 17 11.604 1.810 0.263 0.490 1.000 0.625 CB 1.282 13 residues pruned to eliminate duplicates Z: 11 21.036 1.931 0.679 0.841 1.000 0.800 CA 1.529 10 residues pruned to eliminate duplicates Z: 18 30.296 2.102 0.974 0.902 1.000 0.824 CB 1.263 14 residues pruned to eliminate duplicates Z: 64 33.909 2.172 0.633 0.408 0.857 0.508 CB 1.549 64 residues pruned to eliminate duplicates Z: 23 32.881 2.158 0.649 0.928 0.864 0.545 CB 1.597 23 residues pruned to eliminate duplicates Z: 11 14.446 1.761 0.487 0.773 1.000 0.800 CB 1.370 11 residues pruned to eliminate duplicates Z: 7 22.471 2.332 0.691 0.876 1.000 0.833 CA 1.691 7 residues pruned to eliminate duplicates Z: 12 19.756 1.976 0.473 0.844 1.000 0.818 CA 1.523 12 residues pruned to eliminate duplicates Z: 9 22.240 2.311 0.598 0.822 1.000 1.000 CA 1.610 9 residues pruned to eliminate duplicates Z: 11 14.062 2.001 0.095 0.717 1.000 0.700 CA 1.667 11 residues pruned to eliminate duplicates Z: 18 30.293 2.058 0.708 0.760 1.000 0.765 CA 1.658 18 residues pruned to eliminate duplicates Z: 16 19.287 2.142 0.325 0.843 1.000 0.800 CB 1.306 16 residues pruned to eliminate duplicates Z: 10 19.209 2.065 0.497 0.767 1.000 0.667 N 1.635 10 residues pruned to eliminate duplicates Z: 6 7.345 1.513 0.612 0.829 1.000 0.800 CB 1.013 6 residues pruned to eliminate duplicates Z: 6 12.879 2.301 0.206 0.756 1.000 1.000 CA 1.652 6 residues pruned to eliminate duplicates Z: 22 21.174 1.796 0.496 0.692 1.000 0.714 CB 1.442 16 residues pruned to eliminate duplicates Z: 60 47.838 2.213 0.795 0.568 0.949 0.593 CB 1.547 60 residues pruned to eliminate duplicates Z: 28 61.014 2.386 0.990 0.939 0.963 0.704 CB 1.783 28 residues pruned to eliminate duplicates Z: 19 38.813 2.034 1.139 0.777 0.944 0.667 CA 1.744 19 residues pruned to eliminate duplicates Z: 17 19.200 1.912 0.460 0.895 1.000 0.938 CB 1.233 17 residues pruned to eliminate duplicates Z: 9 15.842 1.868 0.536 0.803 1.000 0.875 CA 1.498 9 residues pruned to eliminate duplicates Z: 9 22.606 2.179 0.975 0.914 1.000 0.750 CB 1.313 9 residues pruned to eliminate duplicates Z: 92 41.901 2.113 0.510 0.541 0.857 0.637 CB 1.542 92 residues pruned to eliminate duplicates Z: 22 22.524 1.789 0.628 0.906 0.905 0.667 CB 1.326 21 residues pruned to eliminate duplicates Z: 29 37.090 1.997 0.910 0.886 0.893 0.464 CB 1.485 27 residues pruned to eliminate duplicates Z: 12 22.519 1.972 0.632 0.886 1.000 0.818 CB 1.522 12 residues pruned to eliminate duplicates Z: 30 31.238 2.109 0.937 0.715 0.931 0.690 CB 1.255 22 residues pruned to eliminate duplicates Z: 27 38.816 2.111 0.623 0.909 0.962 0.846 CA 1.641 27 residues pruned to eliminate duplicates Z: 17 44.398 2.179 1.147 0.791 1.000 0.500 CA 1.838 18 residues pruned to eliminate duplicates Z: 9 20.254 2.056 0.643 0.858 1.000 0.750 CA 1.561 9 residues pruned to eliminate duplicates Z: 12 10.508 1.607 0.494 0.819 0.909 0.818 CB 1.100 12 residues pruned to eliminate duplicates Z: 52 46.042 2.053 0.726 0.708 0.961 0.667 CB 1.567 52 residues pruned to eliminate duplicates Z: 27 69.495 2.420 1.190 0.935 1.000 0.846 CB 1.793 27 residues pruned to eliminate duplicates Z: 11 26.976 2.206 0.695 0.848 1.000 0.800 CB 1.692 11 residues pruned to eliminate duplicates Z: 14 16.189 1.949 0.376 0.802 0.923 0.846 CB 1.394 14 residues pruned to eliminate duplicates Z: 14 21.029 2.020 0.724 0.777 0.923 0.769 CB 1.420 14 residues pruned to eliminate duplicates Z: 9 15.281 1.888 1.062 0.881 0.750 0.375 CB 1.340 Z: 61 45.130 2.092 0.726 0.661 0.933 0.750 CB 1.490 61 residues pruned to eliminate duplicates Z: 92 56.667 2.135 0.813 0.604 0.956 0.527 CB 1.455 95 residues pruned to eliminate duplicates Z: 45 60.866 2.273 0.909 0.825 0.886 0.636 CB 1.800 45 residues pruned to eliminate duplicates Z: 14 19.383 1.842 0.589 0.874 1.000 0.769 CA 1.337 14 residues pruned to eliminate duplicates Z: 13 18.192 1.924 0.600 0.840 0.917 0.667 CB 1.388 13 residues pruned to eliminate duplicates Z: 16 28.233 2.078 0.861 0.922 1.000 0.733 CA 1.325 16 residues pruned to eliminate duplicates Z: 28 61.276 2.361 1.213 0.926 0.926 0.481 CB 1.709 28 residues pruned to eliminate duplicates Z: 11 15.639 2.177 0.475 0.815 0.900 0.700 CB 1.301 11 residues pruned to eliminate duplicates Z: 15 33.843 2.048 0.993 0.870 1.000 0.786 CA 1.617 15 residues pruned to eliminate duplicates Z: 19 26.553 1.935 0.572 0.926 1.000 0.833 CB 1.443 19 residues pruned to eliminate duplicates Z: 6 7.159 2.042 0.308 0.794 0.600 0.600 CB 1.544 6 residues pruned to eliminate duplicates Z: 11 22.650 1.921 1.079 0.855 1.000 0.500 CB 1.324 11 residues pruned to eliminate duplicates Z: 14 15.986 1.755 0.531 0.915 1.000 0.846 CB 1.166 Z: 27 51.102 2.140 1.056 0.949 0.923 0.308 CA 1.704 30 residues pruned to eliminate duplicates Z: 13 43.279 2.374 0.965 0.933 1.000 0.833 CA 1.869 13 residues pruned to eliminate duplicates Z: 10 18.988 1.827 0.790 0.896 1.000 0.556 CA 1.387 10 residues pruned to eliminate duplicates Z: 25 27.058 2.132 0.832 0.622 0.875 0.708 CB 1.440 25 residues pruned to eliminate duplicates Z: 17 21.566 2.135 0.412 0.887 1.000 0.875 CB 1.290 17 residues pruned to eliminate duplicates Z: 12 21.489 1.972 0.626 0.796 1.000 0.818 CB 1.559 13 residues pruned to eliminate duplicates Z: 16 16.241 2.075 0.486 0.555 0.800 0.600 CB 1.612 16 residues pruned to eliminate duplicates Z: 30 36.413 2.010 0.731 0.875 0.931 0.621 CA 1.518 30 residues pruned to eliminate duplicates Z: 13 19.551 1.844 0.658 0.796 1.000 0.583 CB 1.424 12 residues pruned to eliminate duplicates Z: 44 36.263 2.226 0.692 0.512 0.884 0.465 CB 1.642 44 residues pruned to eliminate duplicates Z: 11 22.564 1.878 0.947 0.791 1.000 0.800 CA 1.512 11 residues pruned to eliminate duplicates Z: 49 42.184 2.274 0.629 0.607 0.854 0.604 CB 1.738 49 residues pruned to eliminate duplicates Z: 57 41.675 2.066 0.652 0.650 0.929 0.732 CB 1.528 57 residues pruned to eliminate duplicates Z: 12 14.928 1.760 0.521 0.898 1.000 1.000 CB 1.202 12 residues pruned to eliminate duplicates Z: 18 24.573 2.077 0.628 0.882 1.000 0.765 CA 1.276 18 residues pruned to eliminate duplicates Z: 43 34.326 2.111 0.725 0.656 0.929 0.595 CB 1.356 42 residues pruned to eliminate duplicates Z: 6 6.029 1.791 0.125 0.666 1.000 0.800 CB 1.149 Z: 10 15.266 1.874 0.394 0.906 1.000 0.778 CA 1.386 10 residues pruned to eliminate duplicates Z: 9 12.452 1.759 0.189 0.896 1.000 0.875 O 1.507 9 residues pruned to eliminate duplicates Z: 13 19.645 1.937 0.762 0.891 1.000 0.750 CB 1.195 15 residues pruned to eliminate duplicates Z: 11 11.664 1.501 0.447 0.904 1.000 1.000 CB 1.210 Z: 20 24.714 1.783 0.623 0.934 1.000 0.842 CB 1.366 15 residues pruned to eliminate duplicates Z: 15 41.291 2.221 1.110 0.934 0.929 0.857 N 1.768 15 residues pruned to eliminate duplicates Z: 9 11.899 1.898 0.317 0.830 0.875 0.750 O 1.445 9 residues pruned to eliminate duplicates Z: 27 42.648 2.138 0.773 0.943 0.962 0.615 CA 1.590 27 residues pruned to eliminate duplicates Z: 15 42.380 2.109 1.216 0.932 1.000 0.643 CB 1.693 25 residues pruned to eliminate duplicates Z: 22 27.478 2.098 0.340 0.907 1.000 0.619 CA 1.516 22 residues pruned to eliminate duplicates Z: 14 39.046 2.342 1.240 0.869 1.000 0.615 CB 1.508 15 residues pruned to eliminate duplicates Z: 18 31.722 2.096 1.139 0.798 0.824 0.353 CB 1.605 18 residues pruned to eliminate duplicates Z: 6 10.423 2.089 0.507 0.681 1.000 0.400 CB 1.255 6 residues pruned to eliminate duplicates Z: 8 16.517 2.321 0.434 0.854 1.000 0.857 CA 1.385 8 residues pruned to eliminate duplicates Z: 7 12.460 1.856 0.644 0.794 0.833 0.500 N 1.547 7 residues pruned to eliminate duplicates Z: 21 25.812 1.828 0.636 0.885 1.000 0.600 CB 1.393 21 residues pruned to eliminate duplicates Z: 28 56.817 2.358 1.084 0.906 0.963 0.519 CB 1.644 28 residues pruned to eliminate duplicates Z: 20 21.605 1.753 0.540 0.915 0.947 0.895 CB 1.369 20 residues pruned to eliminate duplicates Z: 16 30.498 2.059 0.930 0.863 0.933 0.867 CA 1.557 16 residues pruned to eliminate duplicates Z: 33 31.206 2.081 0.900 0.657 0.844 0.531 CB 1.429 33 residues pruned to eliminate duplicates Z: 58 37.641 2.023 0.521 0.641 0.930 0.667 CB 1.527 58 residues pruned to eliminate duplicates Z: 13 15.215 1.578 0.509 0.858 1.000 0.417 CB 1.358 11 residues pruned to eliminate duplicates Z: 27 42.677 2.129 0.827 0.916 0.962 0.577 CA 1.580 27 residues pruned to eliminate duplicates Z: 35 18.570 1.771 0.633 0.513 0.882 0.559 CB 1.232 26 residues pruned to eliminate duplicates Z: 16 35.117 2.123 0.974 0.915 1.000 0.600 CA 1.529 16 residues pruned to eliminate duplicates Z: 16 26.208 2.197 0.765 0.918 1.000 0.867 CB 1.231 16 residues pruned to eliminate duplicates Z: 7 16.280 2.316 0.269 0.686 1.000 0.667 CB 1.907 7 residues pruned to eliminate duplicates Z: 10 17.012 1.830 0.715 0.800 1.000 0.444 CA 1.391 10 residues pruned to eliminate duplicates Z: 19 17.703 1.835 0.674 0.681 1.000 0.556 CB 1.150 14 residues pruned to eliminate duplicates Z: 51 40.778 2.058 0.738 0.615 0.940 0.660 CB 1.538 51 residues pruned to eliminate duplicates Z: 16 19.601 1.974 0.806 0.883 0.933 0.800 CA 1.100 16 residues pruned to eliminate duplicates Z: 17 23.730 2.180 0.638 0.902 1.000 0.562 CB 1.185 17 residues pruned to eliminate duplicates Z: 15 28.871 2.104 0.923 0.912 1.000 0.786 CA 1.350 15 residues pruned to eliminate duplicates Z: 11 16.996 2.016 0.382 0.865 1.000 0.900 CB 1.413 11 residues pruned to eliminate duplicates Z: 14 18.390 1.970 0.721 0.795 0.923 0.846 CB 1.259 14 residues pruned to eliminate duplicates Z: 17 27.398 2.164 0.749 0.882 1.000 0.812 CB 1.310 17 residues pruned to eliminate duplicates Z: 46 64.107 2.280 1.016 0.815 0.911 0.578 CB 1.735 46 residues pruned to eliminate duplicates Z: 59 37.934 2.225 0.575 0.466 0.931 0.621 CB 1.580 59 residues pruned to eliminate duplicates Z: 70 38.784 2.137 0.606 0.543 0.899 0.565 CB 1.452 70 residues pruned to eliminate duplicates Z: 7 3.881 1.464 0.623 0.266 0.833 0.667 N 1.044 Z: 19 25.647 1.820 0.609 0.924 1.000 0.833 CB 1.450 19 residues pruned to eliminate duplicates Z: 21 22.238 1.822 0.436 0.904 0.950 0.700 CB 1.425 21 residues pruned to eliminate duplicates Z: 20 24.461 1.891 0.583 0.901 0.947 0.789 CB 1.413 20 residues pruned to eliminate duplicates Z: 14 45.926 2.326 1.093 0.948 1.000 0.923 N 1.806 14 residues pruned to eliminate duplicates Z: 20 26.719 1.903 0.645 0.928 1.000 0.737 CB 1.371 20 residues pruned to eliminate duplicates Z: 27 43.741 2.143 0.782 0.944 0.962 0.577 CA 1.618 27 residues pruned to eliminate duplicates Z: 60 44.933 2.095 0.625 0.676 0.949 0.712 CB 1.540 60 residues pruned to eliminate duplicates Z: 16 24.511 2.063 0.736 0.922 0.867 0.467 CA 1.434 15 residues pruned to eliminate duplicates Z: 37 34.580 2.040 0.512 0.705 0.972 0.722 CB 1.595 37 residues pruned to eliminate duplicates Z: 20 23.289 1.830 0.459 0.921 0.947 0.895 CB 1.487 20 residues pruned to eliminate duplicates Z: 9 10.459 1.937 0.174 0.777 0.875 0.500 CA 1.455 9 residues pruned to eliminate duplicates Z: 31 22.668 2.052 0.617 0.415 0.933 0.433 CB 1.460 31 residues pruned to eliminate duplicates Z: 7 9.154 1.620 0.237 0.848 1.000 0.500 CB 1.383 7 residues pruned to eliminate duplicates Z: 16 23.092 1.967 0.716 0.926 1.000 0.933 CB 1.239 16 residues pruned to eliminate duplicates Z: 28 45.729 2.072 0.942 0.933 0.926 0.444 CB 1.648 26 residues pruned to eliminate duplicates Z: 21 29.253 2.138 0.906 0.660 0.900 0.500 CB 1.538 19 residues pruned to eliminate duplicates Z: 10 20.968 2.230 0.571 0.895 0.889 0.667 CB 1.609 10 residues pruned to eliminate duplicates Z: 16 21.362 2.013 0.511 0.921 1.000 1.000 CB 1.276 16 residues pruned to eliminate duplicates Z: 39 37.200 2.134 0.832 0.657 0.921 0.605 CB 1.448 38 residues pruned to eliminate duplicates Z: 57 47.411 2.071 0.827 0.696 0.964 0.571 CB 1.452 57 residues pruned to eliminate duplicates Z: 14 18.961 1.810 0.705 0.865 1.000 0.769 CA 1.249 14 residues pruned to eliminate duplicates Z: 16 30.370 2.041 1.193 0.877 0.867 0.667 CA 1.468 16 residues pruned to eliminate duplicates Z: 28 33.426 2.096 0.498 0.924 0.963 0.815 CA 1.494 28 residues pruned to eliminate duplicates Z: 11 21.796 2.022 1.006 0.912 0.800 0.400 CB 1.504 11 residues pruned to eliminate duplicates Z: 28 39.771 2.123 0.679 0.947 0.963 0.704 CA 1.541 28 residues pruned to eliminate duplicates Z: 18 22.545 2.085 0.523 0.894 0.941 0.882 CB 1.313 18 residues pruned to eliminate duplicates Z: 16 28.484 2.073 0.800 0.883 0.933 0.667 CA 1.527 16 residues pruned to eliminate duplicates Z: 9 8.413 2.097 0.278 0.342 1.000 0.500 CB 1.319 Z: 19 21.158 1.803 0.421 0.919 1.000 0.778 CB 1.371 19 residues pruned to eliminate duplicates Z: 17 25.672 2.002 0.768 0.912 1.000 0.938 CB 1.284 17 residues pruned to eliminate duplicates Z: 28 21.486 2.092 0.538 0.479 0.889 0.630 CB 1.475 12 residues pruned to eliminate duplicates Z: 52 40.051 2.179 0.825 0.563 0.882 0.549 CB 1.504 50 residues pruned to eliminate duplicates Z: 51 21.240 1.992 0.577 0.382 0.880 0.500 CB 1.231 51 residues pruned to eliminate duplicates Z: 6 3.665 1.466 0.325 0.666 0.600 0.400 CA 1.207 6 residues pruned to eliminate duplicates Z: 10 15.760 1.842 0.471 0.884 1.000 0.889 CA 1.401 10 residues pruned to eliminate duplicates Z: 12 23.440 2.015 0.760 0.857 1.000 0.909 CB 1.469 12 residues pruned to eliminate duplicates Z: 11 24.820 1.996 1.006 0.917 1.000 0.900 CB 1.383 11 residues pruned to eliminate duplicates Z: 28 34.034 2.113 0.569 0.915 0.963 0.741 CA 1.449 28 residues pruned to eliminate duplicates Z: 20 20.629 1.768 0.436 0.924 0.947 0.947 CB 1.382 20 residues pruned to eliminate duplicates Z: 19 36.278 2.019 1.063 0.768 0.944 0.556 CB 1.714 19 residues pruned to eliminate duplicates Z: 18 36.141 2.146 0.913 0.813 0.941 0.647 CB 1.728 18 residues pruned to eliminate duplicates Z: 6 3.643 1.623 0.623 0.422 0.800 0.600 CB 0.838 Z: 16 34.863 2.279 0.850 0.909 1.000 0.800 CB 1.515 16 residues pruned to eliminate duplicates Z: 83 43.210 2.130 0.544 0.552 0.878 0.598 CB 1.571 83 residues pruned to eliminate duplicates Z: 15 14.723 1.688 0.555 0.791 0.929 0.500 CB 1.251 Z: 9 14.365 1.946 0.283 0.889 1.000 0.750 CA 1.464 9 residues pruned to eliminate duplicates Z: 7 13.714 2.226 0.261 0.881 1.000 1.000 CB 1.444 7 residues pruned to eliminate duplicates Z: 17 33.372 2.023 1.065 0.903 0.938 0.625 CA 1.518 17 residues pruned to eliminate duplicates Z: 11 17.836 1.959 0.644 0.819 1.000 0.700 CB 1.328 11 residues pruned to eliminate duplicates Z: 11 17.823 1.944 0.564 0.921 1.000 0.900 CB 1.304 10 residues pruned to eliminate duplicates Z: 17 18.541 2.252 0.235 0.566 0.938 0.750 CB 1.668 18 residues pruned to eliminate duplicates Z: 8 17.918 2.001 0.834 0.734 1.000 0.429 CA 1.496 8 residues pruned to eliminate duplicates Z: 13 20.822 2.005 0.568 0.841 1.000 0.750 CA 1.426 14 residues pruned to eliminate duplicates Z: 16 31.242 2.071 0.912 0.924 0.933 0.800 CA 1.533 16 residues pruned to eliminate duplicates Z: 28 34.170 2.043 0.663 0.910 0.963 0.778 CA 1.425 28 residues pruned to eliminate duplicates Z: 10 13.960 1.985 0.552 0.848 1.000 0.556 CB 1.120 10 residues pruned to eliminate duplicates Z: 6 3.737 1.811 0.125 0.570 0.800 0.400 CB 0.959 Z: 12 18.112 2.012 0.451 0.888 1.000 1.000 CB 1.347 12 residues pruned to eliminate duplicates Z: 17 24.545 1.944 0.960 0.912 1.000 0.688 CA 1.141 17 residues pruned to eliminate duplicates Z: 11 10.261 1.827 0.609 0.738 0.600 0.500 CB 1.486 11 residues pruned to eliminate duplicates Z: 19 19.762 1.797 0.528 0.924 0.944 0.889 CB 1.262 19 residues pruned to eliminate duplicates Z: 11 7.738 2.004 0.488 0.344 0.800 0.600 CB 1.215 11 residues pruned to eliminate duplicates Z: 48 33.484 2.129 0.745 0.542 0.830 0.468 CB 1.520 48 residues pruned to eliminate duplicates Z: 14 16.424 1.870 0.506 0.817 0.923 0.769 CB 1.330 14 residues pruned to eliminate duplicates Z: 17 24.605 1.941 0.934 0.900 1.000 0.938 CB 1.171 17 residues pruned to eliminate duplicates Z: 7 9.275 1.849 0.153 0.867 0.833 0.667 O 1.559 7 residues pruned to eliminate duplicates Z: 8 5.068 1.549 0.711 0.313 0.857 0.571 CB 1.037 Z: 19 19.869 1.848 0.704 0.723 1.000 0.667 CB 1.216 19 residues pruned to eliminate duplicates Z: 16 30.838 2.064 0.862 0.913 1.000 0.933 CA 1.466 16 residues pruned to eliminate duplicates Z: 6 8.825 1.900 0.736 0.429 1.000 0.600 CA 1.287 6 residues pruned to eliminate duplicates Z: 12 20.500 1.894 0.648 0.854 1.000 0.818 CA 1.463 12 residues pruned to eliminate duplicates Z: 20 22.460 1.788 0.579 0.898 0.947 0.737 CB 1.378 20 residues pruned to eliminate duplicates Z: 26 21.210 1.982 0.791 0.646 0.800 0.480 CB 1.303 22 residues pruned to eliminate duplicates Z: 8 6.152 1.510 1.051 0.340 0.714 0.429 CA 1.251 Z: 59 41.956 2.209 0.721 0.572 0.897 0.690 CB 1.508 59 residues pruned to eliminate duplicates Z: 28 36.907 2.083 0.591 0.917 0.963 0.704 CA 1.570 28 residues pruned to eliminate duplicates Z: 23 18.544 1.951 0.839 0.574 0.909 0.455 CB 1.128 23 residues pruned to eliminate duplicates Z: 14 31.547 2.255 0.413 0.925 1.000 0.846 CB 1.927 14 residues pruned to eliminate duplicates Z: 61 42.088 2.064 0.595 0.677 0.950 0.800 CB 1.477 61 residues pruned to eliminate duplicates Z: 53 40.156 2.042 0.657 0.684 0.885 0.596 CB 1.571 53 residues pruned to eliminate duplicates Z: 12 21.878 1.942 0.657 0.909 1.000 0.909 CA 1.455 12 residues pruned to eliminate duplicates Z: 6 3.406 1.817 0.108 0.416 0.800 0.400 CB 1.033 Z: 14 12.156 1.731 0.394 0.856 0.923 0.615 CB 1.116 14 residues pruned to eliminate duplicates 10 1.787 1.399 0.365 0.153 0.667 0.111 CB 0.716 ? Z: 13 18.510 2.036 0.589 0.758 1.000 0.750 CB 1.313 13 residues pruned to eliminate duplicates Z: 8 22.198 2.201 0.809 0.896 1.000 0.857 CA 1.509 8 residues pruned to eliminate duplicates Z: 16 23.854 2.224 0.609 0.911 1.000 0.933 CB 1.220 16 residues pruned to eliminate duplicates Z: 15 37.984 2.187 1.002 0.891 1.000 0.714 N 1.667 15 residues pruned to eliminate duplicates Z: 12 17.935 1.933 0.718 0.804 1.000 0.636 CB 1.249 12 residues pruned to eliminate duplicates Z: 10 12.419 1.775 0.595 0.723 0.889 0.778 CB 1.345 10 residues pruned to eliminate duplicates Z: 8 3.843 1.716 0.658 0.519 1.000 0.571 CB 0.501 8 residues pruned to eliminate duplicates Z: 21 23.387 1.816 0.556 0.913 1.000 0.700 CB 1.310 21 residues pruned to eliminate duplicates Z: 11 12.340 1.674 0.583 0.864 0.800 0.600 CB 1.350 11 residues pruned to eliminate duplicates Z: 12 25.421 1.948 0.892 0.892 1.000 0.909 N 1.494 12 residues pruned to eliminate duplicates Z: 19 36.230 2.078 1.036 0.933 1.000 0.333 CA 1.408 19 residues pruned to eliminate duplicates Z: 14 18.502 1.816 0.578 0.877 1.000 0.692 CA 1.301 14 residues pruned to eliminate duplicates Z: 8 8.380 1.788 0.773 0.387 0.857 0.571 CB 1.314 Z: 42 27.308 2.119 0.640 0.424 0.854 0.512 CB 1.555 42 residues pruned to eliminate duplicates Z: 13 11.626 1.627 0.321 0.867 0.917 0.750 CB 1.246 13 residues pruned to eliminate duplicates Z: 10 19.978 1.882 0.822 0.902 1.000 0.778 N 1.385 10 residues pruned to eliminate duplicates Z: 16 30.649 1.994 1.181 0.923 1.000 0.733 CB 1.278 16 residues pruned to eliminate duplicates Z: 51 45.343 2.093 0.633 0.718 0.960 0.580 CB 1.604 51 residues pruned to eliminate duplicates Z: 21 26.033 1.817 0.538 0.917 1.000 0.800 CB 1.470 21 residues pruned to eliminate duplicates Z: 7 9.391 1.690 0.129 0.887 1.000 1.000 CA 1.449 7 residues pruned to eliminate duplicates Z: 56 37.648 2.041 0.610 0.627 0.855 0.600 CB 1.605 56 residues pruned to eliminate duplicates Z: 8 7.637 1.505 0.968 0.734 0.857 0.571 CB 0.921 8 residues pruned to eliminate duplicates Z: 28 41.025 2.096 0.756 0.934 1.000 0.815 CA 1.496 28 residues pruned to eliminate duplicates Z: 7 9.023 1.677 0.561 0.757 1.000 0.500 CB 1.120 8 residues pruned to eliminate duplicates Z: 13 21.790 1.842 0.770 0.824 1.000 0.583 CB 1.458 13 residues pruned to eliminate duplicates Z: 10 12.928 1.797 0.734 0.871 0.889 0.556 CA 1.134 10 residues pruned to eliminate duplicates Z: 46 37.407 2.170 0.803 0.478 0.911 0.467 CB 1.599 46 residues pruned to eliminate duplicates Z: 18 25.532 1.952 0.562 0.908 1.000 1.000 CA 1.443 18 residues pruned to eliminate duplicates Z: 49 42.316 2.077 0.706 0.652 0.938 0.604 CB 1.596 49 residues pruned to eliminate duplicates Z: 36 31.736 2.115 0.635 0.616 0.914 0.686 CB 1.520 36 residues pruned to eliminate duplicates Z: 19 28.319 1.948 0.680 0.923 1.000 0.833 CB 1.433 19 residues pruned to eliminate duplicates Z: 30 30.156 2.075 0.690 0.666 0.931 0.793 CB 1.470 30 residues pruned to eliminate duplicates Z: 6 2.880 1.492 0.576 0.385 1.000 0.400 N 0.619 Z: 10 12.898 1.761 0.859 0.802 0.778 0.444 CA 1.297 11 residues pruned to eliminate duplicates Z: 69 65.229 2.171 0.988 0.784 0.971 0.588 CB 1.471 120 residues pruned to eliminate duplicates Z: 10 12.422 1.864 0.301 0.737 1.000 0.556 CB 1.381 10 residues pruned to eliminate duplicates Z: 13 24.568 1.910 1.009 0.901 1.000 0.750 CB 1.319 13 residues pruned to eliminate duplicates Z: 16 31.999 2.074 1.087 0.923 1.000 0.600 CA 1.342 16 residues pruned to eliminate duplicates Z: 19 17.027 1.954 0.709 0.578 0.833 0.389 CB 1.338 19 residues pruned to eliminate duplicates Z: 26 65.336 2.431 1.191 0.932 0.960 0.800 CB 1.784 26 residues pruned to eliminate duplicates Z: 91 51.949 2.110 0.772 0.592 0.933 0.600 CB 1.436 91 residues pruned to eliminate duplicates Z: 15 32.836 2.238 1.032 0.875 1.000 0.714 CB 1.404 15 residues pruned to eliminate duplicates Z: 13 23.161 1.943 0.692 0.915 1.000 0.833 CB 1.437 13 residues pruned to eliminate duplicates Z: 7 4.742 1.411 0.501 0.715 0.833 0.833 N 0.903 7 residues pruned to eliminate duplicates Z: 10 23.905 2.279 0.822 0.802 0.889 0.444 CB 1.658 10 residues pruned to eliminate duplicates Z: 11 18.494 2.107 0.483 0.837 1.000 0.500 CB 1.400 11 residues pruned to eliminate duplicates Z: 9 14.091 1.929 0.535 0.769 0.875 0.500 CB 1.516 9 residues pruned to eliminate duplicates Z: 28 32.732 2.075 0.462 0.929 0.963 0.741 CA 1.509 28 residues pruned to eliminate duplicates Z: 66 69.352 2.261 0.968 0.731 0.923 0.677 CA 1.701 66 residues pruned to eliminate duplicates Z: 7 8.620 1.651 0.453 0.712 1.000 1.000 CB 1.210 Z: 16 12.534 1.642 0.338 0.779 0.867 0.467 CB 1.329 16 residues pruned to eliminate duplicates Z: 15 18.904 1.753 0.588 0.883 1.000 0.714 CA 1.312 15 residues pruned to eliminate duplicates Z: 15 32.385 2.153 0.899 0.926 0.929 0.929 CA 1.599 15 residues pruned to eliminate duplicates Z: 9 14.560 1.863 0.465 0.868 1.000 0.750 CB 1.378 9 residues pruned to eliminate duplicates Z: 13 14.786 1.695 0.318 0.896 0.917 0.583 CA 1.493 13 residues pruned to eliminate duplicates Z: 83 44.994 2.024 0.664 0.609 0.915 0.671 CB 1.455 19 residues pruned to eliminate duplicates Z: 13 20.682 1.986 1.032 0.764 0.917 0.583 CB 1.277 13 residues pruned to eliminate duplicates Z: 16 19.549 2.213 0.275 0.915 1.000 0.933 CB 1.264 16 residues pruned to eliminate duplicates Z: 7 3.311 1.812 0.393 0.423 0.833 0.500 CB 0.696 7 residues pruned to eliminate duplicates Z: 9 8.020 1.804 0.624 0.760 0.750 0.500 CA 1.024 Z: 33 33.344 2.047 0.585 0.697 0.969 0.781 CB 1.566 33 residues pruned to eliminate duplicates Z: 7 5.548 1.867 0.704 0.860 0.500 0.333 CA 1.047 8 residues pruned to eliminate duplicates Z: 12 7.513 1.825 0.613 0.473 0.909 0.455 CB 0.870 12 residues pruned to eliminate duplicates Z: 15 33.985 2.150 0.963 0.878 1.000 0.643 CA 1.562 15 residues pruned to eliminate duplicates Z: 14 37.185 2.188 1.385 0.937 1.000 0.923 CB 1.376 14 residues pruned to eliminate duplicates Z: 9 7.286 1.697 0.452 0.697 0.750 0.375 CB 1.164 9 residues pruned to eliminate duplicates Z: 12 24.781 2.084 0.931 0.854 1.000 0.818 CB 1.371 12 residues pruned to eliminate duplicates Z: 6 14.175 2.038 0.556 0.856 1.000 0.400 CB 1.474 6 residues pruned to eliminate duplicates Z: 6 2.991 1.627 0.285 0.298 0.800 0.600 CB 1.003 Z: 28 62.343 2.383 1.129 0.898 0.963 0.556 CB 1.757 28 residues pruned to eliminate duplicates Z: 16 21.600 2.158 0.482 0.639 1.000 0.600 CA 1.530 17 residues pruned to eliminate duplicates Z: 13 18.493 1.661 0.594 0.906 1.000 0.750 O 1.434 13 residues pruned to eliminate duplicates Z: 27 21.260 1.955 0.699 0.606 0.885 0.423 CB 1.282 27 residues pruned to eliminate duplicates Z: 10 20.738 1.942 0.886 0.863 1.000 0.778 CA 1.385 11 residues pruned to eliminate duplicates Z: 30 38.005 2.118 0.872 0.648 0.966 0.448 CB 1.606 30 residues pruned to eliminate duplicates Z: 32 31.120 2.149 0.768 0.578 0.871 0.581 CB 1.568 32 residues pruned to eliminate duplicates Z: 6 6.883 1.670 0.843 0.652 0.800 0.600 N 1.086 Z: 20 22.860 1.747 0.767 0.913 0.947 0.632 CB 1.269 20 residues pruned to eliminate duplicates Z: 91 47.539 2.104 0.650 0.528 0.900 0.511 CB 1.561 91 residues pruned to eliminate duplicates Z: 9 5.842 1.578 0.183 0.426 0.875 0.500 O 1.366 Z: 20 22.131 1.782 0.614 0.926 0.947 0.737 CB 1.307 20 residues pruned to eliminate duplicates Z: 21 28.175 1.815 0.826 0.897 1.000 0.600 CB 1.360 21 residues pruned to eliminate duplicates Z: 8 9.268 1.889 0.810 0.625 0.857 0.714 CB 1.063 8 residues pruned to eliminate duplicates Z: 11 11.725 1.686 0.238 0.902 0.900 0.600 CB 1.409 11 residues pruned to eliminate duplicates Z: 16 28.861 2.075 0.727 0.908 1.000 0.800 CA 1.478 16 residues pruned to eliminate duplicates Z: 16 23.521 2.038 0.580 0.955 1.000 0.933 CB 1.296 16 residues pruned to eliminate duplicates Z: 10 18.426 2.384 0.372 0.899 1.000 0.889 CB 1.342 10 residues pruned to eliminate duplicates Z: 21 34.489 2.113 0.806 0.934 0.900 0.250 CB 1.566 21 residues pruned to eliminate duplicates Z: 28 63.228 2.374 1.248 0.914 0.926 0.519 CB 1.742 28 residues pruned to eliminate duplicates Z: 100 75.632 2.228 0.928 0.724 0.909 0.626 CB 1.590 100 residues pruned to eliminate duplicates Z: 11 14.777 1.655 0.431 0.917 1.000 0.800 CB 1.392 11 residues pruned to eliminate duplicates Z: 44 27.339 1.997 0.557 0.574 0.930 0.558 CB 1.343 44 residues pruned to eliminate duplicates Z: 19 19.600 1.794 0.468 0.949 0.944 0.889 CB 1.282 19 residues pruned to eliminate duplicates Z: 9 5.267 1.595 0.634 0.332 0.750 0.250 CA 1.146 Z: 15 23.284 2.052 0.673 0.786 0.929 0.643 CA 1.518 15 residues pruned to eliminate duplicates Z: 7 14.201 2.052 0.684 0.773 0.833 0.667 CB 1.581 7 residues pruned to eliminate duplicates Z: 9 6.118 1.706 0.302 0.825 0.750 0.625 CB 0.980 Z: 15 18.122 2.010 0.716 0.900 0.929 0.357 CB 1.080 15 residues pruned to eliminate duplicates Z: 6 5.614 1.444 0.988 0.832 1.000 0.800 CA 0.657 6 residues pruned to eliminate duplicates Z: 28 19.860 2.033 0.551 0.467 0.889 0.556 CB 1.411 28 residues pruned to eliminate duplicates Z: 19 29.532 1.947 0.639 0.939 1.000 0.778 CB 1.516 19 residues pruned to eliminate duplicates Z: 20 24.538 1.759 0.729 0.921 1.000 0.684 CB 1.302 20 residues pruned to eliminate duplicates Z: 17 28.963 2.010 0.787 0.921 1.000 0.875 CA 1.419 17 residues pruned to eliminate duplicates Z: 14 23.505 1.834 0.916 0.893 1.000 0.769 CA 1.332 14 residues pruned to eliminate duplicates Z: 24 22.155 1.962 0.757 0.550 0.870 0.609 CB 1.468 24 residues pruned to eliminate duplicates Z: 25 17.740 1.792 0.655 0.523 0.875 0.708 CB 1.363 22 residues pruned to eliminate duplicates Z: 23 34.897 2.127 0.965 0.718 0.909 0.500 CB 1.607 23 residues pruned to eliminate duplicates Z: 53 37.543 2.064 0.635 0.551 0.942 0.635 CB 1.558 53 residues pruned to eliminate duplicates Z: 19 18.084 1.830 0.625 0.670 0.944 0.444 CB 1.297 19 residues pruned to eliminate duplicates Z: 11 7.527 1.879 0.322 0.626 0.700 0.500 CB 1.216 11 residues pruned to eliminate duplicates Z: 14 20.919 1.822 0.818 0.865 1.000 0.769 CA 1.283 14 residues pruned to eliminate duplicates Z: 12 5.195 1.861 0.242 0.355 0.727 0.455 CB 1.091 12 residues pruned to eliminate duplicates Z: 6 6.444 1.666 0.765 0.526 0.800 0.400 CA 1.194 6 residues pruned to eliminate duplicates Z: 9 8.440 1.821 0.974 0.691 0.750 0.625 CA 0.929 8 residues pruned to eliminate duplicates Z: 6 4.941 1.537 0.849 0.760 0.800 0.600 CB 0.772 Z: 7 9.932 2.015 0.329 0.771 0.833 0.667 N 1.430 7 residues pruned to eliminate duplicates Z: 6 6.684 1.674 0.229 0.829 1.000 1.000 CA 1.093 6 residues pruned to eliminate duplicates Z: 21 7.576 1.688 0.482 0.314 0.700 0.450 CB 1.188 21 residues pruned to eliminate duplicates 6 1.760 1.629 0.001 0.522 0.800 0.600 CB 0.590 ? Z: 11 19.562 1.828 0.780 0.867 1.000 0.700 CA 1.390 11 residues pruned to eliminate duplicates Z: 11 19.979 1.921 0.537 0.853 1.000 0.800 CA 1.582 11 residues pruned to eliminate duplicates Z: 35 72.863 2.420 1.254 0.818 1.000 0.676 CA 1.737 35 residues pruned to eliminate duplicates Z: 25 20.193 1.765 0.425 0.719 1.000 0.708 CB 1.345 25 residues pruned to eliminate duplicates Z: 10 15.511 1.834 0.656 0.796 1.000 0.333 CA 1.314 10 residues pruned to eliminate duplicates Z: 8 8.264 1.415 0.537 0.867 1.000 0.714 CA 1.050 8 residues pruned to eliminate duplicates Z: 17 11.552 1.585 0.358 0.790 0.875 0.750 CB 1.188 15 residues pruned to eliminate duplicates Z: 6 10.649 1.599 0.764 0.789 1.000 0.800 CB 1.311 6 residues pruned to eliminate duplicates Z: 16 24.797 2.155 0.606 0.925 1.000 0.867 CB 1.298 16 residues pruned to eliminate duplicates Z: 13 13.537 1.715 0.116 0.890 1.000 0.833 CB 1.469 13 residues pruned to eliminate duplicates Z: 21 19.821 1.792 0.401 0.899 0.950 0.750 CB 1.329 21 residues pruned to eliminate duplicates Z: 10 11.284 1.967 0.535 0.512 0.778 0.667 CB 1.582 10 residues pruned to eliminate duplicates Z: 13 16.613 1.700 0.482 0.885 0.917 0.583 CB 1.499 13 residues pruned to eliminate duplicates Z: 32 26.896 2.143 0.782 0.434 0.903 0.484 CA 1.500 32 residues pruned to eliminate duplicates 6 1.705 1.573 -0.080 0.472 0.800 0.600 CB 0.678 ? Z: 17 28.878 1.977 1.062 0.920 0.938 0.875 CA 1.330 17 residues pruned to eliminate duplicates Z: 37 37.287 2.053 0.676 0.735 0.972 0.583 CB 1.504 37 residues pruned to eliminate duplicates Z: 9 10.859 1.725 0.823 0.529 1.000 0.875 N 1.187 Z: 16 26.788 2.001 1.128 0.910 0.933 0.733 CB 1.235 16 residues pruned to eliminate duplicates Z: 16 22.563 1.993 0.514 0.840 0.933 0.800 CA 1.543 16 residues pruned to eliminate duplicates Z: 8 10.985 1.776 0.464 0.844 1.000 0.714 CB 1.188 9 residues pruned to eliminate duplicates Z: 8 9.954 1.734 0.590 0.869 0.857 0.714 CB 1.164 8 residues pruned to eliminate duplicates Z: 23 16.701 2.034 0.311 0.565 0.818 0.636 CA 1.533 17 residues pruned to eliminate duplicates Z: 10 18.755 2.142 0.589 0.796 0.889 0.889 CB 1.594 10 residues pruned to eliminate duplicates Z: 16 30.394 2.022 1.045 0.906 1.000 0.733 CA 1.349 16 residues pruned to eliminate duplicates Z: 10 9.420 1.521 0.845 0.724 0.778 0.667 CB 1.175 10 residues pruned to eliminate duplicates Z: 7 7.027 1.778 0.545 0.645 1.000 0.667 CB 0.912 Z: 16 27.798 1.981 1.247 0.903 1.000 0.800 CB 1.150 16 residues pruned to eliminate duplicates Z: 115 70.580 2.106 0.914 0.688 0.930 0.509 CB 1.484 115 residues pruned to eliminate duplicates Z: 12 12.686 1.767 0.420 0.734 1.000 0.727 CA 1.235 12 residues pruned to eliminate duplicates Z: 19 22.664 1.798 0.498 0.916 1.000 0.889 CB 1.401 19 residues pruned to eliminate duplicates Z: 15 24.556 2.167 0.575 0.836 0.857 0.857 CB 1.678 15 residues pruned to eliminate duplicates Z: 57 39.101 2.122 0.619 0.517 0.929 0.750 CB 1.611 57 residues pruned to eliminate duplicates Z: 31 30.783 2.073 0.771 0.688 0.933 0.667 CB 1.380 31 residues pruned to eliminate duplicates Z: 20 9.291 1.681 0.646 0.479 0.789 0.474 CB 0.996 Z: 27 45.063 2.171 0.771 0.927 0.962 0.538 CA 1.675 27 residues pruned to eliminate duplicates Z: 33 16.320 1.916 0.316 0.428 0.938 0.594 CB 1.315 33 residues pruned to eliminate duplicates Z: 17 28.921 2.024 0.758 0.867 1.000 0.750 CA 1.487 17 residues pruned to eliminate duplicates Z: 11 12.231 1.861 0.575 0.471 0.900 0.500 CB 1.509 11 residues pruned to eliminate duplicates Z: 9 15.798 2.091 0.913 0.695 0.875 0.125 CB 1.335 9 residues pruned to eliminate duplicates Z: 54 35.906 2.082 0.608 0.541 0.925 0.604 CB 1.531 54 residues pruned to eliminate duplicates Z: 7 2.071 1.516 -0.055 0.339 1.000 0.667 CB 0.704 Z: 13 14.583 1.736 0.370 0.839 1.000 0.750 CA 1.322 13 residues pruned to eliminate duplicates Z: 18 24.666 1.896 0.747 0.886 1.000 0.706 CB 1.303 18 residues pruned to eliminate duplicates Z: 9 11.943 1.658 0.444 0.832 1.000 0.875 CB 1.324 9 residues pruned to eliminate duplicates Z: 7 4.393 1.589 0.220 0.511 1.000 0.500 CB 0.915 Z: 16 34.048 2.033 1.103 0.890 1.000 0.733 CA 1.479 16 residues pruned to eliminate duplicates Z: 7 2.790 1.544 0.049 0.300 0.667 0.333 CA 1.319 Z: 7 3.988 1.700 0.572 0.651 0.833 0.500 CB 0.635 7 residues pruned to eliminate duplicates Z: 16 15.492 1.647 0.462 0.754 1.000 0.533 CB 1.325 17 residues pruned to eliminate duplicates Z: 9 18.579 1.898 0.771 0.872 1.000 1.000 CA 1.424 9 residues pruned to eliminate duplicates Z: 16 26.437 1.980 0.935 0.931 1.000 0.933 CB 1.245 16 residues pruned to eliminate duplicates Z: 6 8.952 1.641 1.050 0.621 1.000 0.800 N 1.062 6 residues pruned to eliminate duplicates Z: 10 7.314 1.795 0.298 0.499 0.889 0.444 CA 1.178 10 residues pruned to eliminate duplicates Z: 13 22.853 1.929 0.755 0.897 1.000 0.667 CB 1.396 13 residues pruned to eliminate duplicates Z: 35 31.083 2.085 0.680 0.483 0.971 0.588 CA 1.595 35 residues pruned to eliminate duplicates Z: 44 33.159 2.187 0.561 0.529 0.860 0.535 CB 1.673 44 residues pruned to eliminate duplicates Z: 13 12.385 1.652 0.286 0.829 0.917 0.750 O 1.382 13 residues pruned to eliminate duplicates Z: 46 28.511 1.962 0.552 0.532 0.933 0.667 CA 1.449 46 residues pruned to eliminate duplicates Z: 8 19.246 2.069 0.490 0.881 1.000 0.857 CA 1.710 9 residues pruned to eliminate duplicates Z: 14 18.461 1.806 0.793 0.835 0.923 0.615 CA 1.284 14 residues pruned to eliminate duplicates Z: 37 34.225 2.019 0.719 0.666 0.972 0.500 CB 1.450 37 residues pruned to eliminate duplicates Z: 14 38.190 2.349 1.092 0.873 1.000 0.692 CB 1.570 14 residues pruned to eliminate duplicates Z: 13 16.494 1.662 0.630 0.924 0.917 0.667 CB 1.346 13 residues pruned to eliminate duplicates Z: 21 28.553 1.836 0.795 0.909 1.000 0.700 CB 1.375 21 residues pruned to eliminate duplicates Z: 12 12.937 1.741 0.130 0.906 0.909 0.636 CA 1.551 12 residues pruned to eliminate duplicates Z: 17 10.897 1.958 0.541 0.249 0.812 0.438 CB 1.484 17 residues pruned to eliminate duplicates 7 1.802 1.315 0.254 0.415 0.667 0.667 C 0.731 ? Z: 14 15.223 1.641 0.566 0.819 0.923 0.692 CA 1.349 16 residues pruned to eliminate duplicates Z: 6 5.755 1.243 0.949 0.688 1.000 0.400 CA 0.894 6 residues pruned to eliminate duplicates Z: 13 13.785 1.620 0.525 0.878 0.917 0.583 CB 1.275 13 residues pruned to eliminate duplicates Z: 14 16.698 1.658 0.508 0.911 0.923 0.769 CA 1.422 14 residues pruned to eliminate duplicates Z: 17 31.545 2.019 0.816 0.930 1.000 0.688 CA 1.504 17 residues pruned to eliminate duplicates Z: 11 3.194 1.427 0.838 0.123 0.700 0.200 CA 0.883 Z: 6 4.505 1.798 0.639 0.466 0.600 0.600 N 1.180 6 residues pruned to eliminate duplicates Z: 22 30.615 2.073 1.013 0.634 0.810 0.571 CA 1.744 22 residues pruned to eliminate duplicates Z: 59 37.590 2.011 0.732 0.595 0.897 0.672 CB 1.443 59 residues pruned to eliminate duplicates Z: 6 2.387 1.258 0.346 0.482 0.800 0.600 N 0.803 Z: 6 2.329 1.293 0.556 0.688 0.800 0.400 CB 0.545 Z: 13 17.974 1.782 0.456 0.829 1.000 0.833 CA 1.504 13 residues pruned to eliminate duplicates Z: 85 45.288 2.134 0.612 0.561 0.929 0.631 CB 1.458 85 residues pruned to eliminate duplicates Z: 25 57.082 2.308 1.070 0.905 1.000 0.958 CA 1.735 25 residues pruned to eliminate duplicates Z: 7 7.759 1.678 0.277 0.688 1.000 0.667 CB 1.244 6 residues pruned to eliminate duplicates 6 1.688 1.472 0.119 0.442 1.000 0.600 CB 0.486 ? Z: 9 4.409 1.670 0.547 0.468 0.875 0.375 CB 0.713 9 residues pruned to eliminate duplicates Z: 24 31.005 2.042 0.919 0.640 0.870 0.652 CA 1.664 24 residues pruned to eliminate duplicates Z: 15 6.835 1.688 0.301 0.377 0.857 0.429 CB 1.107 Z: 45 62.638 2.262 1.032 0.823 0.886 0.386 CB 1.751 45 residues pruned to eliminate duplicates Z: 20 15.483 1.728 0.394 0.908 0.947 0.632 CB 1.105 20 residues pruned to eliminate duplicates Z: 12 21.457 1.963 0.626 0.860 1.000 0.818 CB 1.490 12 residues pruned to eliminate duplicates Z: 31 20.637 1.994 0.398 0.520 0.867 0.633 CA 1.528 53 residues pruned to eliminate duplicates Z: 90 51.527 2.126 0.676 0.580 0.910 0.685 CB 1.560 90 residues pruned to eliminate duplicates Z: 31 22.767 1.897 0.767 0.568 0.867 0.567 CB 1.340 46 residues pruned to eliminate duplicates Z: 20 25.613 1.846 0.752 0.884 0.947 0.632 CB 1.386 41 residues pruned to eliminate duplicates Z: 38 30.543 2.089 0.861 0.544 0.865 0.541 CB 1.430 38 residues pruned to eliminate duplicates Z: 7 5.862 1.408 0.668 0.408 1.000 0.833 CA 1.122 Z: 14 14.537 1.896 0.829 0.613 0.923 0.615 CA 1.132 14 residues pruned to eliminate duplicates Z: 25 21.003 1.824 0.440 0.670 0.917 0.625 CB 1.522 26 residues pruned to eliminate duplicates Z: 8 3.393 1.374 0.521 0.520 0.714 0.429 CB 0.842 8 residues pruned to eliminate duplicates Z: 16 15.021 1.597 0.524 0.843 0.933 0.600 CB 1.272 14 residues pruned to eliminate duplicates Z: 13 12.459 1.735 0.400 0.757 0.917 0.667 CB 1.285 13 residues pruned to eliminate duplicates Z: 19 19.622 1.834 0.843 0.479 0.944 0.389 CA 1.480 19 residues pruned to eliminate duplicates Z: 99 79.271 2.158 1.036 0.741 0.939 0.500 CB 1.565 115 residues pruned to eliminate duplicates Z: 8 5.924 1.602 -0.029 0.729 0.857 0.714 CB 1.367 8 residues pruned to eliminate duplicates Z: 14 7.607 1.797 0.437 0.417 0.692 0.462 CB 1.286 6 residues pruned to eliminate duplicates Z: 10 22.340 2.121 0.841 0.870 1.000 0.778 CB 1.392 10 residues pruned to eliminate duplicates Z: 19 26.942 1.985 0.898 0.738 0.944 0.722 CA 1.442 19 residues pruned to eliminate duplicates Z: 9 6.162 1.715 0.561 0.692 0.500 0.500 CA 1.365 9 residues pruned to eliminate duplicates Z: 8 4.386 1.430 0.971 0.417 0.857 0.571 CB 0.748 7 1.470 1.561 0.521 0.253 0.333 0.333 C 1.007 ? Z: 12 14.242 1.710 0.394 0.893 0.909 0.545 N 1.423 12 residues pruned to eliminate duplicates Z: 17 36.920 1.996 1.371 0.926 1.000 0.750 CB 1.368 17 residues pruned to eliminate duplicates Z: 50 29.568 2.099 0.556 0.477 0.878 0.531 CB 1.509 50 residues pruned to eliminate duplicates Z: 12 7.007 1.470 0.359 0.731 0.909 0.455 CB 0.945 12 residues pruned to eliminate duplicates Z: 9 14.423 2.093 0.484 0.876 0.875 0.750 CB 1.364 9 residues pruned to eliminate duplicates Z: 16 21.884 1.824 0.707 0.922 0.933 0.667 CB 1.367 16 residues pruned to eliminate duplicates Z: 14 23.786 2.253 1.044 0.820 0.923 0.385 CB 1.176 14 residues pruned to eliminate duplicates Z: 7 4.156 1.577 0.300 0.870 1.000 1.000 CB 0.604 Z: 16 16.952 1.862 0.434 0.844 0.867 0.600 CB 1.408 16 residues pruned to eliminate duplicates Z: 14 37.357 2.204 0.982 0.901 1.000 0.615 CB 1.693 14 residues pruned to eliminate duplicates Z: 15 6.199 1.597 0.463 0.472 0.857 0.643 CB 0.851 13 residues pruned to eliminate duplicates Z: 9 15.572 1.698 0.954 0.777 0.875 0.625 CA 1.486 9 residues pruned to eliminate duplicates Z: 22 30.068 2.045 0.981 0.608 0.857 0.429 CB 1.707 22 residues pruned to eliminate duplicates Z: 25 25.001 2.286 0.702 0.505 0.792 0.417 CB 1.649 25 residues pruned to eliminate duplicates Z: 9 4.758 1.943 0.123 0.268 0.750 0.625 CA 1.337 9 residues pruned to eliminate duplicates Z: 9 17.275 1.953 0.784 0.810 0.875 0.500 CB 1.530 9 residues pruned to eliminate duplicates Z: 8 2.979 1.467 0.168 0.462 1.000 0.571 CB 0.683 Z: 20 26.214 1.855 0.691 0.917 0.947 0.684 CB 1.429 20 residues pruned to eliminate duplicates Z: 16 19.249 1.918 0.665 0.725 0.933 0.667 CA 1.362 16 residues pruned to eliminate duplicates Z: 55 39.244 1.981 0.587 0.644 0.981 0.648 CB 1.513 55 residues pruned to eliminate duplicates Z: 20 23.234 1.733 0.834 0.887 0.947 0.737 CB 1.277 20 residues pruned to eliminate duplicates Z: 6 4.449 1.529 0.076 0.676 1.000 0.600 CB 1.029 6 residues pruned to eliminate duplicates Z: 12 17.120 1.648 0.707 0.852 1.000 0.636 CB 1.356 12 residues pruned to eliminate duplicates Z: 11 5.524 1.323 0.394 0.391 1.000 0.500 CA 1.063 Z: 8 6.859 1.698 0.550 0.288 1.000 0.429 CB 1.250 8 residues pruned to eliminate duplicates Z: 27 30.037 2.140 0.665 0.619 0.923 0.731 CA 1.601 27 residues pruned to eliminate duplicates Z: 17 25.859 1.999 0.759 0.878 0.938 0.562 CB 1.423 17 residues pruned to eliminate duplicates Z: 14 7.210 1.622 0.602 0.261 0.846 0.692 CB 1.196 14 residues pruned to eliminate duplicates Z: 8 6.910 1.633 0.183 0.615 1.000 0.571 CB 1.213 6 residues pruned to eliminate duplicates Z: 28 61.402 2.350 1.079 0.919 0.963 0.778 CB 1.770 28 residues pruned to eliminate duplicates Z: 7 4.390 1.447 0.321 0.688 0.667 0.667 CB 1.184 7 residues pruned to eliminate duplicates Z: 11 10.916 1.781 0.677 0.560 1.000 0.700 CB 1.090 11 residues pruned to eliminate duplicates Z: 20 20.777 1.759 0.690 0.886 0.842 0.579 CB 1.374 20 residues pruned to eliminate duplicates Z: 42 32.825 2.064 0.615 0.626 0.902 0.756 CA 1.514 26 residues pruned to eliminate duplicates Z: 22 25.607 1.809 0.914 0.697 0.905 0.571 CB 1.490 22 residues pruned to eliminate duplicates Z: 72 44.587 2.175 0.722 0.484 0.901 0.606 CB 1.592 72 residues pruned to eliminate duplicates Z: 10 2.508 1.476 0.367 0.255 0.667 0.333 CB 0.823 10 residues pruned to eliminate duplicates Z: 18 12.698 1.544 0.464 0.751 0.941 0.706 CA 1.157 18 residues pruned to eliminate duplicates Z: 6 3.484 1.661 0.368 0.318 0.600 0.400 CB 1.398 Z: 54 35.777 1.979 0.842 0.577 0.887 0.453 CB 1.412 68 residues pruned to eliminate duplicates Z: 91 57.021 2.113 0.762 0.649 0.922 0.567 CB 1.523 91 residues pruned to eliminate duplicates Z: 12 18.324 1.867 0.453 0.850 1.000 1.000 CB 1.509 12 residues pruned to eliminate duplicates Z: 7 5.516 1.557 0.376 0.553 0.833 0.333 CA 1.198 7 residues pruned to eliminate duplicates Z: 45 33.903 2.179 0.741 0.535 0.909 0.545 CB 1.432 45 residues pruned to eliminate duplicates Z: 6 2.831 1.608 0.395 0.294 0.600 0.400 CA 1.185 Z: 7 4.943 1.406 0.707 0.436 0.833 0.500 CA 1.078 Z: 9 4.238 1.521 -0.016 0.422 0.875 0.750 C 1.241 Z: 10 15.363 2.169 0.655 0.882 0.889 0.556 CB 1.161 10 residues pruned to eliminate duplicates Z: 6 2.789 1.749 -0.339 0.747 0.800 0.600 CB 1.080 Z: 6 2.829 1.524 0.659 0.264 0.600 0.400 CA 1.092 Z: 8 2.273 1.444 0.321 0.259 0.571 0.429 CA 1.039 Z: 10 5.169 1.683 0.670 0.359 0.667 0.222 CB 1.071 Using tripeptides from previous cycle as seeds Z: 51 46.735 2.091 0.694 0.719 0.960 0.640 CB 1.595 51 residues pruned to eliminate duplicates Z: 17 33.097 2.117 0.982 0.754 1.000 0.625 CB 1.572 17 residues pruned to eliminate duplicates Z: 52 48.836 2.088 0.708 0.726 0.980 0.745 CB 1.595 52 residues pruned to eliminate duplicates Z: 15 39.823 2.157 1.250 0.785 1.000 0.643 N 1.706 15 residues pruned to eliminate duplicates Z: 52 51.862 2.079 0.828 0.710 0.980 0.588 CB 1.611 52 residues pruned to eliminate duplicates Z: 51 52.056 2.086 0.787 0.722 1.000 0.700 CB 1.615 51 residues pruned to eliminate duplicates Z: 52 47.696 2.069 0.795 0.711 0.980 0.608 CB 1.515 52 residues pruned to eliminate duplicates Z: 52 49.746 2.067 0.820 0.689 0.980 0.510 CB 1.588 52 residues pruned to eliminate duplicates Z: 16 32.025 2.079 1.286 0.664 0.933 0.467 N 1.602 16 residues pruned to eliminate duplicates Z: 16 22.634 1.997 1.141 0.645 0.800 0.333 CB 1.492 16 residues pruned to eliminate duplicates Z: 52 50.670 2.083 0.807 0.712 0.980 0.647 CB 1.586 52 residues pruned to eliminate duplicates Z: 47 46.504 2.127 0.863 0.684 0.935 0.674 CB 1.563 47 residues pruned to eliminate duplicates Z: 53 48.763 2.079 0.761 0.701 1.000 0.615 CB 1.538 53 residues pruned to eliminate duplicates Z: 52 47.124 2.080 0.723 0.711 0.961 0.549 CB 1.582 52 residues pruned to eliminate duplicates Z: 46 34.950 2.008 0.524 0.648 0.956 0.733 CB 1.551 46 residues pruned to eliminate duplicates Z: 43 32.737 2.018 0.586 0.594 0.952 0.595 CB 1.515 43 residues pruned to eliminate duplicates Z: 50 47.191 2.087 0.701 0.699 0.980 0.490 CB 1.618 50 residues pruned to eliminate duplicates Z: 54 49.580 2.047 0.754 0.697 0.981 0.717 CB 1.614 54 residues pruned to eliminate duplicates Z: 52 49.622 2.088 0.775 0.702 0.961 0.667 CB 1.624 52 residues pruned to eliminate duplicates Z: 51 47.806 2.067 0.759 0.717 0.940 0.540 CB 1.625 51 residues pruned to eliminate duplicates Z: 46 36.177 2.023 0.610 0.636 0.956 0.689 CB 1.524 46 residues pruned to eliminate duplicates Z: 52 52.560 2.093 0.719 0.725 1.000 0.745 CA 1.669 52 residues pruned to eliminate duplicates Z: 48 48.422 2.117 0.817 0.667 0.979 0.532 CB 1.608 48 residues pruned to eliminate duplicates Z: 36 36.625 2.047 0.666 0.696 0.943 0.743 CB 1.609 36 residues pruned to eliminate duplicates Z: 52 51.382 2.084 0.848 0.708 0.980 0.725 CB 1.578 52 residues pruned to eliminate duplicates Z: 49 48.950 2.101 0.810 0.664 0.979 0.625 CB 1.631 49 residues pruned to eliminate duplicates Z: 50 56.389 2.108 0.858 0.726 1.000 0.653 CB 1.678 70 residues pruned to eliminate duplicates Z: 9 18.698 2.210 0.623 0.510 1.000 0.625 CA 1.825 9 residues pruned to eliminate duplicates Z: 54 46.693 2.051 0.774 0.709 0.962 0.604 CB 1.515 53 residues pruned to eliminate duplicates Z: 6 6.094 1.993 0.284 0.414 1.000 1.000 CA 1.165 6 residues pruned to eliminate duplicates Z: 50 50.298 2.100 0.767 0.717 0.959 0.653 CB 1.659 50 residues pruned to eliminate duplicates Z: 51 49.034 2.081 0.852 0.671 0.940 0.620 CB 1.634 51 residues pruned to eliminate duplicates Z: 52 52.576 2.085 0.794 0.714 1.000 0.706 CB 1.622 52 residues pruned to eliminate duplicates Z: 19 23.830 1.944 0.298 0.911 1.000 0.889 CB 1.578 19 residues pruned to eliminate duplicates Z: 50 52.846 2.094 0.844 0.716 1.000 0.673 CB 1.608 50 residues pruned to eliminate duplicates Z: 49 52.674 2.101 0.899 0.670 0.979 0.688 CA 1.664 49 residues pruned to eliminate duplicates Z: 51 57.031 2.101 0.863 0.741 1.000 0.720 CB 1.660 51 residues pruned to eliminate duplicates Z: 47 39.783 2.051 0.722 0.608 0.935 0.652 CB 1.604 47 residues pruned to eliminate duplicates Z: 51 50.241 2.100 0.731 0.709 0.980 0.620 CB 1.649 51 residues pruned to eliminate duplicates Z: 53 42.278 2.021 0.744 0.675 0.923 0.519 CB 1.533 53 residues pruned to eliminate duplicates Z: 44 37.309 2.036 0.686 0.658 0.930 0.558 CB 1.539 44 residues pruned to eliminate duplicates Z: 44 43.945 2.059 0.725 0.697 1.000 0.721 CB 1.576 44 residues pruned to eliminate duplicates Z: 52 42.208 2.022 0.676 0.662 0.961 0.549 CB 1.562 52 residues pruned to eliminate duplicates Z: 51 49.567 2.086 0.815 0.693 0.960 0.680 CB 1.617 51 residues pruned to eliminate duplicates Z: 36 40.224 2.079 0.716 0.702 1.000 0.686 CB 1.587 36 residues pruned to eliminate duplicates Z: 51 52.051 2.092 0.812 0.717 1.000 0.640 CB 1.596 51 residues pruned to eliminate duplicates Z: 53 49.140 2.070 0.814 0.694 0.962 0.654 CB 1.580 53 residues pruned to eliminate duplicates Z: 35 41.448 2.067 0.841 0.711 0.941 0.529 CB 1.638 35 residues pruned to eliminate duplicates Z: 17 17.519 2.239 0.231 0.520 0.938 0.688 CB 1.660 17 residues pruned to eliminate duplicates Z: 19 14.771 2.045 0.393 0.495 0.833 0.667 CA 1.474 19 residues pruned to eliminate duplicates Z: 17 20.220 2.256 0.328 0.571 0.938 0.688 CA 1.680 17 residues pruned to eliminate duplicates Z: 17 18.381 2.261 0.276 0.517 0.938 0.750 CA 1.670 17 residues pruned to eliminate duplicates Z: 17 18.839 2.230 0.326 0.574 0.938 0.625 CA 1.581 17 residues pruned to eliminate duplicates Z: 19 14.862 2.152 0.323 0.456 0.833 0.667 CA 1.545 19 residues pruned to eliminate duplicates Z: 9 7.722 2.154 0.282 0.294 0.875 0.625 CB 1.422 9 residues pruned to eliminate duplicates Z: 9 8.124 2.161 0.335 0.291 0.875 0.625 CB 1.439 9 residues pruned to eliminate duplicates Z: 19 18.691 2.058 0.451 0.519 1.000 0.556 CB 1.447 19 residues pruned to eliminate duplicates Z: 9 13.101 1.966 0.509 0.718 0.875 0.875 CB 1.465 9 residues pruned to eliminate duplicates Z: 17 16.724 2.192 0.386 0.507 0.875 0.562 CA 1.561 17 residues pruned to eliminate duplicates Z: 8 15.746 2.120 0.698 0.780 0.857 0.857 CA 1.507 8 residues pruned to eliminate duplicates Z: 7 22.449 2.304 0.854 0.825 1.000 0.667 CA 1.619 8 residues pruned to eliminate duplicates Z: 8 19.913 2.319 0.549 0.905 1.000 0.857 CA 1.491 8 residues pruned to eliminate duplicates Z: 8 17.437 2.125 0.828 0.791 0.857 0.571 CA 1.534 8 residues pruned to eliminate duplicates Z: 9 9.247 1.841 0.801 0.629 1.000 0.750 CB 0.874 Z: 6 3.865 1.284 0.347 0.444 1.000 1.000 CB 1.058 5 residues pruned to eliminate duplicates Z: 10 19.680 2.075 0.839 0.862 1.000 0.444 CB 1.263 Z: 11 16.983 1.976 0.640 0.811 0.900 0.300 CB 1.404 11 residues pruned to eliminate duplicates Z: 11 22.017 1.969 0.907 0.850 1.000 0.600 CB 1.374 10 residues pruned to eliminate duplicates Z: 10 25.036 2.107 1.067 0.876 1.000 0.667 CB 1.392 11 residues pruned to eliminate duplicates Z: 10 26.090 2.081 1.248 0.855 1.000 0.556 CB 1.372 10 residues pruned to eliminate duplicates Z: 12 17.613 1.849 0.923 0.830 0.909 0.727 CB 1.235 12 residues pruned to eliminate duplicates Z: 20 15.938 1.856 0.570 0.573 0.947 0.579 CB 1.234 20 residues pruned to eliminate duplicates Z: 33 20.718 1.995 0.763 0.482 0.844 0.500 CB 1.257 33 residues pruned to eliminate duplicates Z: 19 18.261 1.880 0.824 0.565 0.944 0.611 CB 1.248 19 residues pruned to eliminate duplicates Z: 17 18.467 1.839 0.853 0.634 0.938 0.750 CB 1.275 17 residues pruned to eliminate duplicates Z: 16 20.651 1.972 0.912 0.639 0.867 0.533 CB 1.433 16 residues pruned to eliminate duplicates Z: 15 23.232 1.997 0.836 0.693 1.000 0.571 CB 1.420 15 residues pruned to eliminate duplicates Z: 78 49.243 2.160 0.802 0.546 0.922 0.597 CB 1.494 78 residues pruned to eliminate duplicates Z: 80 47.221 2.146 0.746 0.570 0.911 0.633 CB 1.454 80 residues pruned to eliminate duplicates Z: 21 21.562 1.996 0.779 0.554 0.900 0.550 CB 1.432 31 residues pruned to eliminate duplicates Z: 13 23.604 1.952 0.789 0.866 1.000 0.667 CB 1.429 13 residues pruned to eliminate duplicates Z: 17 15.601 1.767 0.874 0.614 0.938 0.500 CB 1.128 17 residues pruned to eliminate duplicates Z: 15 19.307 1.977 0.931 0.711 0.857 0.500 CB 1.303 15 residues pruned to eliminate duplicates Z: 89 50.840 2.115 0.724 0.552 0.932 0.614 CB 1.517 89 residues pruned to eliminate duplicates Z: 81 42.731 2.116 0.671 0.520 0.913 0.613 CB 1.452 81 residues pruned to eliminate duplicates Z: 87 54.444 2.153 0.737 0.580 0.953 0.616 CB 1.524 87 residues pruned to eliminate duplicates Z: 6 10.009 1.902 1.263 0.325 1.000 0.600 CA 1.260 6 residues pruned to eliminate duplicates Z: 105 60.187 2.128 0.849 0.586 0.942 0.606 CB 1.466 105 residues pruned to eliminate duplicates Z: 71 45.779 2.169 0.756 0.578 0.929 0.629 CB 1.435 71 residues pruned to eliminate duplicates Z: 46 34.589 2.250 0.637 0.466 0.911 0.533 CB 1.592 46 residues pruned to eliminate duplicates Z: 60 41.612 2.200 0.691 0.526 0.932 0.610 CB 1.522 60 residues pruned to eliminate duplicates Z: 81 47.813 2.145 0.720 0.567 0.950 0.588 CB 1.429 81 residues pruned to eliminate duplicates Z: 64 37.133 2.170 0.668 0.496 0.905 0.667 CB 1.434 64 residues pruned to eliminate duplicates Z: 78 49.680 2.160 0.750 0.562 0.935 0.623 CB 1.509 78 residues pruned to eliminate duplicates Z: 91 47.022 2.099 0.737 0.524 0.911 0.600 CB 1.457 91 residues pruned to eliminate duplicates Z: 73 46.903 2.169 0.703 0.523 0.944 0.653 CB 1.550 73 residues pruned to eliminate duplicates Z: 88 51.255 2.142 0.707 0.579 0.966 0.655 CB 1.442 88 residues pruned to eliminate duplicates Z: 70 46.436 2.183 0.747 0.545 0.928 0.594 CB 1.512 70 residues pruned to eliminate duplicates Z: 129 62.490 2.112 0.800 0.601 0.898 0.609 CB 1.469 129 residues pruned to eliminate duplicates Z: 105 49.918 2.106 0.779 0.563 0.894 0.538 CB 1.374 105 residues pruned to eliminate duplicates Z: 86 51.270 2.144 0.694 0.594 0.941 0.659 CB 1.487 86 residues pruned to eliminate duplicates Z: 61 41.681 2.184 0.743 0.540 0.917 0.617 CB 1.482 61 residues pruned to eliminate duplicates Z: 69 41.867 2.173 0.601 0.555 0.956 0.691 CB 1.447 69 residues pruned to eliminate duplicates Z: 61 42.974 2.202 0.752 0.528 0.967 0.617 CB 1.447 61 residues pruned to eliminate duplicates Z: 66 39.780 2.150 0.563 0.503 0.938 0.615 CB 1.560 66 residues pruned to eliminate duplicates Z: 103 49.118 2.090 0.729 0.554 0.892 0.578 CB 1.431 103 residues pruned to eliminate duplicates Z: 78 46.584 2.163 0.653 0.576 0.935 0.558 CB 1.476 78 residues pruned to eliminate duplicates Z: 41 32.330 2.167 0.753 0.482 0.950 0.525 CB 1.443 41 residues pruned to eliminate duplicates Z: 76 41.003 2.097 0.766 0.502 0.880 0.520 CB 1.451 76 residues pruned to eliminate duplicates Z: 133 76.966 2.145 0.856 0.659 0.939 0.621 CB 1.546 137 residues pruned to eliminate duplicates Z: 6 10.575 2.080 0.531 0.601 1.000 0.600 CA 1.349 6 residues pruned to eliminate duplicates Z: 67 45.467 2.146 0.746 0.536 0.970 0.500 CB 1.487 67 residues pruned to eliminate duplicates Z: 68 42.619 2.158 0.670 0.547 0.940 0.552 CB 1.468 68 residues pruned to eliminate duplicates Z: 61 44.822 2.183 0.773 0.552 0.967 0.567 CB 1.470 61 residues pruned to eliminate duplicates Z: 66 48.529 2.182 0.787 0.550 0.954 0.600 CB 1.541 66 residues pruned to eliminate duplicates Z: 63 48.504 2.212 0.751 0.571 0.968 0.597 CB 1.534 63 residues pruned to eliminate duplicates Z: 93 53.208 2.120 0.719 0.553 0.957 0.554 CB 1.511 93 residues pruned to eliminate duplicates Z: 69 46.794 2.172 0.778 0.556 0.926 0.676 CB 1.502 69 residues pruned to eliminate duplicates Z: 86 57.379 2.153 0.813 0.608 0.976 0.694 CB 1.473 86 residues pruned to eliminate duplicates Z: 31 34.921 2.106 0.888 0.683 0.967 0.767 CB 1.401 31 residues pruned to eliminate duplicates Z: 58 48.646 2.058 0.918 0.695 0.965 0.649 CB 1.416 58 residues pruned to eliminate duplicates Z: 32 27.073 2.042 0.687 0.652 0.871 0.677 CB 1.407 32 residues pruned to eliminate duplicates Z: 74 46.489 2.162 0.799 0.532 0.904 0.575 CB 1.500 74 residues pruned to eliminate duplicates Z: 97 52.901 1.998 0.750 0.705 0.896 0.646 CB 1.431 99 residues pruned to eliminate duplicates Z: 19 25.649 2.031 0.658 0.806 1.000 0.778 CB 1.374 19 residues pruned to eliminate duplicates Z: 40 33.104 2.028 0.734 0.630 0.949 0.667 CB 1.406 40 residues pruned to eliminate duplicates Z: 80 41.083 2.106 0.695 0.526 0.886 0.544 CB 1.425 80 residues pruned to eliminate duplicates Z: 38 34.198 2.081 0.706 0.628 0.919 0.568 CB 1.528 38 residues pruned to eliminate duplicates Z: 32 31.856 2.070 0.816 0.665 0.935 0.645 CB 1.397 32 residues pruned to eliminate duplicates Z: 31 33.776 2.077 0.851 0.667 0.967 0.567 CB 1.422 31 residues pruned to eliminate duplicates Z: 39 37.749 2.089 0.762 0.682 0.947 0.711 CB 1.485 39 residues pruned to eliminate duplicates Z: 32 35.761 2.084 0.875 0.676 0.935 0.677 CB 1.494 32 residues pruned to eliminate duplicates Z: 40 38.927 2.076 0.797 0.674 0.923 0.692 CB 1.541 40 residues pruned to eliminate duplicates Z: 32 32.000 2.063 0.950 0.634 0.871 0.645 CB 1.446 32 residues pruned to eliminate duplicates Z: 89 66.681 2.069 0.868 0.715 0.977 0.750 CA 1.549 89 residues pruned to eliminate duplicates Z: 42 34.353 2.009 0.770 0.653 0.927 0.634 CB 1.412 42 residues pruned to eliminate duplicates Z: 39 39.040 2.118 0.785 0.676 0.921 0.632 CB 1.547 39 residues pruned to eliminate duplicates Z: 60 41.836 2.176 0.729 0.566 0.949 0.644 CB 1.431 60 residues pruned to eliminate duplicates Z: 106 59.287 2.110 0.861 0.590 0.933 0.638 CB 1.448 106 residues pruned to eliminate duplicates Z: 35 33.227 2.072 0.886 0.657 0.912 0.676 CB 1.382 35 residues pruned to eliminate duplicates Z: 61 48.293 2.211 0.812 0.557 0.967 0.683 CB 1.522 61 residues pruned to eliminate duplicates Z: 85 53.450 2.147 0.805 0.558 0.940 0.619 CB 1.512 88 residues pruned to eliminate duplicates Z: 6 4.859 1.358 1.356 0.334 0.800 0.400 CB 1.017 6 residues pruned to eliminate duplicates Z: 59 50.490 2.222 0.793 0.577 1.000 0.655 CB 1.545 59 residues pruned to eliminate duplicates Z: 43 36.156 2.047 0.767 0.648 0.929 0.619 CB 1.446 43 residues pruned to eliminate duplicates Z: 12 12.324 1.941 0.355 0.635 0.818 0.636 CB 1.521 12 residues pruned to eliminate duplicates Z: 38 23.144 1.906 0.593 0.516 0.865 0.351 CB 1.425 38 residues pruned to eliminate duplicates Z: 30 27.024 1.990 0.848 0.628 0.897 0.586 CB 1.349 30 residues pruned to eliminate duplicates Z: 42 35.220 2.047 0.681 0.649 0.927 0.561 CB 1.501 42 residues pruned to eliminate duplicates Z: 10 13.025 1.985 0.299 0.755 0.889 0.667 CB 1.509 10 residues pruned to eliminate duplicates Z: 12 14.192 1.955 0.523 0.659 0.818 0.364 CA 1.516 12 residues pruned to eliminate duplicates Z: 15 11.860 1.845 0.723 0.424 0.857 0.286 CA 1.259 15 residues pruned to eliminate duplicates Z: 49 45.320 2.031 0.973 0.703 0.917 0.729 CB 1.480 49 residues pruned to eliminate duplicates Z: 14 15.427 1.791 0.682 0.545 0.923 0.462 CA 1.473 14 residues pruned to eliminate duplicates Z: 22 14.350 1.728 0.506 0.632 0.857 0.667 CB 1.240 22 residues pruned to eliminate duplicates Z: 23 17.255 1.787 0.782 0.564 0.909 0.364 CB 1.194 23 residues pruned to eliminate duplicates Z: 62 36.613 1.984 0.606 0.574 0.885 0.607 CB 1.548 62 residues pruned to eliminate duplicates Z: 118 74.140 2.137 0.830 0.683 0.923 0.530 CB 1.605 118 residues pruned to eliminate duplicates Z: 97 81.203 2.173 1.008 0.736 0.948 0.531 CB 1.621 97 residues pruned to eliminate duplicates Z: 106 73.416 2.154 0.925 0.701 0.914 0.543 CB 1.574 106 residues pruned to eliminate duplicates Z: 11 15.000 1.984 0.821 0.686 0.800 0.600 CA 1.383 11 residues pruned to eliminate duplicates Z: 23 20.207 1.798 0.787 0.633 0.909 0.682 CB 1.301 23 residues pruned to eliminate duplicates Z: 40 37.434 1.962 0.779 0.670 0.974 0.692 CA 1.507 40 residues pruned to eliminate duplicates Z: 19 18.847 1.742 0.770 0.726 0.944 0.611 N 1.244 19 residues pruned to eliminate duplicates Z: 60 41.233 1.977 0.655 0.612 0.949 0.644 CA 1.554 60 residues pruned to eliminate duplicates Z: 118 80.609 2.150 0.882 0.709 0.966 0.658 CB 1.577 118 residues pruned to eliminate duplicates Z: 28 25.665 1.955 0.565 0.693 0.926 0.741 CA 1.461 28 residues pruned to eliminate duplicates Z: 9 3.228 1.605 0.161 0.507 0.750 0.625 CB 0.811 9 residues pruned to eliminate duplicates Z: 116 77.848 2.159 0.879 0.705 0.904 0.548 CB 1.642 116 residues pruned to eliminate duplicates Z: 23 22.538 1.889 0.754 0.557 0.909 0.727 CA 1.509 23 residues pruned to eliminate duplicates Z: 25 28.849 1.966 0.827 0.696 0.917 0.750 CA 1.496 25 residues pruned to eliminate duplicates Z: 59 42.317 2.029 0.692 0.646 0.897 0.655 CA 1.576 59 residues pruned to eliminate duplicates Z: 49 38.866 1.954 0.797 0.640 0.896 0.688 CB 1.564 49 residues pruned to eliminate duplicates Z: 47 31.782 1.965 0.579 0.629 0.891 0.630 CA 1.500 47 residues pruned to eliminate duplicates Z: 33 30.902 2.027 0.683 0.605 0.906 0.562 CB 1.599 33 residues pruned to eliminate duplicates Z: 57 43.468 2.034 0.696 0.648 0.929 0.714 CA 1.580 57 residues pruned to eliminate duplicates Z: 43 37.393 1.944 0.876 0.671 0.929 0.619 CB 1.455 43 residues pruned to eliminate duplicates Z: 58 39.133 1.987 0.692 0.595 0.877 0.632 CB 1.605 58 residues pruned to eliminate duplicates Z: 24 32.374 2.010 0.876 0.707 0.957 0.522 CA 1.550 24 residues pruned to eliminate duplicates Z: 27 27.016 1.887 0.762 0.673 0.885 0.500 CA 1.535 27 residues pruned to eliminate duplicates Z: 44 33.425 2.049 0.600 0.616 0.884 0.628 CA 1.577 44 residues pruned to eliminate duplicates Z: 25 32.867 1.973 0.832 0.722 1.000 0.792 CA 1.518 25 residues pruned to eliminate duplicates Z: 47 37.117 1.992 0.705 0.600 0.957 0.696 CB 1.531 47 residues pruned to eliminate duplicates Z: 58 42.514 2.028 0.661 0.648 0.930 0.667 CB 1.566 58 residues pruned to eliminate duplicates Z: 117 76.484 2.139 0.891 0.688 0.914 0.569 CB 1.618 117 residues pruned to eliminate duplicates Z: 97 79.530 2.157 0.987 0.772 0.958 0.490 CB 1.554 97 residues pruned to eliminate duplicates Z: 39 38.137 1.944 0.854 0.737 0.921 0.632 CB 1.506 39 residues pruned to eliminate duplicates Z: 95 70.669 2.121 1.015 0.722 0.894 0.436 CB 1.561 95 residues pruned to eliminate duplicates Z: 23 13.924 1.937 0.487 0.420 0.773 0.318 CB 1.450 Z: 9 15.006 1.812 0.779 0.887 0.875 0.375 N 1.356 12 residues pruned to eliminate duplicates Z: 7 9.816 1.964 0.652 0.748 0.833 0.000 CB 1.188 7 residues pruned to eliminate duplicates Z: 32 21.050 1.921 0.587 0.574 0.903 0.484 CB 1.278 20 residues pruned to eliminate duplicates Z: 8 14.692 1.900 0.705 0.852 0.857 0.286 N 1.480 8 residues pruned to eliminate duplicates Z: 55 30.373 1.950 0.747 0.600 0.889 0.481 CB 1.241 87 residues pruned to eliminate duplicates Z: 28 19.826 1.910 0.589 0.589 0.889 0.444 CB 1.299 Z: 11 22.304 1.999 1.124 0.757 0.800 0.300 CB 1.651 12 residues pruned to eliminate duplicates Z: 17 16.460 1.856 0.609 0.676 0.812 0.500 CB 1.442 19 residues pruned to eliminate duplicates Z: 12 16.575 1.936 0.631 0.817 0.818 0.636 CB 1.470 12 residues pruned to eliminate duplicates Z: 11 14.916 1.938 0.548 0.813 0.900 0.700 CB 1.331 11 residues pruned to eliminate duplicates Z: 77 39.807 2.032 0.553 0.622 0.895 0.671 CB 1.441 102 residues pruned to eliminate duplicates Z: 25 19.639 1.912 0.546 0.643 0.917 0.792 CB 1.294 10 residues pruned to eliminate duplicates Z: 12 15.926 1.841 0.327 0.880 1.000 1.000 CB 1.424 12 residues pruned to eliminate duplicates Z: 26 18.227 1.993 0.448 0.597 0.840 0.600 CB 1.370 14 residues pruned to eliminate duplicates Z: 11 16.352 1.984 0.291 0.859 1.000 0.800 CB 1.485 11 residues pruned to eliminate duplicates Z: 26 21.530 1.947 0.665 0.629 0.960 0.600 CB 1.226 28 residues pruned to eliminate duplicates Z: 12 19.515 1.905 0.706 0.864 0.909 0.818 CB 1.459 12 residues pruned to eliminate duplicates Z: 24 26.484 2.044 0.808 0.656 0.913 0.435 CB 1.416 24 residues pruned to eliminate duplicates Z: 13 19.425 1.812 0.647 0.812 1.000 0.667 CA 1.432 13 residues pruned to eliminate duplicates Z: 62 82.018 2.307 1.050 0.810 0.967 0.656 CB 1.752 62 residues pruned to eliminate duplicates Z: 64 75.491 2.273 0.994 0.754 0.952 0.619 CB 1.757 64 residues pruned to eliminate duplicates Z: 60 73.183 2.325 1.020 0.789 0.898 0.661 CB 1.751 60 residues pruned to eliminate duplicates Z: 43 68.041 2.384 0.942 0.827 0.976 0.738 CA 1.749 43 residues pruned to eliminate duplicates Z: 77 72.627 2.276 0.916 0.718 0.895 0.632 CB 1.752 77 residues pruned to eliminate duplicates Z: 61 78.607 2.329 1.016 0.802 0.933 0.733 CB 1.779 61 residues pruned to eliminate duplicates Z: 39 62.413 2.374 0.975 0.805 0.947 0.632 CB 1.747 39 residues pruned to eliminate duplicates Z: 63 77.975 2.322 1.041 0.752 0.952 0.645 CB 1.753 63 residues pruned to eliminate duplicates Z: 44 64.916 2.336 0.950 0.770 1.000 0.651 CB 1.711 44 residues pruned to eliminate duplicates Z: 49 65.291 2.322 1.048 0.730 0.958 0.729 CB 1.682 49 residues pruned to eliminate duplicates Z: 63 75.007 2.321 1.002 0.758 0.919 0.677 CB 1.773 63 residues pruned to eliminate duplicates Z: 67 68.095 2.271 0.993 0.712 0.894 0.636 CB 1.709 67 residues pruned to eliminate duplicates Z: 18 30.353 2.229 1.082 0.696 0.941 0.471 CB 1.409 18 residues pruned to eliminate duplicates Z: 61 75.540 2.320 0.956 0.793 0.950 0.633 CB 1.750 61 residues pruned to eliminate duplicates Z: 64 75.685 2.312 1.101 0.735 0.921 0.635 CB 1.726 64 residues pruned to eliminate duplicates Z: 64 74.606 2.290 1.063 0.751 0.937 0.603 CB 1.699 64 residues pruned to eliminate duplicates Z: 60 77.125 2.329 1.050 0.787 0.932 0.593 CA 1.753 60 residues pruned to eliminate duplicates Z: 62 79.629 2.322 0.981 0.777 0.984 0.689 CA 1.764 62 residues pruned to eliminate duplicates Z: 67 72.098 2.260 0.925 0.738 0.939 0.652 CA 1.754 67 residues pruned to eliminate duplicates Z: 39 71.609 2.429 1.086 0.833 0.974 0.632 CB 1.766 39 residues pruned to eliminate duplicates Z: 67 73.918 2.237 1.022 0.756 0.939 0.606 CA 1.705 67 residues pruned to eliminate duplicates Z: 60 75.712 2.362 0.967 0.777 0.915 0.627 CB 1.816 60 residues pruned to eliminate duplicates Z: 65 68.804 2.284 1.059 0.715 0.891 0.562 CB 1.690 65 residues pruned to eliminate duplicates Z: 55 57.913 2.286 0.915 0.696 0.926 0.556 CB 1.625 55 residues pruned to eliminate duplicates Z: 62 81.527 2.331 1.065 0.782 0.967 0.607 CB 1.749 62 residues pruned to eliminate duplicates Z: 47 65.548 2.274 1.053 0.787 0.957 0.652 CB 1.681 47 residues pruned to eliminate duplicates Z: 60 79.353 2.352 1.028 0.791 0.932 0.610 CB 1.799 60 residues pruned to eliminate duplicates Z: 61 79.613 2.334 0.987 0.794 0.967 0.600 CB 1.772 61 residues pruned to eliminate duplicates Z: 100 84.227 2.256 1.020 0.739 0.939 0.586 CB 1.596 106 residues pruned to eliminate duplicates Z: 30 54.383 2.295 0.953 0.890 0.931 0.379 CB 1.741 30 residues pruned to eliminate duplicates Z: 66 74.833 2.271 0.961 0.741 0.954 0.538 CB 1.761 66 residues pruned to eliminate duplicates Z: 68 70.490 2.256 1.032 0.714 0.910 0.537 CB 1.700 68 residues pruned to eliminate duplicates Z: 63 78.606 2.321 1.042 0.760 0.968 0.613 CB 1.727 63 residues pruned to eliminate duplicates Z: 61 73.111 2.343 0.959 0.768 0.917 0.633 CA 1.769 61 residues pruned to eliminate duplicates Z: 61 74.697 2.340 1.027 0.749 0.917 0.500 CB 1.775 61 residues pruned to eliminate duplicates Z: 64 76.466 2.311 1.080 0.736 0.952 0.651 CB 1.704 64 residues pruned to eliminate duplicates Z: 62 79.741 2.326 1.058 0.775 0.951 0.557 CB 1.758 62 residues pruned to eliminate duplicates Z: 62 86.405 2.323 1.120 0.777 0.984 0.525 CA 1.789 62 residues pruned to eliminate duplicates Z: 55 71.705 2.326 1.015 0.789 0.944 0.481 CB 1.710 55 residues pruned to eliminate duplicates Z: 61 74.018 2.316 1.007 0.798 0.933 0.467 CB 1.698 61 residues pruned to eliminate duplicates Z: 75 72.620 2.273 0.874 0.737 0.946 0.486 CB 1.693 75 residues pruned to eliminate duplicates Z: 64 71.903 2.282 0.953 0.750 0.937 0.476 CB 1.736 64 residues pruned to eliminate duplicates Z: 61 83.195 2.336 1.112 0.785 0.967 0.483 CB 1.753 61 residues pruned to eliminate duplicates Z: 62 74.305 2.306 0.968 0.779 0.934 0.475 CB 1.754 62 residues pruned to eliminate duplicates Z: 62 76.727 2.319 1.105 0.779 0.951 0.492 CB 1.655 62 residues pruned to eliminate duplicates Z: 65 80.745 2.288 1.068 0.765 0.953 0.547 CB 1.769 65 residues pruned to eliminate duplicates Z: 63 75.808 2.310 1.156 0.749 0.952 0.419 CB 1.625 63 residues pruned to eliminate duplicates Z: 119 85.960 2.202 0.914 0.716 0.941 0.636 CB 1.642 117 residues pruned to eliminate duplicates Z: 45 73.130 2.304 1.098 0.849 0.977 0.523 CB 1.730 45 residues pruned to eliminate duplicates Z: 62 80.737 2.318 1.101 0.787 0.951 0.590 CB 1.736 62 residues pruned to eliminate duplicates Z: 37 38.020 2.030 0.867 0.678 0.889 0.611 CB 1.596 37 residues pruned to eliminate duplicates Z: 23 39.544 2.128 1.105 0.672 0.955 0.500 CA 1.683 23 residues pruned to eliminate duplicates Z: 61 78.333 2.334 1.091 0.787 0.933 0.500 CB 1.725 61 residues pruned to eliminate duplicates Z: 62 79.884 2.319 1.145 0.771 0.934 0.492 CB 1.732 62 residues pruned to eliminate duplicates Z: 62 77.168 2.294 1.092 0.799 0.934 0.475 CB 1.696 62 residues pruned to eliminate duplicates Z: 64 77.074 2.301 1.130 0.756 0.952 0.460 CB 1.656 64 residues pruned to eliminate duplicates Z: 62 75.306 2.311 1.119 0.768 0.934 0.426 CB 1.662 62 residues pruned to eliminate duplicates Z: 98 88.297 2.267 1.078 0.744 0.969 0.505 CB 1.579 100 residues pruned to eliminate duplicates Z: 18 38.179 2.163 1.023 0.831 0.941 0.529 CB 1.689 18 residues pruned to eliminate duplicates Z: 62 80.531 2.311 1.228 0.774 0.902 0.525 CB 1.744 62 residues pruned to eliminate duplicates Z: 21 36.377 2.070 0.995 0.687 0.950 0.650 CA 1.747 21 residues pruned to eliminate duplicates Z: 19 30.733 2.104 0.967 0.727 0.944 0.667 CA 1.510 19 residues pruned to eliminate duplicates Z: 19 27.457 2.116 1.000 0.677 0.944 0.667 CB 1.376 19 residues pruned to eliminate duplicates Z: 51 31.955 2.013 0.824 0.542 0.840 0.520 CB 1.406 51 residues pruned to eliminate duplicates Z: 22 24.366 2.004 0.973 0.633 0.905 0.476 CB 1.313 22 residues pruned to eliminate duplicates Z: 19 29.873 2.010 0.972 0.680 1.000 0.722 CA 1.506 19 residues pruned to eliminate duplicates Z: 20 25.787 2.006 0.894 0.644 0.947 0.579 CB 1.436 20 residues pruned to eliminate duplicates Z: 20 29.951 2.054 1.010 0.647 0.947 0.421 CB 1.531 20 residues pruned to eliminate duplicates Z: 20 22.164 2.037 1.032 0.645 0.895 0.368 CB 1.200 20 residues pruned to eliminate duplicates Z: 25 21.239 1.967 0.674 0.603 0.917 0.583 CB 1.302 25 residues pruned to eliminate duplicates Z: 12 25.463 2.161 1.290 0.677 0.909 0.182 CB 1.451 12 residues pruned to eliminate duplicates Z: 15 15.187 1.871 0.813 0.525 0.929 0.286 CB 1.257 15 residues pruned to eliminate duplicates Z: 29 36.068 2.069 0.771 0.812 0.929 0.714 CA 1.527 29 residues pruned to eliminate duplicates Z: 58 39.204 1.888 0.623 0.727 0.965 0.632 CA 1.431 53 residues pruned to eliminate duplicates Z: 28 43.897 2.136 0.789 0.908 1.000 0.778 CA 1.570 28 residues pruned to eliminate duplicates Z: 25 39.638 2.114 0.830 0.821 0.958 0.708 CA 1.652 25 residues pruned to eliminate duplicates Z: 43 53.991 2.173 0.852 0.841 0.976 0.619 CA 1.581 43 residues pruned to eliminate duplicates Z: 43 54.205 2.107 1.079 0.786 0.952 0.595 CA 1.558 43 residues pruned to eliminate duplicates Z: 23 39.968 2.130 0.919 0.819 0.955 0.864 CA 1.656 23 residues pruned to eliminate duplicates Z: 25 33.363 2.087 0.904 0.745 0.917 0.542 CA 1.501 25 residues pruned to eliminate duplicates Z: 23 40.707 2.169 0.859 0.820 1.000 0.682 CA 1.631 23 residues pruned to eliminate duplicates Z: 49 49.233 2.052 0.949 0.770 0.938 0.646 CA 1.492 49 residues pruned to eliminate duplicates Z: 66 45.465 1.994 0.818 0.670 0.938 0.462 CB 1.416 66 residues pruned to eliminate duplicates Z: 58 45.865 1.970 0.854 0.725 0.947 0.526 CB 1.433 58 residues pruned to eliminate duplicates Z: 30 41.939 2.106 0.902 0.849 0.897 0.621 CA 1.609 30 residues pruned to eliminate duplicates Z: 35 34.704 1.977 0.775 0.761 0.912 0.471 CA 1.476 35 residues pruned to eliminate duplicates Z: 36 37.158 1.996 0.741 0.750 0.971 0.486 CB 1.489 36 residues pruned to eliminate duplicates Z: 28 46.628 2.135 0.897 0.892 0.963 0.630 CB 1.654 28 residues pruned to eliminate duplicates Z: 28 44.391 2.152 0.743 0.891 1.000 0.370 CA 1.638 28 residues pruned to eliminate duplicates Z: 28 41.240 2.135 0.862 0.904 0.852 0.519 CB 1.670 28 residues pruned to eliminate duplicates Z: 30 41.862 2.039 0.862 0.843 0.966 0.586 CA 1.580 30 residues pruned to eliminate duplicates Z: 45 58.789 2.134 1.037 0.844 0.977 0.523 CB 1.552 45 residues pruned to eliminate duplicates Z: 112 66.277 2.141 0.915 0.662 0.901 0.514 CB 1.465 112 residues pruned to eliminate duplicates Z: 57 45.468 2.035 0.843 0.704 0.893 0.464 CB 1.507 57 residues pruned to eliminate duplicates Z: 30 36.417 2.069 0.890 0.837 0.862 0.310 CB 1.501 30 residues pruned to eliminate duplicates Z: 29 44.023 2.120 0.891 0.865 0.929 0.571 CB 1.638 29 residues pruned to eliminate duplicates Z: 47 41.694 1.940 0.830 0.805 0.935 0.522 CB 1.419 47 residues pruned to eliminate duplicates Z: 60 45.575 1.931 0.891 0.724 0.898 0.525 CB 1.478 60 residues pruned to eliminate duplicates Z: 31 43.521 2.077 0.899 0.811 0.967 0.400 CA 1.590 31 residues pruned to eliminate duplicates Z: 32 39.474 2.013 0.894 0.803 0.968 0.387 CB 1.475 32 residues pruned to eliminate duplicates Z: 13 15.975 1.712 0.414 0.832 1.000 0.917 CA 1.430 13 residues pruned to eliminate duplicates Z: 14 13.661 1.671 0.352 0.750 0.923 0.769 CA 1.453 14 residues pruned to eliminate duplicates Z: 10 6.111 1.363 0.484 0.580 0.778 0.556 O 1.199 10 residues pruned to eliminate duplicates Z: 12 15.511 1.738 0.380 0.908 1.000 0.909 CA 1.384 12 residues pruned to eliminate duplicates Z: 13 15.273 1.761 0.201 0.909 1.000 0.750 CA 1.480 13 residues pruned to eliminate duplicates Z: 14 14.249 1.713 0.326 0.820 0.923 0.462 CA 1.428 14 residues pruned to eliminate duplicates Z: 13 15.871 1.775 0.355 0.846 0.917 0.583 CB 1.545 13 residues pruned to eliminate duplicates Z: 14 16.208 1.719 0.380 0.773 1.000 0.538 CB 1.488 14 residues pruned to eliminate duplicates Z: 13 16.147 1.733 0.437 0.835 0.917 0.333 CB 1.531 13 residues pruned to eliminate duplicates Z: 13 15.923 1.741 0.446 0.753 1.000 0.417 CB 1.458 13 residues pruned to eliminate duplicates Z: 23 20.338 1.850 0.522 0.663 0.909 0.727 CB 1.456 23 residues pruned to eliminate duplicates Z: 69 43.757 2.229 0.646 0.482 0.912 0.544 CB 1.615 69 residues pruned to eliminate duplicates Z: 41 24.553 2.040 0.562 0.437 0.900 0.525 CB 1.446 41 residues pruned to eliminate duplicates Z: 10 4.266 1.847 0.360 0.129 0.778 0.222 CA 1.157 10 residues pruned to eliminate duplicates Z: 26 17.807 2.080 0.453 0.399 0.920 0.440 CB 1.426 26 residues pruned to eliminate duplicates Z: 18 14.728 2.060 0.527 0.297 0.941 0.471 CB 1.514 18 residues pruned to eliminate duplicates Z: 6 3.421 1.448 0.244 0.397 1.000 0.600 CA 0.947 6 residues pruned to eliminate duplicates Z: 20 10.483 1.975 0.470 0.249 0.789 0.579 CA 1.401 20 residues pruned to eliminate duplicates Z: 29 21.533 2.129 0.543 0.443 0.857 0.500 CB 1.532 29 residues pruned to eliminate duplicates Z: 27 25.569 2.192 0.634 0.479 0.923 0.462 CB 1.550 27 residues pruned to eliminate duplicates Z: 87 44.998 2.094 0.549 0.566 0.907 0.663 CB 1.548 87 residues pruned to eliminate duplicates Z: 28 25.849 2.136 0.610 0.453 0.963 0.370 CB 1.576 28 residues pruned to eliminate duplicates Z: 91 50.277 2.140 0.641 0.556 0.911 0.567 CB 1.568 91 residues pruned to eliminate duplicates Z: 19 11.379 1.994 0.421 0.243 0.944 0.389 CB 1.349 19 residues pruned to eliminate duplicates Z: 21 17.914 2.121 0.540 0.502 0.800 0.550 CB 1.529 21 residues pruned to eliminate duplicates Z: 27 21.068 2.164 0.485 0.449 0.885 0.500 CB 1.532 27 residues pruned to eliminate duplicates Z: 33 20.907 2.000 0.590 0.427 0.875 0.375 CB 1.433 33 residues pruned to eliminate duplicates Z: 11 26.399 2.247 0.854 0.826 0.900 0.300 CB 1.680 11 residues pruned to eliminate duplicates Z: 41 22.667 2.096 0.589 0.429 0.825 0.625 CB 1.405 41 residues pruned to eliminate duplicates Z: 30 23.719 2.136 0.550 0.422 0.931 0.552 CB 1.550 30 residues pruned to eliminate duplicates Z: 27 21.752 2.154 0.511 0.452 0.885 0.500 CB 1.557 27 residues pruned to eliminate duplicates Z: 71 44.070 2.150 0.533 0.602 0.900 0.657 CB 1.611 71 residues pruned to eliminate duplicates Z: 25 22.884 2.058 0.667 0.486 0.958 0.708 CA 1.440 25 residues pruned to eliminate duplicates Z: 19 22.707 2.232 0.519 0.568 0.944 0.722 CA 1.565 19 residues pruned to eliminate duplicates Z: 69 42.457 2.205 0.601 0.485 0.912 0.574 CB 1.624 69 residues pruned to eliminate duplicates Z: 86 50.024 2.146 0.618 0.578 0.918 0.671 CB 1.579 86 residues pruned to eliminate duplicates Z: 74 49.367 2.168 0.586 0.634 0.904 0.699 CB 1.639 74 residues pruned to eliminate duplicates Z: 23 25.164 2.204 0.734 0.530 0.818 0.500 CA 1.665 23 residues pruned to eliminate duplicates Z: 41 25.468 2.104 0.631 0.410 0.850 0.525 CB 1.518 41 residues pruned to eliminate duplicates Z: 40 26.795 2.086 0.669 0.406 0.897 0.410 CB 1.516 40 residues pruned to eliminate duplicates Z: 77 49.157 2.145 0.607 0.631 0.908 0.684 CB 1.592 77 residues pruned to eliminate duplicates Z: 54 40.598 2.224 0.688 0.555 0.849 0.547 CB 1.657 54 residues pruned to eliminate duplicates Z: 50 39.503 2.236 0.689 0.574 0.837 0.531 CB 1.663 50 residues pruned to eliminate duplicates Z: 66 44.447 2.113 0.558 0.607 0.923 0.646 CB 1.638 66 residues pruned to eliminate duplicates Z: 89 50.777 2.144 0.661 0.540 0.920 0.568 CB 1.588 89 residues pruned to eliminate duplicates Z: 91 47.258 2.116 0.637 0.526 0.900 0.533 CB 1.558 91 residues pruned to eliminate duplicates Z: 82 41.886 2.134 0.539 0.535 0.852 0.654 CB 1.607 82 residues pruned to eliminate duplicates Z: 58 39.761 2.064 0.577 0.619 0.895 0.667 CB 1.616 58 residues pruned to eliminate duplicates Z: 90 43.228 2.090 0.595 0.492 0.888 0.629 CB 1.560 90 residues pruned to eliminate duplicates Z: 67 41.431 2.226 0.643 0.492 0.864 0.515 CB 1.628 67 residues pruned to eliminate duplicates Z: 69 38.661 2.190 0.606 0.477 0.868 0.529 CB 1.572 69 residues pruned to eliminate duplicates Z: 91 47.350 2.121 0.528 0.548 0.911 0.622 CB 1.612 91 residues pruned to eliminate duplicates Z: 56 41.537 2.094 0.656 0.643 0.909 0.673 CB 1.554 56 residues pruned to eliminate duplicates Z: 88 45.371 2.147 0.536 0.525 0.908 0.586 CB 1.584 88 residues pruned to eliminate duplicates Z: 49 36.243 2.144 0.451 0.630 0.938 0.688 CB 1.587 49 residues pruned to eliminate duplicates Z: 32 31.692 2.270 0.643 0.598 0.839 0.548 CB 1.658 32 residues pruned to eliminate duplicates Z: 22 23.376 2.256 0.518 0.597 0.857 0.667 CB 1.584 22 residues pruned to eliminate duplicates Z: 30 32.164 2.256 0.617 0.621 0.862 0.586 CB 1.693 30 residues pruned to eliminate duplicates Z: 92 49.579 2.139 0.618 0.538 0.923 0.615 CB 1.568 92 residues pruned to eliminate duplicates Z: 72 45.327 2.143 0.706 0.465 0.958 0.577 CB 1.593 69 residues pruned to eliminate duplicates Z: 13 36.351 2.320 0.938 0.883 0.917 0.750 N 1.841 13 residues pruned to eliminate duplicates Z: 72 45.627 2.138 0.568 0.590 0.887 0.563 CB 1.670 72 residues pruned to eliminate duplicates Z: 39 29.382 2.141 0.658 0.532 0.816 0.526 CB 1.595 39 residues pruned to eliminate duplicates Z: 52 44.927 2.040 0.731 0.683 0.941 0.725 CB 1.600 52 residues pruned to eliminate duplicates Z: 69 43.200 2.174 0.517 0.588 0.868 0.618 CB 1.683 69 residues pruned to eliminate duplicates Z: 28 37.294 2.185 0.863 0.650 0.889 0.630 CA 1.724 28 residues pruned to eliminate duplicates Z: 51 36.294 2.197 0.636 0.466 0.860 0.480 CB 1.720 51 residues pruned to eliminate duplicates Z: 68 38.124 2.187 0.631 0.471 0.836 0.522 CB 1.609 68 residues pruned to eliminate duplicates Z: 51 48.958 2.079 0.767 0.708 0.960 0.620 CB 1.626 51 residues pruned to eliminate duplicates Z: 56 37.292 2.065 0.543 0.624 0.891 0.727 CB 1.577 56 residues pruned to eliminate duplicates Z: 51 44.875 2.055 0.687 0.680 0.940 0.700 CB 1.651 51 residues pruned to eliminate duplicates Z: 54 42.402 2.155 0.689 0.610 0.887 0.642 CB 1.626 54 residues pruned to eliminate duplicates Z: 78 45.805 2.127 0.626 0.601 0.883 0.623 CB 1.552 78 residues pruned to eliminate duplicates Z: 55 43.187 2.092 0.638 0.673 0.926 0.667 CB 1.579 55 residues pruned to eliminate duplicates Z: 55 44.308 2.089 0.668 0.644 0.926 0.685 CB 1.634 55 residues pruned to eliminate duplicates Z: 87 44.497 2.109 0.667 0.511 0.860 0.616 CB 1.569 87 residues pruned to eliminate duplicates Z: 56 43.897 2.124 0.683 0.646 0.909 0.655 CB 1.589 56 residues pruned to eliminate duplicates Z: 92 48.256 2.115 0.643 0.559 0.912 0.637 CB 1.507 92 residues pruned to eliminate duplicates Z: 87 46.674 2.117 0.678 0.553 0.884 0.558 CB 1.523 87 residues pruned to eliminate duplicates Z: 52 42.783 2.138 0.649 0.662 0.902 0.706 CB 1.622 52 residues pruned to eliminate duplicates Z: 62 45.748 2.121 0.739 0.637 0.902 0.656 CB 1.550 62 residues pruned to eliminate duplicates Z: 57 44.845 2.083 0.725 0.649 0.929 0.607 CB 1.563 57 residues pruned to eliminate duplicates Z: 60 40.905 2.162 0.583 0.564 0.898 0.576 CB 1.627 60 residues pruned to eliminate duplicates Z: 75 49.852 2.152 0.677 0.609 0.905 0.608 CB 1.600 75 residues pruned to eliminate duplicates Z: 87 49.552 2.143 0.707 0.520 0.930 0.581 CB 1.540 90 residues pruned to eliminate duplicates Z: 19 20.468 1.783 0.567 0.922 0.944 0.778 CB 1.286 19 residues pruned to eliminate duplicates Z: 92 49.178 2.128 0.670 0.557 0.879 0.615 CB 1.561 92 residues pruned to eliminate duplicates Z: 92 45.232 2.092 0.641 0.508 0.879 0.615 CB 1.558 92 residues pruned to eliminate duplicates Z: 54 51.126 2.139 0.790 0.683 0.962 0.604 CB 1.611 55 residues pruned to eliminate duplicates Z: 19 27.479 1.796 1.030 0.931 0.944 0.500 CB 1.314 18 residues pruned to eliminate duplicates Z: 20 23.010 1.756 0.785 0.914 0.947 0.474 CB 1.257 20 residues pruned to eliminate duplicates Z: 66 47.814 2.126 0.729 0.601 0.938 0.523 CB 1.561 66 residues pruned to eliminate duplicates Z: 75 49.080 2.129 0.717 0.620 0.892 0.649 CB 1.562 75 residues pruned to eliminate duplicates Z: 75 51.414 2.162 0.711 0.621 0.892 0.635 CB 1.617 75 residues pruned to eliminate duplicates Z: 75 43.449 2.079 0.701 0.573 0.865 0.541 CB 1.540 75 residues pruned to eliminate duplicates Z: 63 48.060 2.166 0.709 0.634 0.919 0.661 CB 1.582 63 residues pruned to eliminate duplicates Z: 56 48.188 2.139 0.758 0.657 0.927 0.618 CB 1.612 56 residues pruned to eliminate duplicates Z: 59 42.789 2.001 0.718 0.628 0.966 0.603 CB 1.501 59 residues pruned to eliminate duplicates Z: 93 45.171 2.070 0.715 0.526 0.870 0.533 CB 1.486 93 residues pruned to eliminate duplicates Z: 19 12.658 1.846 0.297 0.662 0.833 0.722 CB 1.287 19 residues pruned to eliminate duplicates Z: 18 13.733 1.811 0.350 0.700 0.941 0.647 CB 1.206 18 residues pruned to eliminate duplicates Z: 18 17.938 1.862 0.428 0.665 1.000 0.706 CB 1.404 18 residues pruned to eliminate duplicates Z: 19 14.737 1.822 0.440 0.635 0.944 0.444 CB 1.236 18 residues pruned to eliminate duplicates Z: 11 16.746 1.849 0.559 0.841 1.000 0.700 CB 1.370 11 residues pruned to eliminate duplicates Z: 18 19.861 1.878 0.600 0.708 1.000 0.647 CB 1.328 18 residues pruned to eliminate duplicates Z: 18 16.674 1.873 0.462 0.698 1.000 0.824 CB 1.233 18 residues pruned to eliminate duplicates Z: 14 19.971 1.922 0.764 0.642 1.000 0.846 CB 1.431 15 residues pruned to eliminate duplicates Z: 11 15.208 1.856 0.604 0.860 1.000 0.800 CB 1.188 11 residues pruned to eliminate duplicates Z: 17 14.937 1.797 0.726 0.604 0.875 0.750 CB 1.246 17 residues pruned to eliminate duplicates Z: 16 19.521 1.924 0.740 0.687 0.933 0.733 CB 1.359 16 residues pruned to eliminate duplicates Z: 18 18.254 1.884 0.595 0.734 0.941 0.588 CB 1.268 18 residues pruned to eliminate duplicates Z: 19 16.454 1.825 0.553 0.690 0.889 0.722 CB 1.293 19 residues pruned to eliminate duplicates Z: 19 17.545 1.841 0.742 0.701 0.889 0.667 CB 1.209 19 residues pruned to eliminate duplicates Z: 19 17.788 1.814 0.631 0.699 0.944 0.722 CB 1.251 19 residues pruned to eliminate duplicates Z: 19 15.579 1.815 0.572 0.696 0.889 0.611 CB 1.210 19 residues pruned to eliminate duplicates Z: 16 20.893 1.921 0.762 0.717 0.933 0.800 CB 1.403 16 residues pruned to eliminate duplicates Z: 8 4.847 1.544 0.455 0.359 0.857 0.286 CA 1.107 8 residues pruned to eliminate duplicates Z: 8 13.598 1.790 0.659 0.897 1.000 0.714 CB 1.239 8 residues pruned to eliminate duplicates Z: 9 10.413 1.726 0.759 0.877 0.875 0.625 CB 1.006 9 residues pruned to eliminate duplicates Z: 10 10.219 1.629 0.605 0.782 1.000 0.556 CB 1.016 9 residues pruned to eliminate duplicates Z: 8 11.083 1.787 0.334 0.899 1.000 0.714 CB 1.256 8 residues pruned to eliminate duplicates Z: 7 9.897 1.843 0.503 0.881 0.833 0.833 CB 1.268 7 residues pruned to eliminate duplicates Z: 10 7.602 1.723 0.332 0.442 1.000 0.556 CB 1.173 Z: 7 3.249 1.445 0.213 0.328 0.833 0.500 CA 1.096 7 residues pruned to eliminate duplicates Z: 12 8.881 1.822 0.219 0.462 0.909 0.545 CB 1.378 15 residues pruned to eliminate duplicates Z: 6 3.638 1.753 0.439 0.304 0.800 0.600 CA 1.003 Z: 17 26.277 2.208 0.647 0.842 1.000 0.875 CB 1.346 17 residues pruned to eliminate duplicates Z: 39 33.249 2.157 0.633 0.666 0.921 0.658 CB 1.426 36 residues pruned to eliminate duplicates Z: 17 23.582 2.172 0.677 0.871 1.000 0.812 CB 1.180 17 residues pruned to eliminate duplicates Z: 39 35.731 2.142 0.666 0.707 0.921 0.711 CB 1.461 40 residues pruned to eliminate duplicates Z: 38 31.865 1.950 0.548 0.875 0.946 0.838 CB 1.334 38 residues pruned to eliminate duplicates Z: 31 33.217 2.130 0.854 0.658 0.933 0.600 CB 1.421 31 residues pruned to eliminate duplicates Z: 40 36.195 2.129 0.764 0.650 0.949 0.641 CB 1.415 40 residues pruned to eliminate duplicates Z: 38 37.235 2.151 0.938 0.651 0.919 0.541 CB 1.389 38 residues pruned to eliminate duplicates Z: 39 36.753 2.134 0.728 0.703 0.921 0.684 CB 1.459 39 residues pruned to eliminate duplicates Z: 43 35.576 2.145 0.716 0.680 0.905 0.667 CB 1.397 43 residues pruned to eliminate duplicates Z: 39 34.608 2.145 0.747 0.663 0.895 0.711 CB 1.440 39 residues pruned to eliminate duplicates Z: 36 36.701 2.158 0.937 0.693 0.943 0.714 CB 1.319 36 residues pruned to eliminate duplicates Z: 29 32.921 2.148 0.807 0.707 0.964 0.679 CB 1.378 29 residues pruned to eliminate duplicates Z: 38 39.704 2.162 0.914 0.683 0.919 0.595 CB 1.451 38 residues pruned to eliminate duplicates Z: 29 33.081 2.122 1.012 0.665 0.964 0.536 CB 1.304 29 residues pruned to eliminate duplicates Z: 38 41.027 2.192 0.860 0.702 0.919 0.622 CB 1.498 38 residues pruned to eliminate duplicates Z: 39 40.481 2.147 0.931 0.663 0.947 0.579 CB 1.437 39 residues pruned to eliminate duplicates Z: 41 42.187 2.124 0.938 0.664 0.975 0.475 CB 1.428 41 residues pruned to eliminate duplicates Z: 39 40.012 2.155 0.980 0.671 0.921 0.447 CB 1.410 39 residues pruned to eliminate duplicates Z: 40 39.074 2.119 0.949 0.673 0.923 0.538 CB 1.399 40 residues pruned to eliminate duplicates Z: 35 39.204 2.199 0.910 0.666 0.971 0.500 CB 1.414 35 residues pruned to eliminate duplicates Z: 40 41.759 2.116 0.906 0.679 0.974 0.590 CB 1.443 40 residues pruned to eliminate duplicates Z: 45 30.653 2.071 0.788 0.617 0.841 0.568 CB 1.329 45 residues pruned to eliminate duplicates Z: 37 43.658 2.195 0.919 0.709 0.972 0.667 CB 1.469 37 residues pruned to eliminate duplicates Z: 37 43.442 2.215 0.922 0.710 0.944 0.667 CB 1.488 37 residues pruned to eliminate duplicates Z: 39 42.959 2.161 0.922 0.694 0.947 0.605 CB 1.483 39 residues pruned to eliminate duplicates Z: 43 31.803 2.068 0.870 0.618 0.833 0.619 CB 1.361 43 residues pruned to eliminate duplicates Z: 33 42.826 2.195 1.109 0.681 0.969 0.625 CB 1.429 33 residues pruned to eliminate duplicates Z: 44 39.210 2.085 0.859 0.696 0.953 0.605 CB 1.353 44 residues pruned to eliminate duplicates Z: 40 38.985 2.116 1.004 0.678 0.897 0.615 CB 1.393 40 residues pruned to eliminate duplicates Z: 13 6.159 1.720 0.245 0.297 0.917 0.750 CB 1.137 13 residues pruned to eliminate duplicates Z: 14 15.275 2.087 1.105 0.443 0.692 0.538 CA 1.478 18 residues pruned to eliminate duplicates Z: 6 3.655 1.547 0.842 0.291 0.600 0.400 N 1.209 6 residues pruned to eliminate duplicates Z: 15 10.618 1.949 0.532 0.342 0.786 0.500 CB 1.436 15 residues pruned to eliminate duplicates Z: 18 11.227 1.835 0.579 0.323 0.824 0.529 CB 1.388 18 residues pruned to eliminate duplicates Z: 29 23.402 1.912 0.587 0.598 0.893 0.643 CA 1.487 29 residues pruned to eliminate duplicates Z: 8 14.397 2.097 0.665 0.555 0.857 0.714 N 1.723 8 residues pruned to eliminate duplicates Z: 14 9.038 1.852 0.347 0.433 0.846 0.385 CB 1.273 14 residues pruned to eliminate duplicates Z: 16 15.680 2.104 0.680 0.494 0.733 0.467 CA 1.571 16 residues pruned to eliminate duplicates Z: 19 15.546 1.960 0.641 0.423 0.833 0.389 CB 1.481 19 residues pruned to eliminate duplicates Z: 24 10.629 1.714 0.788 0.391 0.783 0.217 CB 1.036 24 residues pruned to eliminate duplicates Z: 11 9.230 1.853 0.515 0.528 0.800 0.400 CB 1.266 11 residues pruned to eliminate duplicates Z: 16 14.053 2.029 0.790 0.551 0.667 0.333 CB 1.427 16 residues pruned to eliminate duplicates Z: 72 36.763 2.086 0.643 0.470 0.859 0.521 CB 1.528 72 residues pruned to eliminate duplicates Z: 15 8.951 1.725 0.217 0.558 0.857 0.571 CB 1.257 15 residues pruned to eliminate duplicates Z: 15 9.242 1.707 0.408 0.417 0.929 0.500 CB 1.207 15 residues pruned to eliminate duplicates Z: 10 15.002 2.024 0.470 0.584 1.000 0.778 CA 1.550 10 residues pruned to eliminate duplicates Z: 31 16.817 1.760 0.485 0.560 0.933 0.600 CB 1.187 50 residues pruned to eliminate duplicates Z: 15 11.350 1.708 0.476 0.488 1.000 0.500 CB 1.218 15 residues pruned to eliminate duplicates Z: 26 20.508 1.838 0.551 0.673 0.920 0.640 CB 1.333 26 residues pruned to eliminate duplicates Z: 11 13.754 2.002 0.311 0.615 1.000 0.700 CB 1.486 11 residues pruned to eliminate duplicates Z: 16 12.143 1.652 0.400 0.686 0.867 0.533 CB 1.318 16 residues pruned to eliminate duplicates Z: 14 15.358 1.698 0.474 0.813 0.923 0.538 CA 1.403 14 residues pruned to eliminate duplicates Z: 14 11.949 1.695 0.353 0.752 0.846 0.308 CB 1.365 14 residues pruned to eliminate duplicates Z: 16 15.844 1.661 0.537 0.749 0.933 0.400 CB 1.375 16 residues pruned to eliminate duplicates Z: 15 14.872 1.711 0.640 0.779 0.857 0.500 CB 1.291 15 residues pruned to eliminate duplicates Z: 16 12.444 1.690 0.400 0.778 0.800 0.600 CB 1.328 16 residues pruned to eliminate duplicates Z: 15 11.143 1.674 0.455 0.772 0.786 0.357 CB 1.223 15 residues pruned to eliminate duplicates Z: 14 13.397 1.686 0.466 0.735 0.923 0.462 CB 1.319 14 residues pruned to eliminate duplicates Z: 57 47.105 1.991 0.969 0.750 0.946 0.321 CB 1.358 57 residues pruned to eliminate duplicates Z: 42 41.023 1.960 0.888 0.752 0.951 0.463 CB 1.454 42 residues pruned to eliminate duplicates Z: 16 11.337 1.639 0.436 0.722 0.800 0.333 CA 1.273 16 residues pruned to eliminate duplicates Z: 45 42.271 1.914 0.888 0.810 0.932 0.455 CB 1.445 45 residues pruned to eliminate duplicates Z: 19 7.819 1.578 0.569 0.452 0.722 0.222 CA 1.083 19 residues pruned to eliminate duplicates Z: 40 22.384 2.011 0.561 0.395 0.923 0.564 CB 1.382 40 residues pruned to eliminate duplicates Z: 6 5.321 1.540 0.658 0.709 0.800 0.600 CA 0.963 6 residues pruned to eliminate duplicates Z: 36 16.235 1.962 0.503 0.390 0.829 0.543 CB 1.262 36 residues pruned to eliminate duplicates Z: 21 12.920 2.058 0.493 0.288 0.850 0.500 CB 1.404 21 residues pruned to eliminate duplicates Z: 6 2.924 1.450 0.980 0.310 1.000 0.200 CA 0.562 6 residues pruned to eliminate duplicates Z: 29 21.598 2.045 0.601 0.459 0.929 0.571 CB 1.400 29 residues pruned to eliminate duplicates Z: 41 19.228 2.000 0.509 0.392 0.875 0.575 CB 1.291 41 residues pruned to eliminate duplicates Z: 25 24.898 2.123 0.676 0.505 0.958 0.667 CB 1.483 25 residues pruned to eliminate duplicates Z: 88 44.313 2.059 0.661 0.534 0.908 0.598 CB 1.479 88 residues pruned to eliminate duplicates Z: 28 21.156 2.078 0.656 0.448 0.889 0.444 CB 1.405 28 residues pruned to eliminate duplicates Z: 15 15.127 2.177 0.504 0.410 1.000 0.643 CB 1.357 15 residues pruned to eliminate duplicates Z: 12 11.649 1.620 0.361 0.833 0.818 0.818 O 1.460 Z: 12 15.561 1.666 0.401 0.910 1.000 0.818 O 1.426 12 residues pruned to eliminate duplicates Z: 16 14.524 1.506 0.556 0.831 0.933 0.667 CB 1.289 13 residues pruned to eliminate duplicates Z: 14 18.242 1.620 0.587 0.914 1.000 0.538 CB 1.392 15 residues pruned to eliminate duplicates Z: 13 18.489 1.641 0.565 0.895 1.000 0.583 CB 1.491 13 residues pruned to eliminate duplicates Z: 11 11.710 1.661 0.563 0.813 0.800 0.600 CA 1.358 11 residues pruned to eliminate duplicates Z: 8 14.751 1.799 0.599 0.914 1.000 0.571 CB 1.371 8 residues pruned to eliminate duplicates Z: 11 15.226 1.704 0.573 0.921 0.900 0.300 CB 1.405 11 residues pruned to eliminate duplicates Z: 12 12.532 1.690 0.538 0.845 0.818 0.636 CB 1.321 12 residues pruned to eliminate duplicates Z: 18 15.041 1.661 0.581 0.639 0.941 0.588 CB 1.296 17 residues pruned to eliminate duplicates Z: 11 13.236 1.623 0.724 0.909 0.800 0.500 CB 1.327 11 residues pruned to eliminate duplicates Z: 16 11.539 1.570 0.584 0.658 0.800 0.533 CB 1.293 16 residues pruned to eliminate duplicates Z: 9 6.098 1.632 0.543 0.472 1.000 0.500 CB 0.881 9 residues pruned to eliminate duplicates Z: 38 33.400 2.032 0.619 0.629 0.946 0.622 CB 1.563 60 residues pruned to eliminate duplicates Z: 8 5.322 1.584 0.592 0.404 0.857 0.571 CB 1.029 Z: 13 14.517 1.887 0.520 0.823 0.833 0.667 CA 1.325 13 residues pruned to eliminate duplicates Z: 30 20.091 2.036 0.573 0.450 0.931 0.621 CB 1.318 30 residues pruned to eliminate duplicates Z: 29 20.261 2.063 0.450 0.464 0.964 0.643 CB 1.377 29 residues pruned to eliminate duplicates Z: 91 46.375 2.042 0.645 0.564 0.956 0.644 CB 1.431 91 residues pruned to eliminate duplicates Z: 12 19.947 1.818 0.733 0.851 1.000 0.818 CB 1.413 12 residues pruned to eliminate duplicates Z: 15 16.970 1.976 0.718 0.643 0.857 0.643 CB 1.364 15 residues pruned to eliminate duplicates Z: 57 31.084 2.030 0.715 0.499 0.911 0.571 CB 1.312 57 residues pruned to eliminate duplicates Z: 34 19.988 1.962 0.504 0.402 0.970 0.515 CB 1.349 34 residues pruned to eliminate duplicates Z: 29 19.284 2.067 0.487 0.448 0.929 0.571 CB 1.347 29 residues pruned to eliminate duplicates Z: 40 20.614 2.031 0.514 0.419 0.923 0.436 CB 1.266 40 residues pruned to eliminate duplicates Z: 61 47.696 2.076 0.738 0.671 0.950 0.717 CB 1.534 61 residues pruned to eliminate duplicates Z: 8 6.699 1.935 0.761 0.525 0.857 0.571 CB 0.846 8 residues pruned to eliminate duplicates Z: 9 11.609 2.210 0.898 0.560 0.750 0.625 CB 1.230 9 residues pruned to eliminate duplicates Z: 84 42.205 2.058 0.706 0.555 0.867 0.639 CB 1.441 119 residues pruned to eliminate duplicates Z: 7 7.831 2.066 0.458 0.504 0.833 0.500 CB 1.268 7 residues pruned to eliminate duplicates Z: 63 42.966 2.072 0.736 0.602 0.919 0.532 CB 1.497 63 residues pruned to eliminate duplicates 552 residues left after pruning, divided into chains as follows: A: 7 B: 10 C: 92 D: 9 E: 155 F: 188 G: 91 CC for partial structure against native data = 39.33 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.494, Connect. = 0.754 for dens.mod. cycle 1 = 0.300, Contrast = 0.558, Connect. = 0.775 for dens.mod. cycle 2 = 0.300, Contrast = 0.663, Connect. = 0.800 for dens.mod. cycle 3 = 0.300, Contrast = 0.669, Connect. = 0.801 for dens.mod. cycle 4 = 0.300, Contrast = 0.678, Connect. = 0.802 for dens.mod. cycle 5 = 0.300, Contrast = 0.681, Connect. = 0.803 for dens.mod. cycle 6 = 0.300, Contrast = 0.684, Connect. = 0.804 for dens.mod. cycle 7 = 0.300, Contrast = 0.686, Connect. = 0.805 for dens.mod. cycle 8 = 0.300, Contrast = 0.687, Connect. = 0.806 for dens.mod. cycle 9 = 0.300, Contrast = 0.687, Connect. = 0.806 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3521 peaks > 0.5 sigma used to seed fragment search Space for about 917 unique residues taking solvent into account 863 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 16.174 2.092 0.701 0.811 0.909 0.545 CB 1.149 B: 11 19.487 2.265 0.715 0.868 0.900 0.500 CB 1.289 11 residues pruned to eliminate duplicates C: 40 62.212 2.311 0.913 0.841 0.923 0.718 CA 1.820 D: 14 37.616 2.347 0.626 0.936 1.000 1.000 CA 1.905 E: 13 33.047 2.341 0.488 0.939 1.000 0.917 CB 1.904 13 residues pruned to eliminate duplicates F: 9 27.450 2.520 0.840 0.865 1.000 0.375 CB 1.534 11 residues pruned to eliminate duplicates G: 28 61.201 2.373 1.121 0.906 0.926 0.333 CB 1.797 23 residues pruned to eliminate duplicates H: 29 56.723 2.373 0.963 0.885 0.929 0.643 CA 1.790 29 residues pruned to eliminate duplicates I: 12 20.226 2.073 0.566 0.926 1.000 0.727 CB 1.317 12 residues pruned to eliminate duplicates J: 30 53.318 2.338 0.883 0.893 0.931 0.828 CB 1.733 30 residues pruned to eliminate duplicates K: 25 68.771 2.502 1.161 0.936 0.958 0.750 CB 1.887 25 residues pruned to eliminate duplicates L: 23 67.714 2.444 1.188 0.953 1.000 0.864 CA 1.858 23 residues pruned to eliminate duplicates M: 27 60.337 2.440 1.020 0.926 0.923 0.731 CA 1.824 27 residues pruned to eliminate duplicates N: 10 16.116 2.343 0.336 0.912 1.000 0.667 CB 1.216 10 residues pruned to eliminate duplicates O: 30 58.865 2.325 1.121 0.914 0.931 0.276 CB 1.684 30 residues pruned to eliminate duplicates P: 28 63.793 2.383 1.034 0.917 0.963 0.852 CA 1.856 28 residues pruned to eliminate duplicates Q: 40 31.758 2.085 0.472 0.674 0.897 0.667 CB 1.573 R: 14 41.804 2.335 0.965 0.931 1.000 1.000 CA 1.766 14 residues pruned to eliminate duplicates S: 46 63.733 2.293 0.920 0.831 0.911 0.689 CA 1.780 46 residues pruned to eliminate duplicates T: 28 59.016 2.419 1.162 0.913 0.889 0.593 CB 1.729 28 residues pruned to eliminate duplicates U: 30 54.761 2.333 0.922 0.917 0.931 0.655 CA 1.720 30 residues pruned to eliminate duplicates V: 16 24.889 2.070 0.624 0.855 0.933 0.933 CA 1.512 W: 17 33.896 2.049 1.059 0.932 1.000 0.750 CA 1.403 X: 27 52.335 2.424 0.891 0.895 0.923 0.769 CA 1.739 27 residues pruned to eliminate duplicates Y: 17 26.581 1.952 0.775 0.901 1.000 1.000 CB 1.369 17 residues pruned to eliminate duplicates Z: 14 44.099 2.368 0.975 0.930 0.923 0.846 CA 1.981 14 residues pruned to eliminate duplicates Z: 28 61.442 2.433 1.077 0.937 0.926 0.593 CB 1.758 28 residues pruned to eliminate duplicates Z: 16 35.599 2.115 0.984 0.925 1.000 0.867 CA 1.537 Z: 11 21.521 1.949 0.680 0.890 1.000 0.900 CB 1.495 Z: 15 33.753 2.209 1.056 0.934 0.929 0.857 CA 1.492 15 residues pruned to eliminate duplicates Z: 13 20.989 1.950 0.932 0.839 0.917 0.667 CB 1.310 13 residues pruned to eliminate duplicates Z: 30 62.050 2.305 1.101 0.939 0.966 0.724 CA 1.712 30 residues pruned to eliminate duplicates Z: 8 14.291 2.051 0.284 0.779 1.000 0.714 N 1.603 Z: 9 18.217 1.973 0.607 0.865 1.000 1.000 CA 1.488 Z: 15 34.874 2.350 0.726 0.907 1.000 0.714 CB 1.634 Z: 30 55.596 2.311 0.915 0.880 0.966 0.655 CA 1.751 30 residues pruned to eliminate duplicates Z: 16 31.949 2.285 0.918 0.859 1.000 0.667 CB 1.384 15 residues pruned to eliminate duplicates Z: 16 29.249 2.078 0.916 0.933 1.000 0.933 CB 1.323 16 residues pruned to eliminate duplicates Z: 16 36.112 2.134 1.015 0.902 1.000 0.933 CA 1.547 16 residues pruned to eliminate duplicates Z: 29 52.104 2.334 1.049 0.911 0.929 0.357 CB 1.571 29 residues pruned to eliminate duplicates Z: 9 21.813 2.323 0.473 0.880 1.000 0.750 CA 1.633 8 residues pruned to eliminate duplicates Z: 12 22.373 2.102 0.668 0.862 1.000 0.909 CA 1.413 Z: 14 33.593 2.346 0.489 0.936 1.000 0.923 CA 1.858 14 residues pruned to eliminate duplicates Z: 16 31.952 2.284 0.798 0.901 1.000 0.600 CB 1.433 16 residues pruned to eliminate duplicates Z: 28 58.888 2.400 1.070 0.913 0.926 0.444 CB 1.744 28 residues pruned to eliminate duplicates Z: 17 27.438 1.963 0.884 0.914 1.000 0.812 CB 1.312 17 residues pruned to eliminate duplicates Z: 30 55.256 2.311 0.930 0.907 0.966 0.759 CA 1.694 30 residues pruned to eliminate duplicates Z: 15 33.436 2.122 0.772 0.912 1.000 0.857 CB 1.682 15 residues pruned to eliminate duplicates Z: 16 38.597 2.113 1.128 0.945 1.000 0.733 CA 1.533 16 residues pruned to eliminate duplicates Z: 17 28.728 2.037 0.787 0.905 1.000 0.688 CB 1.405 17 residues pruned to eliminate duplicates Z: 9 12.064 1.893 0.225 0.821 0.875 0.625 CB 1.592 Z: 30 54.113 2.314 0.967 0.904 0.931 0.655 CA 1.689 30 residues pruned to eliminate duplicates Z: 16 24.910 2.036 0.670 0.904 1.000 0.800 CB 1.347 16 residues pruned to eliminate duplicates Z: 46 71.606 2.283 1.012 0.845 0.956 0.622 CA 1.808 46 residues pruned to eliminate duplicates Z: 11 23.098 1.941 0.852 0.916 1.000 0.600 CB 1.435 11 residues pruned to eliminate duplicates Z: 17 28.850 2.016 0.889 0.894 0.938 0.625 CA 1.449 17 residues pruned to eliminate duplicates Z: 119 70.202 2.175 0.736 0.664 0.932 0.627 CB 1.578 67 residues pruned to eliminate duplicates Z: 11 27.711 2.113 0.806 0.904 1.000 0.700 CB 1.636 Z: 29 42.185 2.103 0.760 0.929 0.964 0.786 CA 1.563 29 residues pruned to eliminate duplicates Z: 14 45.797 2.357 0.978 0.931 1.000 1.000 CA 1.904 14 residues pruned to eliminate duplicates Z: 8 10.734 1.649 0.445 0.864 1.000 0.714 CB 1.249 8 residues pruned to eliminate duplicates Z: 29 57.224 2.384 0.965 0.899 0.929 0.857 CB 1.777 29 residues pruned to eliminate duplicates Z: 15 38.039 2.278 1.303 0.911 1.000 0.643 CB 1.373 16 residues pruned to eliminate duplicates Z: 11 19.528 1.954 0.483 0.875 1.000 0.600 CB 1.551 11 residues pruned to eliminate duplicates Z: 9 8.540 1.772 0.623 0.664 0.875 0.500 CA 1.031 8 residues pruned to eliminate duplicates Z: 10 16.694 2.138 0.475 0.550 1.000 0.778 CB 1.680 Z: 16 27.197 2.089 0.734 0.850 1.000 0.933 CA 1.437 16 residues pruned to eliminate duplicates Z: 12 23.814 2.068 0.839 0.832 0.909 0.636 CB 1.559 11 residues pruned to eliminate duplicates Z: 29 63.331 2.346 1.084 0.930 1.000 0.821 CA 1.712 29 residues pruned to eliminate duplicates Z: 10 26.165 2.279 0.706 0.917 1.000 0.889 CB 1.584 11 residues pruned to eliminate duplicates Z: 12 16.426 1.998 0.190 0.863 1.000 0.818 CB 1.528 12 residues pruned to eliminate duplicates Z: 20 24.567 1.912 0.327 0.883 1.000 0.789 CB 1.605 Z: 18 27.264 2.095 0.578 0.892 1.000 0.706 CB 1.437 16 residues pruned to eliminate duplicates Z: 9 17.030 2.360 0.224 0.815 1.000 0.875 CA 1.584 9 residues pruned to eliminate duplicates Z: 11 19.598 1.992 0.563 0.847 1.000 0.900 CB 1.478 11 residues pruned to eliminate duplicates Z: 11 14.497 1.820 0.475 0.735 0.900 0.800 CA 1.536 10 residues pruned to eliminate duplicates Z: 10 15.529 1.863 0.301 0.879 1.000 0.667 CA 1.549 10 residues pruned to eliminate duplicates Z: 9 18.688 2.411 0.169 0.882 1.000 0.875 CA 1.697 9 residues pruned to eliminate duplicates Z: 47 25.295 1.917 0.487 0.575 0.826 0.609 CA 1.473 26 residues pruned to eliminate duplicates Z: 16 26.767 2.091 0.808 0.924 1.000 0.800 CA 1.284 16 residues pruned to eliminate duplicates Z: 29 35.564 2.026 0.610 0.901 1.000 0.786 CA 1.470 29 residues pruned to eliminate duplicates Z: 16 35.503 2.098 1.106 0.915 1.000 0.933 CA 1.466 16 residues pruned to eliminate duplicates Z: 23 19.533 1.943 0.279 0.687 0.909 0.727 CB 1.553 23 residues pruned to eliminate duplicates Z: 8 12.402 1.856 0.532 0.809 1.000 0.714 CB 1.259 Z: 16 32.650 2.103 0.886 0.891 1.000 0.800 CA 1.527 16 residues pruned to eliminate duplicates Z: 28 38.590 2.111 0.693 0.914 0.963 0.667 CA 1.526 28 residues pruned to eliminate duplicates Z: 19 42.135 2.065 1.097 0.805 1.000 0.611 CB 1.758 19 residues pruned to eliminate duplicates Z: 9 11.486 1.891 0.480 0.773 0.750 0.625 CA 1.520 9 residues pruned to eliminate duplicates Z: 10 17.399 1.883 0.544 0.904 1.000 1.000 CA 1.421 9 residues pruned to eliminate duplicates Z: 119 60.369 2.104 0.677 0.631 0.898 0.695 CB 1.551 119 residues pruned to eliminate duplicates Z: 11 20.020 2.184 0.703 0.909 1.000 0.800 CB 1.208 11 residues pruned to eliminate duplicates Z: 15 26.875 2.249 0.543 0.875 1.000 0.571 CB 1.505 15 residues pruned to eliminate duplicates Z: 13 16.070 2.000 0.528 0.771 0.917 0.750 CA 1.302 13 residues pruned to eliminate duplicates Z: 9 16.097 2.046 0.351 0.810 1.000 0.625 CA 1.572 10 residues pruned to eliminate duplicates Z: 64 40.423 2.152 0.494 0.610 0.905 0.603 CB 1.577 35 residues pruned to eliminate duplicates Z: 11 22.902 1.961 0.886 0.831 1.000 0.800 CB 1.471 Z: 14 6.740 2.037 0.267 0.364 0.846 0.385 CB 0.990 Z: 14 20.720 1.883 0.573 0.852 1.000 0.692 CA 1.435 Z: 16 30.510 2.186 1.031 0.827 1.000 0.733 CB 1.338 16 residues pruned to eliminate duplicates Z: 23 28.482 2.016 0.513 0.912 1.000 0.773 CA 1.410 23 residues pruned to eliminate duplicates Z: 29 33.436 2.051 0.574 0.889 0.964 0.821 CA 1.461 29 residues pruned to eliminate duplicates Z: 21 27.351 1.894 0.562 0.901 0.950 0.900 CA 1.553 20 residues pruned to eliminate duplicates Z: 11 17.247 2.065 0.357 0.853 1.000 0.900 CB 1.438 11 residues pruned to eliminate duplicates Z: 118 62.492 2.111 0.681 0.647 0.906 0.667 CB 1.567 118 residues pruned to eliminate duplicates Z: 11 23.461 2.013 0.936 0.829 0.900 0.900 CB 1.592 11 residues pruned to eliminate duplicates Z: 20 29.507 2.037 0.639 0.912 1.000 0.737 CA 1.436 20 residues pruned to eliminate duplicates Z: 15 26.694 2.129 0.478 0.855 1.000 0.786 CB 1.673 16 residues pruned to eliminate duplicates Z: 6 4.705 1.524 0.782 0.811 1.000 0.800 CA 0.591 6 residues pruned to eliminate duplicates Z: 28 45.863 2.113 0.856 0.941 1.000 0.852 CA 1.562 28 residues pruned to eliminate duplicates Z: 14 35.231 2.296 0.700 0.926 1.000 1.000 CA 1.755 14 residues pruned to eliminate duplicates Z: 10 19.872 2.048 0.657 0.894 1.000 0.889 CB 1.401 10 residues pruned to eliminate duplicates Z: 9 19.369 2.343 0.302 0.846 1.000 0.875 CA 1.667 9 residues pruned to eliminate duplicates Z: 28 58.247 2.337 1.168 0.898 0.926 0.556 CB 1.710 28 residues pruned to eliminate duplicates Z: 52 53.418 2.115 0.693 0.726 1.000 0.745 CB 1.704 46 residues pruned to eliminate duplicates Z: 39 21.908 2.151 0.479 0.385 0.895 0.447 CB 1.411 11 residues pruned to eliminate duplicates Z: 10 24.050 2.258 0.537 0.906 1.000 0.889 CB 1.643 10 residues pruned to eliminate duplicates Z: 8 18.593 2.042 0.547 0.822 1.000 1.000 C 1.682 8 residues pruned to eliminate duplicates Z: 111 59.842 2.146 0.728 0.606 0.936 0.545 CB 1.485 112 residues pruned to eliminate duplicates Z: 15 30.738 2.217 1.040 0.899 0.857 0.857 CA 1.515 15 residues pruned to eliminate duplicates Z: 58 47.133 2.113 0.710 0.672 0.912 0.596 CB 1.616 58 residues pruned to eliminate duplicates Z: 14 40.936 2.148 1.280 0.926 1.000 0.462 CA 1.625 15 residues pruned to eliminate duplicates Z: 10 27.989 2.135 1.182 0.923 1.000 0.556 CB 1.407 10 residues pruned to eliminate duplicates Z: 95 56.663 2.164 0.754 0.576 0.915 0.574 CB 1.564 95 residues pruned to eliminate duplicates Z: 15 29.133 2.089 0.656 0.909 1.000 0.857 CB 1.597 15 residues pruned to eliminate duplicates Z: 15 30.749 2.173 0.803 0.919 1.000 0.929 CA 1.478 15 residues pruned to eliminate duplicates Z: 93 47.084 2.116 0.604 0.553 0.924 0.598 CB 1.487 93 residues pruned to eliminate duplicates Z: 21 27.587 1.855 0.644 0.889 0.950 0.600 CA 1.532 21 residues pruned to eliminate duplicates Z: 16 29.500 2.150 1.273 0.948 1.000 0.533 CB 1.076 Z: 29 68.183 2.325 1.226 0.925 0.964 0.464 CB 1.811 29 residues pruned to eliminate duplicates Z: 29 55.649 2.366 1.100 0.897 0.893 0.357 CB 1.697 29 residues pruned to eliminate duplicates Z: 13 20.849 1.922 0.613 0.898 1.000 0.917 CB 1.388 13 residues pruned to eliminate duplicates Z: 45 65.639 2.299 0.937 0.824 0.932 0.682 CB 1.802 45 residues pruned to eliminate duplicates Z: 14 20.525 1.826 0.745 0.817 1.000 0.692 CA 1.357 14 residues pruned to eliminate duplicates Z: 9 15.370 2.090 0.397 0.863 0.875 0.625 N 1.561 Z: 21 26.656 1.897 0.478 0.905 1.000 0.850 CA 1.513 21 residues pruned to eliminate duplicates Z: 26 40.880 2.067 0.906 0.941 0.920 0.680 CA 1.565 26 residues pruned to eliminate duplicates Z: 13 19.768 2.041 0.607 0.744 1.000 0.750 CB 1.399 13 residues pruned to eliminate duplicates Z: 28 42.401 2.123 0.863 0.925 0.963 0.815 CA 1.503 28 residues pruned to eliminate duplicates Z: 9 16.675 2.128 0.163 0.908 1.000 0.750 CA 1.691 9 residues pruned to eliminate duplicates Z: 16 34.700 2.100 1.081 0.928 1.000 0.800 CA 1.436 16 residues pruned to eliminate duplicates Z: 8 16.821 2.110 0.848 0.853 0.857 0.714 N 1.406 8 residues pruned to eliminate duplicates Z: 18 35.157 2.102 1.004 0.805 0.882 0.824 CA 1.758 18 residues pruned to eliminate duplicates Z: 29 53.301 2.352 0.865 0.934 0.964 0.750 CA 1.661 29 residues pruned to eliminate duplicates Z: 12 10.474 1.875 0.230 0.621 0.909 0.455 CA 1.344 12 residues pruned to eliminate duplicates Z: 15 36.891 2.201 0.749 0.916 1.000 0.786 N 1.809 15 residues pruned to eliminate duplicates Z: 28 37.251 2.071 0.652 0.924 1.000 0.926 CA 1.471 28 residues pruned to eliminate duplicates Z: 19 36.148 1.979 1.054 0.814 1.000 0.833 CA 1.596 19 residues pruned to eliminate duplicates Z: 38 27.140 2.177 0.572 0.435 0.919 0.514 CB 1.517 39 residues pruned to eliminate duplicates Z: 12 22.892 2.107 0.654 0.930 1.000 0.727 CB 1.385 12 residues pruned to eliminate duplicates Z: 12 24.042 2.007 0.791 0.860 1.000 0.727 CB 1.483 12 residues pruned to eliminate duplicates Z: 6 6.711 1.935 0.227 0.641 1.000 0.600 CA 1.108 6 residues pruned to eliminate duplicates Z: 16 30.219 2.211 1.106 0.918 1.000 0.600 CB 1.182 16 residues pruned to eliminate duplicates Z: 19 21.333 1.797 0.700 0.921 0.944 0.833 CB 1.226 19 residues pruned to eliminate duplicates Z: 28 53.970 2.346 0.970 0.899 0.926 0.926 CB 1.735 28 residues pruned to eliminate duplicates Z: 62 47.123 2.119 0.615 0.668 0.951 0.738 CB 1.588 62 residues pruned to eliminate duplicates Z: 29 38.456 2.047 0.899 0.876 0.929 0.571 CA 1.463 29 residues pruned to eliminate duplicates Z: 27 47.218 2.126 0.957 0.928 0.962 0.538 CA 1.620 28 residues pruned to eliminate duplicates Z: 14 39.777 2.338 0.802 0.898 1.000 0.769 CA 1.873 14 residues pruned to eliminate duplicates Z: 18 23.798 1.827 0.649 0.941 1.000 0.882 CB 1.329 18 residues pruned to eliminate duplicates Z: 12 17.235 1.958 0.782 0.543 0.909 0.545 CB 1.570 12 residues pruned to eliminate duplicates Z: 16 36.923 2.197 0.840 0.825 1.000 0.800 CA 1.780 16 residues pruned to eliminate duplicates Z: 11 25.928 1.936 1.030 0.940 1.000 0.600 CB 1.449 11 residues pruned to eliminate duplicates Z: 129 72.059 2.121 0.763 0.662 0.961 0.625 CB 1.526 113 residues pruned to eliminate duplicates Z: 67 38.468 2.123 0.707 0.486 0.864 0.485 CB 1.535 67 residues pruned to eliminate duplicates Z: 29 38.707 2.085 0.699 0.906 0.964 0.786 CA 1.522 29 residues pruned to eliminate duplicates Z: 10 18.620 1.910 0.958 0.847 0.889 0.667 CA 1.386 10 residues pruned to eliminate duplicates Z: 53 51.784 2.099 0.692 0.710 0.981 0.673 CB 1.704 53 residues pruned to eliminate duplicates Z: 8 14.729 2.139 0.292 0.823 1.000 0.857 CA 1.523 7 residues pruned to eliminate duplicates Z: 15 40.842 2.149 1.097 0.927 1.000 0.857 N 1.698 15 residues pruned to eliminate duplicates Z: 20 28.053 1.930 0.621 0.899 0.947 0.684 CB 1.552 20 residues pruned to eliminate duplicates Z: 12 21.533 2.105 0.582 0.840 1.000 0.727 CA 1.454 12 residues pruned to eliminate duplicates Z: 7 6.197 1.319 0.425 0.841 1.000 0.833 CA 1.003 Z: 11 18.339 1.889 0.640 0.830 1.000 0.900 CA 1.407 11 residues pruned to eliminate duplicates Z: 21 43.039 2.099 0.969 0.937 1.000 0.350 CA 1.620 38 residues pruned to eliminate duplicates Z: 14 47.222 2.378 1.063 0.933 1.000 0.846 CA 1.863 14 residues pruned to eliminate duplicates Z: 21 27.394 1.858 0.437 0.925 1.000 0.850 CB 1.609 21 residues pruned to eliminate duplicates Z: 13 16.086 1.869 0.374 0.892 1.000 0.750 CB 1.299 13 residues pruned to eliminate duplicates Z: 18 28.430 1.925 1.022 0.887 0.941 0.647 CA 1.357 18 residues pruned to eliminate duplicates Z: 12 21.850 2.126 0.520 0.858 1.000 0.727 CA 1.502 12 residues pruned to eliminate duplicates Z: 18 25.027 2.090 0.775 0.890 1.000 0.882 CB 1.177 16 residues pruned to eliminate duplicates Z: 10 18.930 2.385 0.319 0.894 1.000 0.667 CB 1.438 10 residues pruned to eliminate duplicates Z: 57 48.818 2.177 0.699 0.658 0.964 0.696 CB 1.579 61 residues pruned to eliminate duplicates Z: 15 33.232 2.190 1.128 0.886 1.000 0.786 CB 1.375 15 residues pruned to eliminate duplicates Z: 12 14.557 1.796 0.522 0.698 0.909 0.455 N 1.475 9 residues pruned to eliminate duplicates Z: 15 27.997 2.283 0.700 0.887 1.000 0.786 CB 1.391 14 residues pruned to eliminate duplicates Z: 16 36.801 2.113 1.004 0.899 1.000 0.733 CA 1.604 16 residues pruned to eliminate duplicates Z: 33 33.541 2.059 0.831 0.636 0.906 0.688 CB 1.528 33 residues pruned to eliminate duplicates Z: 17 28.980 1.947 1.045 0.934 1.000 0.875 CB 1.269 17 residues pruned to eliminate duplicates Z: 30 27.349 2.075 0.892 0.681 0.897 0.517 CB 1.222 18 residues pruned to eliminate duplicates Z: 45 34.363 2.021 0.540 0.668 0.909 0.659 CB 1.568 45 residues pruned to eliminate duplicates Z: 11 14.173 1.971 0.224 0.721 1.000 0.600 N 1.522 11 residues pruned to eliminate duplicates Z: 17 32.318 2.072 0.942 0.939 1.000 0.938 CA 1.395 17 residues pruned to eliminate duplicates Z: 13 19.189 2.055 0.594 0.825 1.000 0.833 CB 1.277 13 residues pruned to eliminate duplicates Z: 7 7.326 1.845 0.677 0.778 0.500 0.333 CA 1.513 7 residues pruned to eliminate duplicates Z: 10 23.397 2.099 0.932 0.933 1.000 0.556 CB 1.342 10 residues pruned to eliminate duplicates Z: 19 35.613 2.080 0.935 0.736 0.944 0.722 CA 1.786 19 residues pruned to eliminate duplicates Z: 62 39.527 2.198 0.715 0.529 0.852 0.590 CB 1.531 62 residues pruned to eliminate duplicates Z: 19 33.605 2.008 0.959 0.801 0.944 0.556 CA 1.639 19 residues pruned to eliminate duplicates Z: 39 32.892 2.117 0.721 0.660 0.921 0.579 CB 1.370 43 residues pruned to eliminate duplicates Z: 16 35.414 2.132 1.149 0.884 0.933 0.800 CB 1.545 16 residues pruned to eliminate duplicates Z: 25 40.875 2.135 0.751 0.942 0.958 0.792 CA 1.615 25 residues pruned to eliminate duplicates Z: 19 36.964 2.059 0.815 0.826 1.000 0.833 CA 1.757 19 residues pruned to eliminate duplicates Z: 12 20.923 2.002 0.548 0.875 1.000 0.909 CB 1.480 12 residues pruned to eliminate duplicates Z: 28 35.446 2.128 0.616 0.930 0.926 0.852 CA 1.498 28 residues pruned to eliminate duplicates Z: 15 40.454 2.125 1.182 0.918 1.000 0.857 CB 1.644 15 residues pruned to eliminate duplicates Z: 13 14.492 1.834 0.313 0.864 1.000 0.833 CB 1.273 13 residues pruned to eliminate duplicates Z: 40 33.508 2.121 0.695 0.675 0.872 0.564 CB 1.458 40 residues pruned to eliminate duplicates Z: 9 13.448 1.863 0.865 0.682 1.000 0.625 CB 1.158 9 residues pruned to eliminate duplicates Z: 19 24.228 2.001 0.814 0.881 1.000 0.833 CB 1.139 19 residues pruned to eliminate duplicates Z: 61 45.470 2.194 0.757 0.550 0.933 0.717 CB 1.553 61 residues pruned to eliminate duplicates Z: 9 20.681 1.948 0.714 0.860 1.000 0.625 CB 1.611 9 residues pruned to eliminate duplicates Z: 10 20.253 2.159 0.476 0.844 1.000 0.778 CA 1.577 10 residues pruned to eliminate duplicates Z: 43 35.976 2.273 0.588 0.539 0.905 0.595 CB 1.636 43 residues pruned to eliminate duplicates Z: 7 9.246 1.641 0.506 0.765 1.000 0.667 CA 1.207 Z: 12 22.844 1.977 0.686 0.927 1.000 1.000 CB 1.447 12 residues pruned to eliminate duplicates Z: 18 36.389 2.036 0.935 0.797 0.941 0.647 CA 1.836 18 residues pruned to eliminate duplicates Z: 13 24.348 2.230 0.553 0.912 1.000 0.833 CB 1.437 13 residues pruned to eliminate duplicates Z: 13 19.512 2.062 0.705 0.834 0.917 0.833 CA 1.310 13 residues pruned to eliminate duplicates Z: 18 36.645 2.076 0.878 0.779 1.000 0.824 CA 1.782 18 residues pruned to eliminate duplicates Z: 10 18.390 1.880 0.614 0.920 1.000 1.000 CB 1.423 10 residues pruned to eliminate duplicates Z: 17 13.216 1.561 0.487 0.744 0.938 0.562 CA 1.220 Z: 9 23.144 2.407 0.594 0.824 1.000 0.625 CA 1.611 9 residues pruned to eliminate duplicates Z: 85 75.102 2.248 1.013 0.741 0.940 0.738 CB 1.551 86 residues pruned to eliminate duplicates Z: 19 22.695 1.939 0.250 0.941 1.000 0.833 CB 1.531 19 residues pruned to eliminate duplicates Z: 53 40.489 2.211 0.756 0.537 0.885 0.654 CB 1.577 53 residues pruned to eliminate duplicates Z: 12 10.556 1.721 0.308 0.708 0.818 0.636 CB 1.431 12 residues pruned to eliminate duplicates Z: 8 9.522 1.613 1.328 0.563 1.000 0.571 CB 0.901 Z: 18 35.585 2.146 0.755 0.808 0.941 0.588 CA 1.860 18 residues pruned to eliminate duplicates Z: 14 47.466 2.346 1.099 0.928 1.000 0.923 N 1.872 14 residues pruned to eliminate duplicates Z: 12 25.797 2.143 0.790 0.853 0.909 0.818 CB 1.648 12 residues pruned to eliminate duplicates Z: 16 35.507 2.145 1.249 0.921 0.933 0.600 CA 1.433 16 residues pruned to eliminate duplicates Z: 92 46.183 2.135 0.597 0.541 0.879 0.571 CB 1.553 90 residues pruned to eliminate duplicates Z: 18 37.689 2.133 0.934 0.820 0.941 0.647 CB 1.784 18 residues pruned to eliminate duplicates Z: 16 33.947 2.106 1.046 0.892 0.933 0.800 CA 1.566 16 residues pruned to eliminate duplicates Z: 26 23.578 2.187 0.470 0.449 0.920 0.520 CB 1.680 24 residues pruned to eliminate duplicates Z: 14 23.719 2.137 0.674 0.692 1.000 0.769 CA 1.543 14 residues pruned to eliminate duplicates Z: 28 36.724 2.111 0.591 0.931 1.000 0.815 CA 1.470 28 residues pruned to eliminate duplicates Z: 53 32.804 2.118 0.711 0.495 0.865 0.462 CB 1.458 53 residues pruned to eliminate duplicates Z: 19 28.701 1.999 0.659 0.918 0.944 0.667 CB 1.524 20 residues pruned to eliminate duplicates Z: 12 13.606 1.607 0.582 0.862 1.000 0.818 CB 1.185 Z: 28 48.823 2.125 0.957 0.935 0.963 0.630 CA 1.634 28 residues pruned to eliminate duplicates Z: 9 15.472 1.930 1.064 0.645 1.000 0.875 CB 1.199 8 residues pruned to eliminate duplicates Z: 17 27.473 2.156 0.711 0.908 1.000 0.812 CB 1.323 17 residues pruned to eliminate duplicates Z: 18 22.484 2.115 0.551 0.885 1.000 0.882 CB 1.200 18 residues pruned to eliminate duplicates Z: 43 41.415 1.946 0.759 0.870 0.952 0.667 CA 1.431 43 residues pruned to eliminate duplicates Z: 13 17.528 1.780 0.822 0.809 0.917 0.750 CA 1.300 13 residues pruned to eliminate duplicates Z: 15 20.090 1.826 0.721 0.873 1.000 0.857 CA 1.244 14 residues pruned to eliminate duplicates Z: 15 22.670 1.786 0.845 0.847 1.000 0.643 CA 1.365 15 residues pruned to eliminate duplicates Z: 30 39.482 2.083 0.803 0.901 0.897 0.724 CA 1.554 30 residues pruned to eliminate duplicates Z: 27 52.741 2.106 1.034 0.959 1.000 0.231 CB 1.655 27 residues pruned to eliminate duplicates Z: 14 27.498 2.144 0.692 0.912 1.000 1.000 CA 1.489 14 residues pruned to eliminate duplicates Z: 38 34.550 2.163 0.619 0.694 0.919 0.757 CB 1.478 38 residues pruned to eliminate duplicates Z: 9 16.794 1.955 0.475 0.910 1.000 0.875 N 1.460 9 residues pruned to eliminate duplicates Z: 13 16.905 2.028 0.421 0.737 0.917 0.417 CA 1.494 13 residues pruned to eliminate duplicates Z: 7 5.798 1.794 0.235 0.383 1.000 0.833 CA 1.211 7 residues pruned to eliminate duplicates Z: 19 38.456 2.035 0.859 0.811 1.000 0.611 CA 1.828 19 residues pruned to eliminate duplicates Z: 28 47.218 2.093 1.045 0.939 0.926 0.444 CB 1.593 28 residues pruned to eliminate duplicates Z: 10 12.911 1.916 0.259 0.812 0.889 0.444 CB 1.530 10 residues pruned to eliminate duplicates Z: 16 29.383 2.176 0.961 0.883 0.867 0.667 CA 1.483 16 residues pruned to eliminate duplicates Z: 28 29.184 2.144 0.746 0.690 0.963 0.630 CB 1.309 28 residues pruned to eliminate duplicates Z: 19 32.853 1.992 0.741 0.921 1.000 0.722 CB 1.570 19 residues pruned to eliminate duplicates Z: 40 34.250 2.125 0.712 0.657 0.897 0.692 CB 1.452 40 residues pruned to eliminate duplicates Z: 11 5.988 1.907 0.156 0.323 0.800 0.600 CA 1.304 10 residues pruned to eliminate duplicates Z: 31 21.810 1.645 0.633 0.804 0.867 0.467 CB 1.312 30 residues pruned to eliminate duplicates Z: 14 22.733 1.918 0.657 0.887 1.000 0.846 CB 1.430 15 residues pruned to eliminate duplicates Z: 24 17.219 1.959 0.620 0.473 0.826 0.565 CA 1.408 24 residues pruned to eliminate duplicates Z: 25 21.317 1.946 0.369 0.641 0.917 0.500 CB 1.561 25 residues pruned to eliminate duplicates Z: 6 8.665 1.833 0.815 0.695 0.800 0.200 CA 1.218 6 residues pruned to eliminate duplicates Z: 20 23.843 1.798 0.792 0.922 0.947 0.737 CB 1.260 20 residues pruned to eliminate duplicates Z: 9 10.492 1.564 0.961 0.813 0.750 0.500 CB 1.228 Z: 10 8.858 2.100 0.675 0.543 0.778 0.556 CB 1.035 10 residues pruned to eliminate duplicates Z: 29 28.104 2.089 0.943 0.699 0.929 0.571 CB 1.175 29 residues pruned to eliminate duplicates Z: 14 19.580 1.842 0.511 0.906 1.000 0.846 CA 1.387 14 residues pruned to eliminate duplicates Z: 19 24.076 1.809 0.634 0.929 1.000 0.889 CB 1.344 19 residues pruned to eliminate duplicates Z: 46 66.273 2.276 0.923 0.842 0.956 0.733 CA 1.761 46 residues pruned to eliminate duplicates Z: 93 47.274 2.123 0.579 0.547 0.924 0.543 CB 1.520 93 residues pruned to eliminate duplicates Z: 15 33.576 2.231 1.144 0.904 0.857 0.643 CA 1.560 15 residues pruned to eliminate duplicates Z: 16 25.920 2.214 0.754 0.921 1.000 0.933 CB 1.213 16 residues pruned to eliminate duplicates Z: 16 24.895 2.082 0.484 0.915 1.000 1.000 CA 1.471 16 residues pruned to eliminate duplicates Z: 66 41.872 2.140 0.643 0.593 0.892 0.677 CB 1.514 66 residues pruned to eliminate duplicates Z: 11 16.185 1.932 0.482 0.896 0.900 0.800 CB 1.423 11 residues pruned to eliminate duplicates Z: 16 35.342 2.116 1.045 0.896 1.000 0.933 CA 1.510 15 residues pruned to eliminate duplicates Z: 28 44.659 2.098 0.813 0.941 0.963 0.556 CA 1.629 28 residues pruned to eliminate duplicates Z: 13 12.849 1.791 -0.053 0.911 1.000 0.833 CB 1.551 13 residues pruned to eliminate duplicates Z: 6 8.368 1.723 1.070 0.576 1.000 0.800 CB 0.975 Z: 9 8.551 1.812 0.370 0.761 0.625 0.625 C 1.545 9 residues pruned to eliminate duplicates Z: 22 30.980 1.843 0.741 0.891 1.000 0.714 CB 1.514 22 residues pruned to eliminate duplicates Z: 16 25.145 2.179 0.699 0.932 1.000 1.000 CB 1.225 16 residues pruned to eliminate duplicates Z: 22 24.741 1.810 0.471 0.884 1.000 0.714 CA 1.466 22 residues pruned to eliminate duplicates Z: 72 45.040 2.182 0.625 0.572 0.915 0.620 CB 1.536 72 residues pruned to eliminate duplicates Z: 20 25.635 1.800 0.718 0.909 1.000 0.789 CB 1.350 20 residues pruned to eliminate duplicates Z: 12 6.217 1.789 -0.043 0.313 1.000 0.273 CA 1.347 12 residues pruned to eliminate duplicates Z: 11 21.479 1.967 0.977 0.845 0.900 0.700 CB 1.443 11 residues pruned to eliminate duplicates Z: 88 51.696 2.188 0.699 0.590 0.908 0.644 CB 1.507 88 residues pruned to eliminate duplicates Z: 18 9.696 1.960 0.490 0.293 0.765 0.588 CB 1.328 18 residues pruned to eliminate duplicates Z: 17 24.890 2.135 0.833 0.911 1.000 0.812 CB 1.126 17 residues pruned to eliminate duplicates Z: 29 67.334 2.300 1.211 0.932 1.000 0.429 CB 1.748 29 residues pruned to eliminate duplicates Z: 13 16.795 1.899 0.953 0.838 0.750 0.250 CB 1.303 13 residues pruned to eliminate duplicates Z: 17 30.732 1.985 1.040 0.891 1.000 0.938 CB 1.363 17 residues pruned to eliminate duplicates Z: 47 50.074 2.167 0.742 0.684 0.978 0.674 CB 1.688 47 residues pruned to eliminate duplicates Z: 14 47.889 2.352 1.112 0.931 1.000 0.769 CB 1.869 14 residues pruned to eliminate duplicates Z: 30 41.283 2.175 0.720 0.689 1.000 0.759 CA 1.723 40 residues pruned to eliminate duplicates Z: 20 26.402 1.883 0.390 0.934 1.000 0.947 CB 1.614 20 residues pruned to eliminate duplicates Z: 115 76.470 2.195 0.908 0.668 0.912 0.570 CB 1.605 102 residues pruned to eliminate duplicates Z: 20 23.352 1.789 0.720 0.925 0.947 0.526 CB 1.290 20 residues pruned to eliminate duplicates Z: 15 29.817 2.085 1.013 0.938 1.000 0.643 CB 1.320 15 residues pruned to eliminate duplicates Z: 13 11.800 2.050 0.410 0.738 0.750 0.667 CA 1.269 13 residues pruned to eliminate duplicates Z: 12 20.476 1.954 0.544 0.918 1.000 1.000 CB 1.443 12 residues pruned to eliminate duplicates Z: 15 22.352 1.803 0.815 0.894 1.000 0.929 CA 1.310 15 residues pruned to eliminate duplicates Z: 17 11.327 1.504 0.514 0.784 1.000 0.750 CB 0.969 11 residues pruned to eliminate duplicates Z: 18 37.772 2.080 0.976 0.809 1.000 0.824 CA 1.703 18 residues pruned to eliminate duplicates Z: 11 19.190 2.042 0.851 0.673 0.800 0.700 CA 1.711 11 residues pruned to eliminate duplicates Z: 28 66.193 2.379 1.178 0.914 1.000 0.852 CB 1.739 28 residues pruned to eliminate duplicates Z: 16 36.977 2.278 1.030 0.883 1.000 0.667 CB 1.494 16 residues pruned to eliminate duplicates Z: 10 21.514 2.192 0.472 0.882 1.000 0.889 CB 1.609 10 residues pruned to eliminate duplicates Z: 16 3.098 1.488 0.360 0.168 0.533 0.200 CB 1.109 Z: 10 4.978 1.519 0.622 0.393 0.778 0.444 N 0.969 Z: 11 23.875 1.974 0.811 0.904 1.000 0.500 CB 1.505 11 residues pruned to eliminate duplicates Z: 39 36.869 2.135 0.902 0.693 0.947 0.579 CB 1.303 40 residues pruned to eliminate duplicates Z: 17 18.479 2.034 0.660 0.507 0.875 0.312 CB 1.553 17 residues pruned to eliminate duplicates Z: 43 43.399 1.923 0.841 0.854 0.952 0.595 CB 1.467 44 residues pruned to eliminate duplicates Z: 40 21.718 2.087 0.506 0.351 0.872 0.513 CB 1.491 40 residues pruned to eliminate duplicates Z: 12 11.739 1.610 0.430 0.877 1.000 0.727 CB 1.116 12 residues pruned to eliminate duplicates Z: 6 6.553 1.465 1.125 0.657 0.800 0.800 CB 1.017 Z: 15 34.361 2.207 1.020 0.935 1.000 0.786 CA 1.435 15 residues pruned to eliminate duplicates Z: 20 26.415 1.900 0.517 0.925 1.000 0.632 CB 1.475 20 residues pruned to eliminate duplicates Z: 59 34.500 2.236 0.622 0.470 0.845 0.603 CB 1.524 59 residues pruned to eliminate duplicates Z: 8 7.215 1.395 0.361 0.856 1.000 0.714 CA 1.059 8 residues pruned to eliminate duplicates Z: 8 6.639 2.144 0.287 0.355 0.857 0.571 CB 1.242 8 residues pruned to eliminate duplicates Z: 52 36.224 2.029 0.581 0.579 0.941 0.627 CB 1.557 52 residues pruned to eliminate duplicates Z: 11 6.209 1.999 0.319 0.290 0.800 0.700 CB 1.179 11 residues pruned to eliminate duplicates Z: 9 7.845 1.719 0.143 0.815 1.000 0.750 CA 1.074 9 residues pruned to eliminate duplicates Z: 12 19.887 2.088 0.391 0.879 1.000 0.727 CA 1.497 12 residues pruned to eliminate duplicates Z: 20 18.250 1.740 0.386 0.908 0.947 0.842 CB 1.301 20 residues pruned to eliminate duplicates Z: 16 36.288 2.105 1.018 0.905 1.000 0.533 CA 1.570 16 residues pruned to eliminate duplicates Z: 16 28.788 2.230 0.779 0.890 1.000 0.667 CB 1.348 16 residues pruned to eliminate duplicates Z: 27 18.111 2.077 0.521 0.525 0.846 0.615 CB 1.297 27 residues pruned to eliminate duplicates Z: 9 15.152 1.739 0.776 0.886 0.875 0.500 CA 1.430 8 residues pruned to eliminate duplicates Z: 29 11.673 1.656 0.702 0.503 0.786 0.500 CB 0.994 27 residues pruned to eliminate duplicates Z: 10 11.529 1.629 0.792 0.723 0.889 0.333 CB 1.211 10 residues pruned to eliminate duplicates Z: 16 18.882 2.019 0.381 0.906 0.933 0.800 CB 1.332 16 residues pruned to eliminate duplicates Z: 8 2.957 1.485 0.745 0.308 0.714 0.571 CB 0.747 Z: 11 19.603 2.204 0.738 0.836 0.900 0.900 CB 1.346 11 residues pruned to eliminate duplicates Z: 15 24.961 2.094 0.547 0.900 1.000 0.786 CA 1.471 15 residues pruned to eliminate duplicates Z: 10 19.983 2.236 0.601 0.792 0.889 0.778 CA 1.621 10 residues pruned to eliminate duplicates Z: 27 44.773 2.133 0.897 0.943 0.923 0.654 CB 1.630 27 residues pruned to eliminate duplicates Z: 20 27.163 1.938 0.523 0.869 1.000 0.684 CB 1.542 20 residues pruned to eliminate duplicates Z: 16 14.541 1.562 0.443 0.827 1.000 0.733 CA 1.255 16 residues pruned to eliminate duplicates Z: 17 21.568 2.139 0.403 0.921 1.000 1.000 CB 1.265 17 residues pruned to eliminate duplicates Z: 15 30.265 2.099 1.173 0.922 0.929 0.571 CB 1.343 15 residues pruned to eliminate duplicates Z: 93 49.269 2.082 0.593 0.583 0.913 0.620 CB 1.566 80 residues pruned to eliminate duplicates Z: 13 9.116 2.024 0.321 0.289 0.917 0.500 CB 1.361 13 residues pruned to eliminate duplicates Z: 12 22.174 2.139 0.594 0.841 1.000 0.909 CA 1.462 12 residues pruned to eliminate duplicates Z: 9 12.577 1.916 0.513 0.659 1.000 0.750 CB 1.323 9 residues pruned to eliminate duplicates Z: 16 37.663 2.126 1.085 0.894 1.000 0.733 CA 1.574 16 residues pruned to eliminate duplicates Z: 19 11.719 2.074 0.070 0.547 0.833 0.556 CB 1.427 19 residues pruned to eliminate duplicates Z: 14 12.272 1.662 0.139 0.892 1.000 0.923 CA 1.292 14 residues pruned to eliminate duplicates Z: 17 23.436 2.103 0.700 0.892 1.000 0.875 CB 1.177 17 residues pruned to eliminate duplicates Z: 15 10.435 1.891 0.415 0.413 0.857 0.500 CB 1.332 15 residues pruned to eliminate duplicates Z: 14 17.039 1.780 0.425 0.905 0.923 0.692 N 1.436 14 residues pruned to eliminate duplicates Z: 20 20.842 1.870 0.279 0.914 0.947 0.789 CA 1.493 20 residues pruned to eliminate duplicates Z: 11 10.678 1.760 0.358 0.818 0.900 0.400 CB 1.190 11 residues pruned to eliminate duplicates Z: 16 34.655 2.112 0.966 0.919 1.000 0.667 CA 1.519 16 residues pruned to eliminate duplicates Z: 19 16.730 1.766 0.376 0.905 0.889 0.667 CB 1.299 19 residues pruned to eliminate duplicates Z: 11 23.507 2.189 0.662 0.906 1.000 0.900 CB 1.453 11 residues pruned to eliminate duplicates Z: 20 20.576 1.759 0.418 0.927 1.000 0.789 CB 1.326 20 residues pruned to eliminate duplicates Z: 10 11.001 1.662 0.369 0.848 0.889 0.889 CB 1.345 Z: 6 13.402 1.892 0.693 0.748 1.000 1.000 C 1.499 Z: 10 11.690 1.576 0.490 0.768 1.000 0.444 CB 1.309 10 residues pruned to eliminate duplicates Z: 16 36.484 2.306 0.905 0.893 1.000 0.733 CB 1.540 16 residues pruned to eliminate duplicates Z: 52 51.393 2.116 0.724 0.701 0.980 0.706 CB 1.676 52 residues pruned to eliminate duplicates Z: 81 53.134 2.042 0.740 0.702 0.913 0.613 CB 1.523 81 residues pruned to eliminate duplicates Z: 22 18.332 1.912 0.248 0.663 0.952 0.762 CB 1.514 22 residues pruned to eliminate duplicates Z: 11 20.593 1.965 0.611 0.884 1.000 0.700 CB 1.486 11 residues pruned to eliminate duplicates Z: 27 37.352 2.033 0.865 0.854 0.962 0.846 CA 1.483 27 residues pruned to eliminate duplicates Z: 12 11.935 1.549 0.640 0.862 1.000 0.818 CA 1.040 12 residues pruned to eliminate duplicates Z: 116 63.764 2.112 0.760 0.654 0.913 0.635 CB 1.519 116 residues pruned to eliminate duplicates Z: 10 8.143 2.029 0.250 0.388 0.889 0.667 CB 1.356 10 residues pruned to eliminate duplicates Z: 10 9.562 1.654 0.351 0.831 1.000 0.556 CB 1.072 10 residues pruned to eliminate duplicates Z: 18 42.946 2.273 1.037 0.765 1.000 0.765 CA 1.778 18 residues pruned to eliminate duplicates Z: 13 15.603 1.797 0.261 0.922 0.917 0.750 CB 1.526 13 residues pruned to eliminate duplicates Z: 14 30.337 2.196 0.872 0.870 0.923 0.615 CB 1.619 14 residues pruned to eliminate duplicates Z: 12 20.835 1.994 0.637 0.812 1.000 0.545 CB 1.467 12 residues pruned to eliminate duplicates Z: 10 12.003 1.693 0.803 0.810 0.889 0.444 CB 1.125 10 residues pruned to eliminate duplicates Z: 20 22.384 1.773 0.663 0.923 1.000 0.789 CB 1.223 20 residues pruned to eliminate duplicates Z: 81 45.256 2.106 0.551 0.604 0.925 0.588 CB 1.517 81 residues pruned to eliminate duplicates Z: 28 39.396 2.103 0.755 0.904 0.926 0.889 CA 1.580 28 residues pruned to eliminate duplicates Z: 10 16.058 1.876 0.550 0.870 0.889 0.667 CB 1.512 10 residues pruned to eliminate duplicates Z: 18 25.338 1.979 0.674 0.811 0.941 0.882 CA 1.503 18 residues pruned to eliminate duplicates Z: 13 3.967 1.763 0.227 0.170 0.667 0.250 CA 1.184 13 residues pruned to eliminate duplicates Z: 11 17.956 1.936 0.513 0.917 1.000 0.800 CB 1.368 11 residues pruned to eliminate duplicates Z: 103 78.066 2.163 0.970 0.709 0.931 0.500 CB 1.610 103 residues pruned to eliminate duplicates Z: 20 29.429 1.910 0.729 0.911 1.000 0.632 CB 1.448 20 residues pruned to eliminate duplicates Z: 11 12.118 1.992 0.329 0.713 0.900 0.400 CB 1.326 11 residues pruned to eliminate duplicates Z: 106 81.024 2.197 0.989 0.701 0.943 0.524 CB 1.598 106 residues pruned to eliminate duplicates Z: 27 23.119 2.172 0.543 0.447 0.923 0.654 CB 1.547 27 residues pruned to eliminate duplicates Z: 29 31.950 2.108 0.912 0.765 0.964 0.607 CB 1.228 29 residues pruned to eliminate duplicates Z: 18 24.892 2.000 0.719 0.880 1.000 0.882 CB 1.273 18 residues pruned to eliminate duplicates Z: 62 46.359 2.119 0.599 0.659 0.951 0.721 CB 1.590 62 residues pruned to eliminate duplicates Z: 6 5.988 1.742 0.262 0.425 1.000 1.000 CA 1.317 6 residues pruned to eliminate duplicates Z: 9 11.290 1.695 0.492 0.852 1.000 0.750 CB 1.168 9 residues pruned to eliminate duplicates Z: 13 17.936 2.069 0.861 0.748 0.833 0.667 CB 1.293 13 residues pruned to eliminate duplicates Z: 13 15.327 1.992 0.503 0.794 1.000 0.750 CB 1.141 13 residues pruned to eliminate duplicates Z: 27 46.575 2.121 0.916 0.926 0.962 0.538 CA 1.639 27 residues pruned to eliminate duplicates Z: 20 32.677 1.960 0.617 0.907 1.000 0.842 CB 1.681 20 residues pruned to eliminate duplicates Z: 81 80.837 2.253 0.954 0.729 0.963 0.625 CB 1.735 81 residues pruned to eliminate duplicates Z: 17 24.637 2.160 0.658 0.890 1.000 0.938 CB 1.237 17 residues pruned to eliminate duplicates Z: 18 21.663 1.825 0.564 0.921 1.000 0.706 CB 1.295 18 residues pruned to eliminate duplicates Z: 20 22.234 1.781 0.676 0.929 1.000 0.842 CB 1.196 20 residues pruned to eliminate duplicates Z: 17 33.713 2.070 1.046 0.840 0.875 0.500 CA 1.697 17 residues pruned to eliminate duplicates Z: 11 9.272 1.652 0.297 0.841 1.000 0.900 CB 1.021 11 residues pruned to eliminate duplicates Z: 6 5.723 1.623 0.732 0.667 1.000 0.400 CB 0.780 Z: 6 10.847 1.866 0.613 0.837 1.000 1.000 CA 1.206 6 residues pruned to eliminate duplicates Z: 19 18.274 1.792 0.498 0.885 0.944 0.722 CB 1.227 19 residues pruned to eliminate duplicates Z: 6 8.140 1.661 0.783 0.439 1.000 0.600 N 1.308 6 residues pruned to eliminate duplicates Z: 91 52.946 2.160 0.709 0.552 0.933 0.589 CB 1.539 92 residues pruned to eliminate duplicates Z: 6 7.591 1.691 0.428 0.713 1.000 0.800 CB 1.159 6 residues pruned to eliminate duplicates Z: 8 12.666 1.646 0.748 0.902 1.000 1.000 CA 1.186 Z: 12 18.927 1.708 1.120 0.829 1.000 0.545 CA 1.186 12 residues pruned to eliminate duplicates Z: 25 20.502 1.770 0.498 0.780 0.958 0.750 CB 1.287 23 residues pruned to eliminate duplicates Z: 20 24.564 1.786 0.669 0.934 1.000 0.579 CB 1.319 20 residues pruned to eliminate duplicates Z: 11 13.409 1.847 0.397 0.783 0.900 0.600 CA 1.423 11 residues pruned to eliminate duplicates Z: 12 17.319 1.785 0.350 0.941 1.000 0.818 CB 1.504 12 residues pruned to eliminate duplicates Z: 14 31.957 2.333 1.087 0.880 1.000 0.692 CB 1.320 14 residues pruned to eliminate duplicates Z: 9 14.134 1.889 0.446 0.853 1.000 0.625 CA 1.353 9 residues pruned to eliminate duplicates Z: 17 31.986 2.115 0.692 0.826 0.938 0.688 CA 1.797 17 residues pruned to eliminate duplicates 6 0.738 1.185 0.239 0.338 0.400 0.400 CB 0.670 ? Z: 19 13.657 1.923 0.535 0.482 0.778 0.556 CB 1.427 19 residues pruned to eliminate duplicates Z: 8 6.688 1.820 0.055 0.679 0.857 0.857 CB 1.303 8 residues pruned to eliminate duplicates Z: 73 47.937 2.155 0.764 0.584 0.931 0.569 CB 1.473 73 residues pruned to eliminate duplicates Z: 8 9.923 1.718 0.393 0.888 0.857 0.857 CA 1.318 8 residues pruned to eliminate duplicates Z: 10 11.919 1.705 0.588 0.893 0.778 0.667 N 1.354 11 residues pruned to eliminate duplicates Z: 9 15.440 1.926 1.361 0.618 0.875 0.750 CB 1.227 9 residues pruned to eliminate duplicates Z: 63 40.609 2.166 0.732 0.489 0.887 0.565 CB 1.566 63 residues pruned to eliminate duplicates Z: 25 38.782 2.154 0.728 0.941 0.958 0.833 CA 1.540 25 residues pruned to eliminate duplicates Z: 28 52.653 2.126 1.045 0.938 0.963 0.481 CB 1.683 28 residues pruned to eliminate duplicates Z: 17 32.898 2.148 1.095 0.829 0.938 0.625 CB 1.466 17 residues pruned to eliminate duplicates Z: 12 13.218 1.855 0.281 0.798 0.818 0.818 CB 1.580 12 residues pruned to eliminate duplicates Z: 11 8.262 2.023 0.397 0.517 0.700 0.600 CB 1.299 11 residues pruned to eliminate duplicates Z: 11 20.852 1.898 1.242 0.898 0.900 0.300 CB 1.231 11 residues pruned to eliminate duplicates Z: 13 21.013 1.923 0.736 0.878 0.917 0.750 CB 1.438 13 residues pruned to eliminate duplicates Z: 35 26.142 1.970 0.686 0.701 0.853 0.588 CB 1.318 35 residues pruned to eliminate duplicates Z: 7 6.273 1.896 0.338 0.628 1.000 0.667 CB 0.895 5 residues pruned to eliminate duplicates Z: 14 23.067 1.870 0.762 0.887 1.000 0.846 CA 1.400 14 residues pruned to eliminate duplicates Z: 43 40.932 2.090 0.695 0.632 0.976 0.762 CB 1.613 43 residues pruned to eliminate duplicates Z: 12 21.113 1.882 0.670 0.905 1.000 1.000 CA 1.441 12 residues pruned to eliminate duplicates Z: 28 40.505 2.093 0.818 0.916 0.963 0.556 CA 1.502 28 residues pruned to eliminate duplicates Z: 52 33.996 2.096 0.657 0.527 0.882 0.549 CB 1.512 52 residues pruned to eliminate duplicates Z: 21 22.295 1.807 0.371 0.898 1.000 0.850 CA 1.439 21 residues pruned to eliminate duplicates Z: 7 7.414 1.368 0.564 0.839 0.833 0.833 CA 1.268 Z: 14 16.529 1.763 0.365 0.896 0.923 0.615 N 1.479 14 residues pruned to eliminate duplicates Z: 11 12.717 1.739 0.375 0.885 1.000 1.000 CB 1.214 11 residues pruned to eliminate duplicates Z: 16 14.485 1.613 0.493 0.834 0.933 0.733 CA 1.248 16 residues pruned to eliminate duplicates Z: 37 30.137 2.004 0.624 0.628 0.917 0.694 CB 1.494 37 residues pruned to eliminate duplicates Z: 17 35.954 2.034 1.089 0.911 1.000 0.875 CB 1.499 17 residues pruned to eliminate duplicates Z: 8 9.453 1.756 0.280 0.848 1.000 0.714 CB 1.179 8 residues pruned to eliminate duplicates Z: 8 7.454 1.426 0.379 0.850 1.000 0.429 CB 1.062 6 residues pruned to eliminate duplicates Z: 16 33.403 2.070 1.432 0.906 0.867 0.533 CB 1.406 16 residues pruned to eliminate duplicates Z: 32 26.992 2.047 0.830 0.618 0.903 0.452 CB 1.282 32 residues pruned to eliminate duplicates Z: 13 14.914 2.024 0.500 0.751 0.917 0.833 CA 1.237 13 residues pruned to eliminate duplicates Z: 11 8.283 1.544 0.874 0.645 0.800 0.600 CB 0.988 Z: 6 3.006 1.451 0.698 0.429 0.600 0.600 CA 0.978 6 residues pruned to eliminate duplicates Z: 50 33.410 2.016 0.511 0.592 0.939 0.653 CB 1.529 50 residues pruned to eliminate duplicates Z: 17 21.960 1.934 0.500 0.938 1.000 0.875 CB 1.315 17 residues pruned to eliminate duplicates Z: 12 11.508 1.606 0.427 0.866 1.000 0.909 CB 1.108 12 residues pruned to eliminate duplicates Z: 20 22.716 1.791 0.633 0.922 0.947 0.842 CB 1.323 20 residues pruned to eliminate duplicates Z: 7 5.375 1.786 0.905 0.699 0.500 0.333 CB 1.076 7 residues pruned to eliminate duplicates Z: 12 10.697 1.670 0.521 0.756 1.000 0.636 CB 1.010 12 residues pruned to eliminate duplicates Z: 13 16.519 1.646 0.920 0.856 0.917 0.167 CB 1.213 14 residues pruned to eliminate duplicates Z: 10 21.293 2.131 0.829 0.827 0.889 0.778 CB 1.544 10 residues pruned to eliminate duplicates Z: 14 14.416 1.632 0.629 0.834 0.923 0.538 CB 1.222 14 residues pruned to eliminate duplicates Z: 6 10.478 1.638 1.110 0.789 1.000 0.800 CB 1.052 Z: 10 3.571 1.456 0.240 0.394 1.000 0.222 CB 0.737 Z: 29 46.078 2.068 0.984 0.916 0.964 0.536 CA 1.555 29 residues pruned to eliminate duplicates Z: 34 33.133 2.073 0.788 0.654 0.818 0.697 CA 1.647 34 residues pruned to eliminate duplicates Z: 6 2.805 1.665 0.451 0.267 0.600 0.600 CB 1.128 Z: 28 36.988 2.063 0.753 0.900 0.889 0.741 CA 1.582 28 residues pruned to eliminate duplicates Z: 123 74.394 2.172 0.732 0.693 0.926 0.697 CA 1.620 123 residues pruned to eliminate duplicates Z: 20 7.261 1.541 0.294 0.478 0.842 0.474 CB 1.014 16 residues pruned to eliminate duplicates Z: 14 13.393 1.904 0.506 0.748 1.000 0.769 CB 1.038 14 residues pruned to eliminate duplicates Z: 10 11.032 1.678 0.561 0.777 0.889 0.556 N 1.237 9 residues pruned to eliminate duplicates Z: 10 9.334 1.633 0.807 0.786 0.667 0.444 CB 1.230 10 residues pruned to eliminate duplicates Z: 16 22.394 2.032 0.580 0.908 0.933 0.867 CB 1.371 16 residues pruned to eliminate duplicates Z: 7 3.290 1.514 0.255 0.476 0.667 0.500 CB 1.086 8 residues pruned to eliminate duplicates Z: 25 22.167 2.179 0.535 0.488 0.875 0.625 CB 1.565 25 residues pruned to eliminate duplicates Z: 12 17.145 1.795 0.379 0.902 1.000 0.636 CB 1.489 12 residues pruned to eliminate duplicates Z: 10 4.977 1.599 0.671 0.651 0.556 0.556 CA 0.971 10 residues pruned to eliminate duplicates Z: 11 20.171 1.892 0.763 0.831 1.000 0.600 CA 1.437 11 residues pruned to eliminate duplicates Z: 11 5.006 1.706 0.336 0.386 0.700 0.500 CB 1.119 Z: 12 11.461 1.690 0.284 0.819 0.909 0.636 O 1.329 12 residues pruned to eliminate duplicates Z: 7 15.647 1.838 1.040 0.671 1.000 0.667 N 1.454 7 residues pruned to eliminate duplicates Z: 6 3.425 1.453 0.317 0.592 0.800 0.600 CA 0.917 Z: 9 5.103 1.641 0.482 0.723 0.625 0.250 CB 0.970 9 residues pruned to eliminate duplicates Z: 6 10.827 1.787 0.688 0.838 1.000 0.800 CA 1.199 6 residues pruned to eliminate duplicates Z: 29 38.725 2.062 0.747 0.914 0.929 0.643 CA 1.547 29 residues pruned to eliminate duplicates Z: 11 14.691 1.732 0.783 0.855 1.000 0.600 CB 1.111 11 residues pruned to eliminate duplicates Z: 15 18.937 2.088 0.613 0.576 0.857 0.500 CB 1.629 15 residues pruned to eliminate duplicates Z: 20 16.439 2.062 0.528 0.357 1.000 0.526 CB 1.396 20 residues pruned to eliminate duplicates Z: 22 24.081 2.153 0.632 0.635 0.810 0.667 CB 1.628 22 residues pruned to eliminate duplicates Z: 91 41.812 2.075 0.565 0.539 0.878 0.611 CB 1.488 91 residues pruned to eliminate duplicates Z: 57 37.274 2.221 0.711 0.461 0.893 0.518 CB 1.528 57 residues pruned to eliminate duplicates Z: 90 67.957 2.149 0.840 0.696 0.944 0.652 CA 1.614 90 residues pruned to eliminate duplicates Z: 16 39.380 2.148 1.389 0.936 1.000 0.533 CA 1.380 16 residues pruned to eliminate duplicates Z: 12 28.427 2.150 1.040 0.883 1.000 0.818 CB 1.413 12 residues pruned to eliminate duplicates Z: 40 29.346 2.121 0.668 0.643 0.897 0.590 CB 1.295 40 residues pruned to eliminate duplicates Z: 18 32.739 1.947 1.351 0.872 0.941 0.412 CA 1.344 18 residues pruned to eliminate duplicates Z: 41 31.678 1.960 0.706 0.662 0.950 0.650 CA 1.357 41 residues pruned to eliminate duplicates Z: 43 31.474 2.010 0.642 0.619 0.952 0.595 CB 1.380 43 residues pruned to eliminate duplicates Z: 19 34.145 1.990 0.775 0.934 1.000 0.667 CB 1.589 19 residues pruned to eliminate duplicates Z: 18 42.882 2.080 1.158 0.914 1.000 0.706 CA 1.639 18 residues pruned to eliminate duplicates Z: 100 84.968 2.284 0.918 0.735 0.949 0.576 CB 1.663 100 residues pruned to eliminate duplicates Z: 8 4.399 1.516 0.594 0.749 0.571 0.571 CA 0.965 8 residues pruned to eliminate duplicates Z: 11 24.150 1.986 0.954 0.870 1.000 0.600 CB 1.436 11 residues pruned to eliminate duplicates Z: 50 36.791 2.145 0.658 0.495 0.939 0.551 CB 1.582 50 residues pruned to eliminate duplicates Z: 11 15.223 1.987 0.668 0.804 0.900 0.900 CB 1.237 11 residues pruned to eliminate duplicates Z: 13 16.966 1.641 0.746 0.856 1.000 0.500 CB 1.261 12 residues pruned to eliminate duplicates Z: 6 6.222 1.444 0.213 0.860 1.000 0.600 O 1.168 8 residues pruned to eliminate duplicates Z: 6 9.545 1.902 0.576 0.704 1.000 0.400 CB 1.183 6 residues pruned to eliminate duplicates Z: 29 59.479 2.354 1.086 0.913 0.964 0.500 CB 1.681 29 residues pruned to eliminate duplicates Z: 11 11.449 1.679 0.913 0.540 0.900 0.600 CB 1.204 Z: 15 34.316 2.090 1.118 0.916 1.000 1.000 CA 1.463 15 residues pruned to eliminate duplicates Z: 47 72.851 2.284 1.064 0.804 0.978 0.696 CA 1.787 47 residues pruned to eliminate duplicates Z: 12 15.176 1.654 0.742 0.821 1.000 0.545 CB 1.202 17 residues pruned to eliminate duplicates Z: 8 8.328 1.471 0.486 0.880 1.000 0.857 CA 1.043 6 residues pruned to eliminate duplicates Z: 41 41.834 2.023 0.771 0.692 0.950 0.750 CA 1.631 41 residues pruned to eliminate duplicates Z: 51 64.827 2.279 0.936 0.728 0.980 0.640 CB 1.727 51 residues pruned to eliminate duplicates Z: 13 13.706 1.723 0.267 0.884 0.917 0.833 CB 1.428 13 residues pruned to eliminate duplicates Z: 7 4.914 1.780 0.203 0.552 0.667 0.667 CA 1.336 7 residues pruned to eliminate duplicates Z: 6 4.083 1.575 0.431 0.298 0.800 0.600 CA 1.270 6 residues pruned to eliminate duplicates 6 1.244 1.347 0.332 0.433 0.600 0.600 CB 0.553 ? Z: 6 3.052 1.735 0.091 0.579 0.800 0.800 CB 0.836 Z: 47 51.175 2.121 0.810 0.804 0.978 0.826 CA 1.541 47 residues pruned to eliminate duplicates Z: 59 51.405 1.987 1.002 0.729 0.931 0.569 CB 1.483 59 residues pruned to eliminate duplicates Z: 22 16.487 1.762 0.719 0.631 0.952 0.667 CB 1.103 26 residues pruned to eliminate duplicates Z: 14 9.382 1.587 0.507 0.645 0.923 0.846 CB 1.029 10 residues pruned to eliminate duplicates Z: 7 8.218 1.666 0.835 0.672 0.833 0.333 CA 1.124 7 residues pruned to eliminate duplicates Z: 59 43.335 2.053 0.625 0.625 0.948 0.759 CB 1.600 59 residues pruned to eliminate duplicates Z: 70 43.228 2.094 0.669 0.588 0.928 0.638 CB 1.475 70 residues pruned to eliminate duplicates Z: 27 25.949 2.179 0.575 0.500 0.962 0.692 CB 1.541 27 residues pruned to eliminate duplicates Z: 63 47.138 2.098 0.601 0.679 0.968 0.790 CB 1.563 63 residues pruned to eliminate duplicates Z: 55 43.005 2.098 0.712 0.676 0.907 0.667 CB 1.526 55 residues pruned to eliminate duplicates Z: 20 30.888 1.884 0.732 0.921 0.947 0.789 CB 1.613 20 residues pruned to eliminate duplicates Z: 19 27.114 2.177 0.828 0.637 0.944 0.778 CB 1.497 19 residues pruned to eliminate duplicates Z: 8 14.242 1.760 0.727 0.909 1.000 0.429 CB 1.257 8 residues pruned to eliminate duplicates Z: 15 40.027 2.201 1.544 0.943 0.929 0.571 CB 1.425 15 residues pruned to eliminate duplicates Z: 12 28.778 2.197 0.935 0.722 1.000 0.818 CA 1.671 12 residues pruned to eliminate duplicates Z: 22 34.808 2.042 0.840 0.914 0.952 0.524 CB 1.501 22 residues pruned to eliminate duplicates Z: 27 16.461 1.964 0.503 0.448 0.846 0.500 CB 1.364 27 residues pruned to eliminate duplicates Z: 11 9.346 1.835 0.155 0.662 0.800 0.700 CB 1.501 11 residues pruned to eliminate duplicates Z: 21 14.790 1.981 0.499 0.346 0.900 0.650 CB 1.463 21 residues pruned to eliminate duplicates Z: 24 19.021 2.162 0.596 0.441 0.826 0.609 CB 1.478 24 residues pruned to eliminate duplicates Z: 32 15.620 1.737 0.578 0.313 0.903 0.548 CB 1.394 32 residues pruned to eliminate duplicates Z: 41 36.815 2.093 0.700 0.684 0.900 0.625 CB 1.535 41 residues pruned to eliminate duplicates Z: 13 11.338 2.024 0.308 0.621 0.833 0.667 CA 1.324 13 residues pruned to eliminate duplicates Z: 13 24.517 1.941 0.903 0.852 1.000 0.667 CB 1.417 13 residues pruned to eliminate duplicates Z: 11 26.269 2.013 0.943 0.907 1.000 0.600 CB 1.509 11 residues pruned to eliminate duplicates Z: 37 37.518 2.191 0.689 0.566 0.972 0.611 CA 1.631 37 residues pruned to eliminate duplicates Z: 8 3.221 1.601 0.187 0.323 0.571 0.429 C 1.362 5 residues pruned to eliminate duplicates Z: 16 23.184 2.028 0.766 0.899 0.933 0.467 CB 1.280 16 residues pruned to eliminate duplicates Z: 59 44.246 2.270 0.703 0.567 0.897 0.552 CB 1.570 59 residues pruned to eliminate duplicates Z: 15 7.014 1.817 0.436 0.223 0.857 0.500 CB 1.160 15 residues pruned to eliminate duplicates Z: 6 4.183 1.979 0.443 0.100 0.800 0.200 CB 1.365 6 residues pruned to eliminate duplicates Z: 11 15.643 1.742 0.719 0.904 0.900 0.700 CB 1.308 11 residues pruned to eliminate duplicates Z: 50 48.615 2.058 0.710 0.701 1.000 0.816 CB 1.643 50 residues pruned to eliminate duplicates Z: 20 33.118 1.922 0.798 0.926 1.000 0.632 CB 1.542 20 residues pruned to eliminate duplicates Z: 27 43.452 2.119 0.835 0.936 0.962 0.692 CA 1.587 27 residues pruned to eliminate duplicates Z: 6 4.022 1.458 0.718 0.456 0.800 0.400 CB 0.939 Z: 18 24.315 1.782 0.879 0.898 1.000 0.412 CB 1.260 18 residues pruned to eliminate duplicates Z: 8 9.467 1.706 0.734 0.711 0.857 0.857 CB 1.165 8 residues pruned to eliminate duplicates Z: 10 5.128 1.792 0.186 0.569 0.889 0.667 CB 0.846 Z: 6 3.149 1.250 0.427 0.484 1.000 0.400 CA 0.802 Z: 9 3.083 1.596 0.197 0.268 0.750 0.500 CB 0.990 Z: 40 31.299 2.085 0.712 0.672 0.923 0.667 CB 1.298 40 residues pruned to eliminate duplicates Z: 21 29.379 1.884 0.644 0.903 1.000 0.650 CA 1.511 21 residues pruned to eliminate duplicates Z: 17 21.961 1.923 0.771 0.772 0.938 0.750 CB 1.352 17 residues pruned to eliminate duplicates Z: 34 46.981 2.226 0.808 0.661 1.000 0.788 CB 1.750 34 residues pruned to eliminate duplicates Z: 6 2.882 1.446 0.375 0.436 0.800 0.600 N 0.866 Z: 17 11.397 1.789 0.306 0.388 1.000 0.688 CB 1.373 17 residues pruned to eliminate duplicates Z: 23 33.646 2.053 0.802 0.846 0.909 0.545 CA 1.585 23 residues pruned to eliminate duplicates Z: 117 81.205 2.193 0.890 0.681 0.940 0.603 CB 1.640 121 residues pruned to eliminate duplicates Z: 47 33.584 2.063 0.464 0.594 0.935 0.696 CB 1.602 47 residues pruned to eliminate duplicates Z: 106 44.261 2.094 0.666 0.460 0.867 0.533 CB 1.487 199 residues pruned to eliminate duplicates Z: 20 22.220 1.758 0.628 0.931 1.000 0.737 CB 1.244 Z: 15 15.432 1.601 0.580 0.836 0.929 0.857 CB 1.314 15 residues pruned to eliminate duplicates Z: 9 6.098 1.765 0.279 0.402 0.875 0.500 CB 1.209 9 residues pruned to eliminate duplicates Z: 20 34.040 1.910 0.867 0.907 1.000 0.474 CB 1.557 20 residues pruned to eliminate duplicates Z: 36 35.191 2.033 0.516 0.688 0.971 0.829 CA 1.672 36 residues pruned to eliminate duplicates Z: 18 30.268 1.988 0.753 0.907 0.941 0.706 CB 1.591 18 residues pruned to eliminate duplicates Z: 20 25.296 1.776 0.665 0.934 1.000 0.895 CB 1.369 20 residues pruned to eliminate duplicates Z: 10 3.738 1.719 0.213 0.313 0.778 0.667 CB 0.945 Z: 12 10.703 1.633 0.588 0.855 0.818 0.545 CB 1.122 12 residues pruned to eliminate duplicates Z: 29 29.522 2.113 0.802 0.680 0.964 0.679 CB 1.288 29 residues pruned to eliminate duplicates Z: 38 53.275 2.179 0.954 0.735 0.946 0.568 CA 1.760 38 residues pruned to eliminate duplicates Z: 6 2.653 1.376 0.522 0.411 1.000 0.400 CB 0.622 Z: 18 20.745 1.963 0.508 0.742 0.824 0.765 CA 1.661 18 residues pruned to eliminate duplicates Z: 119 86.040 2.200 0.894 0.696 0.949 0.585 CB 1.674 119 residues pruned to eliminate duplicates Z: 6 4.846 1.735 -0.059 0.806 1.000 1.000 CB 1.016 7 1.258 1.318 0.114 0.387 1.000 0.500 CB 0.395 ? Z: 18 22.556 1.808 0.671 0.927 1.000 0.824 CB 1.269 18 residues pruned to eliminate duplicates Z: 8 3.566 1.729 0.241 0.216 0.714 0.571 CA 1.228 8 residues pruned to eliminate duplicates Z: 49 62.210 2.295 1.040 0.774 0.917 0.333 CB 1.642 49 residues pruned to eliminate duplicates Z: 9 4.112 1.527 0.230 0.348 0.750 0.500 CB 1.217 9 residues pruned to eliminate duplicates Z: 18 21.757 2.204 0.704 0.675 0.941 0.588 CB 1.270 18 residues pruned to eliminate duplicates Z: 62 36.297 2.138 0.619 0.528 0.902 0.623 CB 1.448 62 residues pruned to eliminate duplicates Z: 6 2.042 1.396 0.506 0.329 0.600 0.600 CB 0.873 Z: 40 35.829 2.249 0.723 0.539 0.872 0.564 CB 1.634 Z: 9 5.517 1.441 0.576 0.793 1.000 0.625 CB 0.664 Z: 11 15.496 1.957 0.655 0.826 0.800 0.700 CB 1.426 Z: 15 35.840 2.082 1.141 0.916 1.000 0.714 CB 1.517 15 residues pruned to eliminate duplicates Z: 6 5.047 1.378 0.448 0.759 0.800 0.600 O 1.122 6 residues pruned to eliminate duplicates Z: 24 22.012 1.775 0.817 0.644 0.957 0.696 CB 1.301 24 residues pruned to eliminate duplicates Z: 40 32.490 2.040 0.807 0.561 0.872 0.487 CB 1.525 40 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 6.862 1.873 0.231 0.451 0.875 0.625 CB 1.265 9 residues pruned to eliminate duplicates Z: 9 10.696 1.813 0.740 0.485 1.000 0.750 CB 1.217 10 residues pruned to eliminate duplicates Z: 6 2.422 1.333 0.463 0.241 1.000 0.600 CA 0.750 Z: 6 2.541 1.470 0.708 0.273 0.600 0.400 N 0.976 6 residues pruned to eliminate duplicates Z: 8 7.673 1.801 0.501 0.531 1.000 0.286 CB 1.040 14 residues pruned to eliminate duplicates Z: 11 14.449 1.996 0.746 0.735 0.800 0.700 CB 1.327 11 residues pruned to eliminate duplicates Z: 11 19.239 2.065 1.004 0.744 0.900 0.600 CB 1.313 11 residues pruned to eliminate duplicates Z: 13 15.771 1.942 0.911 0.615 0.833 0.333 CB 1.320 13 residues pruned to eliminate duplicates Z: 11 18.259 2.086 0.941 0.738 0.900 0.500 CB 1.281 11 residues pruned to eliminate duplicates Z: 11 16.060 2.040 0.896 0.706 0.900 0.300 CB 1.210 11 residues pruned to eliminate duplicates Z: 15 10.142 1.806 0.826 0.499 0.786 0.429 CB 1.047 15 residues pruned to eliminate duplicates Z: 12 15.277 2.012 0.768 0.629 0.909 0.455 CB 1.262 12 residues pruned to eliminate duplicates Z: 11 21.892 2.094 0.916 0.785 1.000 0.600 CB 1.343 11 residues pruned to eliminate duplicates Z: 28 25.025 2.161 0.600 0.471 0.963 0.444 CB 1.489 18 residues pruned to eliminate duplicates Z: 6 6.531 1.851 0.465 0.380 1.000 0.800 CA 1.224 9 residues pruned to eliminate duplicates Z: 6 7.935 1.723 0.827 0.469 1.000 0.200 CB 1.163 7 residues pruned to eliminate duplicates Z: 6 5.520 1.825 0.325 0.372 1.000 0.600 CA 1.171 6 residues pruned to eliminate duplicates Z: 93 48.630 2.141 0.585 0.553 0.924 0.630 CB 1.536 89 residues pruned to eliminate duplicates Z: 7 2.327 1.313 0.570 0.131 0.833 0.167 CA 0.876 7 residues pruned to eliminate duplicates Z: 26 17.289 2.095 0.400 0.392 0.880 0.640 CB 1.502 26 residues pruned to eliminate duplicates Z: 28 26.582 2.179 0.666 0.457 0.963 0.444 CB 1.530 27 residues pruned to eliminate duplicates Z: 8 8.211 1.745 0.546 0.440 0.857 0.429 CB 1.428 8 residues pruned to eliminate duplicates Z: 28 24.183 2.190 0.614 0.463 0.889 0.593 CB 1.537 29 residues pruned to eliminate duplicates Z: 6 11.263 1.728 0.803 0.764 1.000 0.400 N 1.279 6 residues pruned to eliminate duplicates Z: 28 23.349 2.156 0.570 0.475 0.889 0.519 CB 1.532 28 residues pruned to eliminate duplicates Z: 28 22.468 2.138 0.646 0.457 0.889 0.630 CB 1.444 28 residues pruned to eliminate duplicates Z: 39 26.534 2.188 0.642 0.427 0.868 0.553 CB 1.489 39 residues pruned to eliminate duplicates Z: 44 23.006 2.064 0.608 0.354 0.907 0.465 CB 1.364 44 residues pruned to eliminate duplicates Z: 40 25.589 2.169 0.561 0.391 0.872 0.513 CB 1.558 40 residues pruned to eliminate duplicates Z: 43 24.407 2.058 0.528 0.421 0.905 0.571 CB 1.438 43 residues pruned to eliminate duplicates Z: 92 49.466 2.138 0.617 0.563 0.934 0.637 CB 1.510 92 residues pruned to eliminate duplicates Z: 24 21.611 2.087 0.719 0.460 0.870 0.435 CB 1.505 24 residues pruned to eliminate duplicates Z: 38 24.052 2.141 0.607 0.401 0.892 0.486 CB 1.430 37 residues pruned to eliminate duplicates Z: 11 19.088 2.127 0.470 0.820 1.000 0.800 CA 1.463 11 residues pruned to eliminate duplicates Z: 40 22.440 2.155 0.496 0.392 0.872 0.564 CB 1.433 40 residues pruned to eliminate duplicates Z: 93 46.160 2.130 0.589 0.539 0.891 0.609 CB 1.536 93 residues pruned to eliminate duplicates Z: 85 51.141 2.157 0.613 0.588 0.952 0.655 CB 1.549 85 residues pruned to eliminate duplicates Z: 12 18.908 1.973 0.574 0.825 1.000 0.636 CB 1.385 12 residues pruned to eliminate duplicates Z: 42 24.270 2.131 0.512 0.419 0.878 0.537 CB 1.458 42 residues pruned to eliminate duplicates Z: 39 23.520 2.146 0.524 0.407 0.868 0.474 CB 1.482 39 residues pruned to eliminate duplicates Z: 72 44.536 2.191 0.516 0.635 0.887 0.606 CB 1.580 72 residues pruned to eliminate duplicates Z: 38 24.861 2.179 0.574 0.398 0.892 0.514 CB 1.488 38 residues pruned to eliminate duplicates Z: 37 23.332 2.182 0.501 0.414 0.889 0.583 CB 1.462 38 residues pruned to eliminate duplicates Z: 7 4.453 1.591 0.358 0.317 1.000 0.667 CA 1.030 Z: 6 4.442 1.531 0.510 0.381 1.000 0.600 CA 0.975 Z: 7 3.966 1.649 0.337 0.220 0.833 0.333 N 1.223 13 residues pruned to eliminate duplicates Z: 94 50.237 2.104 0.641 0.551 0.946 0.656 CB 1.517 94 residues pruned to eliminate duplicates Z: 51 38.963 2.297 0.568 0.572 0.840 0.540 CB 1.700 51 residues pruned to eliminate duplicates Z: 69 45.915 2.121 0.661 0.596 0.912 0.618 CB 1.581 69 residues pruned to eliminate duplicates Z: 16 23.251 2.180 0.514 0.774 0.933 0.867 CA 1.530 16 residues pruned to eliminate duplicates Z: 24 26.856 2.328 0.658 0.539 0.826 0.696 CB 1.690 24 residues pruned to eliminate duplicates Z: 54 40.952 2.101 0.510 0.678 0.943 0.736 CB 1.596 55 residues pruned to eliminate duplicates Z: 14 38.754 2.315 0.808 0.924 1.000 1.000 CA 1.804 14 residues pruned to eliminate duplicates Z: 60 37.824 2.173 0.454 0.538 0.949 0.627 CB 1.583 60 residues pruned to eliminate duplicates Z: 94 43.499 2.120 0.537 0.519 0.903 0.581 CB 1.504 91 residues pruned to eliminate duplicates Z: 15 38.119 2.228 0.922 0.900 0.929 0.714 CA 1.829 15 residues pruned to eliminate duplicates Z: 92 46.273 2.137 0.565 0.555 0.901 0.571 CB 1.526 92 residues pruned to eliminate duplicates Z: 56 41.230 2.093 0.611 0.669 0.909 0.727 CB 1.551 55 residues pruned to eliminate duplicates Z: 13 46.377 2.372 1.003 0.948 1.000 1.000 N 1.946 13 residues pruned to eliminate duplicates Z: 28 35.627 2.286 0.735 0.653 0.852 0.667 CB 1.760 28 residues pruned to eliminate duplicates Z: 57 39.160 2.070 0.649 0.655 0.893 0.661 CB 1.486 56 residues pruned to eliminate duplicates Z: 14 51.651 2.375 1.188 0.936 1.000 0.923 CA 1.920 14 residues pruned to eliminate duplicates Z: 53 46.147 2.231 0.646 0.627 0.942 0.731 CB 1.641 53 residues pruned to eliminate duplicates Z: 21 29.178 2.279 0.783 0.607 0.900 0.650 CA 1.612 21 residues pruned to eliminate duplicates Z: 57 46.350 2.094 0.688 0.681 0.964 0.750 CB 1.539 58 residues pruned to eliminate duplicates Z: 6 5.232 1.455 1.064 0.376 1.000 0.600 CA 0.890 6 residues pruned to eliminate duplicates Z: 33 38.162 2.309 1.013 0.605 0.812 0.562 CB 1.617 33 residues pruned to eliminate duplicates Z: 57 46.630 2.119 0.791 0.640 0.946 0.518 CB 1.521 57 residues pruned to eliminate duplicates Z: 91 52.411 2.152 0.690 0.563 0.911 0.667 CB 1.569 91 residues pruned to eliminate duplicates Z: 56 45.264 2.098 0.683 0.652 0.945 0.582 CB 1.587 56 residues pruned to eliminate duplicates Z: 63 45.988 2.166 0.708 0.610 0.903 0.645 CB 1.574 64 residues pruned to eliminate duplicates Z: 9 16.577 1.885 0.772 0.812 0.875 0.625 CB 1.528 9 residues pruned to eliminate duplicates Z: 60 46.293 2.168 0.609 0.647 0.932 0.712 CB 1.615 60 residues pruned to eliminate duplicates Z: 65 47.778 2.150 0.697 0.619 0.938 0.688 CB 1.559 65 residues pruned to eliminate duplicates Z: 92 51.375 2.143 0.672 0.555 0.923 0.659 CB 1.543 92 residues pruned to eliminate duplicates Z: 59 44.608 2.148 0.631 0.648 0.931 0.655 CB 1.564 66 residues pruned to eliminate duplicates Z: 85 46.140 2.196 0.588 0.508 0.905 0.560 CB 1.583 85 residues pruned to eliminate duplicates Z: 63 45.896 2.164 0.681 0.613 0.903 0.677 CB 1.594 63 residues pruned to eliminate duplicates Z: 91 52.257 2.174 0.607 0.572 0.922 0.567 CB 1.594 91 residues pruned to eliminate duplicates Z: 86 45.373 2.163 0.627 0.474 0.918 0.529 CB 1.564 86 residues pruned to eliminate duplicates Z: 93 52.530 2.145 0.690 0.568 0.913 0.620 CB 1.550 93 residues pruned to eliminate duplicates Z: 93 50.799 2.145 0.681 0.560 0.902 0.609 CB 1.535 93 residues pruned to eliminate duplicates Z: 93 51.694 2.142 0.671 0.549 0.935 0.565 CB 1.535 93 residues pruned to eliminate duplicates Z: 35 34.345 1.967 0.768 0.719 0.971 0.647 CB 1.432 34 residues pruned to eliminate duplicates Z: 21 25.123 1.731 0.800 0.907 1.000 0.650 CB 1.281 20 residues pruned to eliminate duplicates Z: 20 23.318 1.756 0.801 0.907 1.000 0.579 CB 1.202 20 residues pruned to eliminate duplicates Z: 92 50.087 2.146 0.719 0.551 0.901 0.516 CB 1.503 92 residues pruned to eliminate duplicates Z: 20 27.981 1.793 0.936 0.917 1.000 0.632 CB 1.305 21 residues pruned to eliminate duplicates Z: 19 25.318 1.821 0.886 0.944 1.000 0.667 CB 1.203 19 residues pruned to eliminate duplicates Z: 60 43.589 2.192 0.669 0.544 0.949 0.627 CB 1.566 60 residues pruned to eliminate duplicates Z: 61 48.591 2.158 0.800 0.646 0.917 0.550 CB 1.538 61 residues pruned to eliminate duplicates Z: 51 49.585 2.088 0.859 0.719 0.960 0.580 CB 1.543 51 residues pruned to eliminate duplicates Z: 55 46.990 2.143 0.843 0.663 0.926 0.630 CB 1.503 56 residues pruned to eliminate duplicates Z: 20 29.574 1.780 0.957 0.935 1.000 0.789 CB 1.356 19 residues pruned to eliminate duplicates Z: 19 26.695 1.808 0.996 0.939 1.000 0.722 CB 1.211 19 residues pruned to eliminate duplicates Z: 92 51.460 2.154 0.703 0.551 0.923 0.560 CB 1.516 92 residues pruned to eliminate duplicates Z: 38 25.395 1.884 0.679 0.552 0.892 0.514 CB 1.407 38 residues pruned to eliminate duplicates Z: 92 54.717 2.161 0.728 0.566 0.945 0.571 CB 1.524 92 residues pruned to eliminate duplicates Z: 12 10.292 1.554 0.525 0.764 0.818 0.455 CB 1.266 12 residues pruned to eliminate duplicates Z: 10 9.491 1.693 0.565 0.739 0.778 0.333 CB 1.239 10 residues pruned to eliminate duplicates Z: 11 9.753 1.645 0.550 0.684 0.900 0.500 CB 1.135 11 residues pruned to eliminate duplicates Z: 10 12.416 1.686 0.597 0.844 0.889 0.444 N 1.287 10 residues pruned to eliminate duplicates Z: 14 10.756 1.465 0.691 0.656 0.923 0.462 CB 1.129 14 residues pruned to eliminate duplicates Z: 11 11.043 1.589 0.835 0.798 0.800 0.600 CB 1.152 11 residues pruned to eliminate duplicates Z: 10 8.799 1.699 0.418 0.793 0.778 0.444 CB 1.210 10 residues pruned to eliminate duplicates Z: 40 31.129 2.141 0.684 0.659 0.897 0.667 CB 1.329 40 residues pruned to eliminate duplicates Z: 38 34.127 2.160 0.693 0.701 0.919 0.649 CB 1.390 38 residues pruned to eliminate duplicates Z: 19 26.362 2.128 0.751 0.819 1.000 0.833 CB 1.264 19 residues pruned to eliminate duplicates Z: 38 38.421 2.180 0.773 0.693 0.946 0.676 CB 1.447 38 residues pruned to eliminate duplicates Z: 38 36.792 2.197 0.692 0.684 0.946 0.784 CB 1.453 38 residues pruned to eliminate duplicates Z: 17 25.466 2.172 0.616 0.916 1.000 0.875 CB 1.282 17 residues pruned to eliminate duplicates Z: 38 39.401 2.187 0.800 0.689 0.973 0.703 CB 1.422 38 residues pruned to eliminate duplicates Z: 16 29.019 2.219 1.014 0.919 1.000 0.800 CB 1.182 16 residues pruned to eliminate duplicates Z: 30 29.782 2.112 0.801 0.704 0.966 0.586 CB 1.251 30 residues pruned to eliminate duplicates Z: 38 39.369 2.162 0.853 0.709 0.946 0.568 CB 1.412 38 residues pruned to eliminate duplicates Z: 38 37.973 2.186 0.831 0.696 0.919 0.703 CB 1.420 38 residues pruned to eliminate duplicates Z: 40 33.294 2.102 0.774 0.650 0.923 0.513 CB 1.347 40 residues pruned to eliminate duplicates Z: 38 39.778 2.182 0.818 0.691 0.973 0.595 CB 1.423 38 residues pruned to eliminate duplicates Z: 28 31.496 2.155 0.862 0.713 0.963 0.630 CB 1.293 28 residues pruned to eliminate duplicates Z: 28 31.209 2.132 0.871 0.708 0.963 0.481 CB 1.295 28 residues pruned to eliminate duplicates Z: 35 25.949 2.015 0.882 0.574 0.912 0.441 CB 1.198 35 residues pruned to eliminate duplicates Z: 102 83.122 2.256 0.987 0.709 0.931 0.574 CB 1.639 102 residues pruned to eliminate duplicates Z: 33 27.477 2.084 0.901 0.594 0.875 0.438 CB 1.281 33 residues pruned to eliminate duplicates Z: 28 36.042 2.179 0.983 0.727 1.000 0.667 CB 1.308 28 residues pruned to eliminate duplicates Z: 101 85.778 2.257 0.964 0.737 0.970 0.570 CB 1.612 101 residues pruned to eliminate duplicates Z: 38 41.250 2.165 0.903 0.721 0.973 0.541 CB 1.385 38 residues pruned to eliminate duplicates Z: 40 31.384 2.113 0.797 0.681 0.923 0.513 CB 1.214 40 residues pruned to eliminate duplicates Z: 39 34.677 2.107 0.679 0.689 0.974 0.553 CB 1.373 39 residues pruned to eliminate duplicates Z: 38 42.132 2.167 0.913 0.718 0.973 0.568 CB 1.410 38 residues pruned to eliminate duplicates Z: 35 35.541 2.159 0.785 0.694 0.941 0.500 CB 1.407 35 residues pruned to eliminate duplicates Z: 35 30.398 2.070 0.801 0.648 0.912 0.294 CB 1.336 35 residues pruned to eliminate duplicates Z: 39 37.824 2.161 0.845 0.688 0.921 0.632 CB 1.406 39 residues pruned to eliminate duplicates Z: 43 37.972 2.096 0.890 0.637 0.905 0.571 CB 1.438 43 residues pruned to eliminate duplicates Z: 40 35.978 2.125 0.740 0.669 0.949 0.667 CB 1.404 40 residues pruned to eliminate duplicates Z: 40 31.873 2.124 0.773 0.683 0.872 0.487 CB 1.315 40 residues pruned to eliminate duplicates Z: 43 37.253 2.088 0.850 0.645 0.905 0.524 CB 1.436 43 residues pruned to eliminate duplicates Z: 39 36.836 2.148 0.822 0.678 0.974 0.579 CB 1.332 39 residues pruned to eliminate duplicates Z: 38 41.017 2.148 0.888 0.710 0.973 0.568 CB 1.412 38 residues pruned to eliminate duplicates Z: 38 38.713 2.187 0.817 0.702 0.946 0.568 CB 1.408 38 residues pruned to eliminate duplicates Z: 61 84.275 2.356 1.054 0.761 0.967 0.717 CA 1.845 61 residues pruned to eliminate duplicates Z: 64 76.855 2.329 0.889 0.748 0.968 0.635 CA 1.822 64 residues pruned to eliminate duplicates Z: 60 84.521 2.360 1.113 0.771 0.949 0.593 CA 1.830 60 residues pruned to eliminate duplicates Z: 60 81.741 2.358 1.039 0.776 0.949 0.644 CB 1.828 60 residues pruned to eliminate duplicates Z: 83 73.279 2.295 0.900 0.726 0.963 0.634 CB 1.571 83 residues pruned to eliminate duplicates Z: 63 82.507 2.328 0.980 0.781 0.984 0.694 CB 1.804 63 residues pruned to eliminate duplicates Z: 65 75.273 2.292 1.049 0.750 0.938 0.625 CB 1.710 65 residues pruned to eliminate duplicates Z: 49 66.250 2.337 0.938 0.794 0.958 0.771 CB 1.702 49 residues pruned to eliminate duplicates Z: 110 76.918 2.194 0.825 0.666 0.945 0.651 CB 1.671 110 residues pruned to eliminate duplicates Z: 51 73.790 2.346 1.036 0.795 0.940 0.720 CB 1.795 51 residues pruned to eliminate duplicates Z: 80 78.183 2.258 0.956 0.740 0.937 0.671 CB 1.715 80 residues pruned to eliminate duplicates Z: 62 78.918 2.340 0.992 0.755 0.951 0.656 CB 1.817 62 residues pruned to eliminate duplicates Z: 109 82.482 2.262 0.897 0.713 0.935 0.657 CB 1.631 109 residues pruned to eliminate duplicates Z: 63 83.190 2.312 1.033 0.769 1.000 0.581 CB 1.771 63 residues pruned to eliminate duplicates Z: 62 81.564 2.348 1.044 0.765 0.951 0.672 CB 1.810 62 residues pruned to eliminate duplicates Z: 60 87.852 2.384 1.092 0.789 0.966 0.627 CB 1.842 60 residues pruned to eliminate duplicates Z: 120 83.672 2.207 0.838 0.699 0.924 0.655 CB 1.706 118 residues pruned to eliminate duplicates Z: 30 61.048 2.381 1.061 0.847 0.966 0.759 CB 1.776 30 residues pruned to eliminate duplicates Z: 46 72.933 2.372 1.081 0.804 1.000 0.756 CB 1.689 46 residues pruned to eliminate duplicates Z: 38 77.205 2.469 1.111 0.849 0.973 0.703 CB 1.855 38 residues pruned to eliminate duplicates Z: 37 79.662 2.470 1.172 0.852 1.000 0.639 CB 1.831 37 residues pruned to eliminate duplicates Z: 62 79.405 2.334 1.002 0.780 0.984 0.607 CB 1.728 62 residues pruned to eliminate duplicates Z: 62 83.735 2.358 1.083 0.759 0.951 0.639 CB 1.824 62 residues pruned to eliminate duplicates Z: 63 78.723 2.336 0.947 0.759 0.952 0.629 CB 1.834 63 residues pruned to eliminate duplicates Z: 66 71.294 2.305 0.918 0.725 0.923 0.554 CB 1.769 66 residues pruned to eliminate duplicates Z: 64 78.247 2.323 0.988 0.744 0.937 0.635 CB 1.832 64 residues pruned to eliminate duplicates Z: 63 82.474 2.312 1.066 0.782 0.952 0.516 CB 1.797 63 residues pruned to eliminate duplicates Z: 73 76.306 2.300 0.929 0.729 0.931 0.597 CB 1.772 73 residues pruned to eliminate duplicates Z: 47 65.377 2.389 1.055 0.745 0.891 0.500 CB 1.770 47 residues pruned to eliminate duplicates Z: 117 90.922 2.227 0.883 0.711 0.974 0.647 CB 1.706 117 residues pruned to eliminate duplicates Z: 29 57.612 2.367 1.018 0.904 0.964 0.429 CB 1.684 29 residues pruned to eliminate duplicates Z: 44 62.510 2.333 0.959 0.759 0.953 0.442 CB 1.737 44 residues pruned to eliminate duplicates Z: 64 75.043 2.315 0.938 0.746 0.937 0.571 CB 1.806 64 residues pruned to eliminate duplicates Z: 44 59.419 2.293 0.910 0.794 0.953 0.442 CB 1.678 44 residues pruned to eliminate duplicates Z: 45 75.637 2.425 1.118 0.793 0.977 0.568 CB 1.756 45 residues pruned to eliminate duplicates Z: 87 73.830 2.208 0.913 0.700 0.930 0.523 CB 1.688 87 residues pruned to eliminate duplicates Z: 63 78.602 2.303 1.086 0.745 0.952 0.548 CB 1.755 63 residues pruned to eliminate duplicates Z: 62 84.180 2.353 1.047 0.779 1.000 0.574 CB 1.748 62 residues pruned to eliminate duplicates Z: 61 85.889 2.375 1.077 0.784 0.950 0.617 CB 1.843 61 residues pruned to eliminate duplicates Z: 23 32.909 2.139 0.785 0.687 0.909 0.545 CA 1.704 23 residues pruned to eliminate duplicates Z: 61 80.567 2.340 1.007 0.800 0.950 0.500 CB 1.793 61 residues pruned to eliminate duplicates Z: 63 82.281 2.319 1.053 0.786 0.952 0.597 CB 1.795 63 residues pruned to eliminate duplicates Z: 61 88.812 2.341 1.156 0.794 0.967 0.567 CB 1.816 61 residues pruned to eliminate duplicates Z: 65 74.868 2.288 0.959 0.781 0.938 0.547 CB 1.738 65 residues pruned to eliminate duplicates Z: 66 73.021 2.274 1.006 0.728 0.938 0.415 CB 1.722 66 residues pruned to eliminate duplicates Z: 62 79.099 2.328 1.099 0.772 0.934 0.475 CB 1.744 62 residues pruned to eliminate duplicates Z: 70 76.769 2.250 1.100 0.716 0.942 0.449 CB 1.708 70 residues pruned to eliminate duplicates Z: 62 80.541 2.347 1.066 0.763 0.951 0.492 CB 1.771 62 residues pruned to eliminate duplicates Z: 61 83.243 2.352 1.137 0.771 0.950 0.483 CB 1.771 61 residues pruned to eliminate duplicates Z: 68 72.925 2.269 1.033 0.713 0.925 0.418 CB 1.720 68 residues pruned to eliminate duplicates Z: 63 83.142 2.320 1.045 0.785 0.968 0.532 CB 1.790 63 residues pruned to eliminate duplicates Z: 62 81.896 2.346 1.064 0.771 0.967 0.443 CB 1.761 62 residues pruned to eliminate duplicates Z: 45 72.684 2.355 1.119 0.802 0.909 0.523 CB 1.854 45 residues pruned to eliminate duplicates Z: 87 74.130 2.220 0.964 0.703 0.919 0.558 CB 1.659 87 residues pruned to eliminate duplicates Z: 61 76.265 2.346 1.112 0.777 0.900 0.500 CB 1.729 61 residues pruned to eliminate duplicates Z: 64 72.439 2.296 1.029 0.757 0.921 0.397 CB 1.692 64 residues pruned to eliminate duplicates Z: 99 85.669 2.292 0.978 0.741 0.959 0.551 CB 1.604 99 residues pruned to eliminate duplicates Z: 110 83.984 2.222 0.931 0.689 0.936 0.569 CB 1.686 110 residues pruned to eliminate duplicates Z: 67 75.467 2.286 1.042 0.731 0.939 0.394 CB 1.721 67 residues pruned to eliminate duplicates Z: 85 77.058 2.200 1.079 0.714 0.917 0.524 CB 1.651 85 residues pruned to eliminate duplicates Z: 120 85.773 2.216 0.908 0.697 0.916 0.588 CB 1.696 120 residues pruned to eliminate duplicates Z: 73 82.915 2.310 1.117 0.741 0.917 0.542 CB 1.757 73 residues pruned to eliminate duplicates Z: 79 67.905 2.192 1.052 0.739 0.923 0.397 CB 1.495 79 residues pruned to eliminate duplicates Z: 83 70.350 2.174 0.989 0.714 0.915 0.476 CB 1.617 83 residues pruned to eliminate duplicates Z: 82 70.449 2.194 1.003 0.724 0.914 0.506 CB 1.592 82 residues pruned to eliminate duplicates Z: 122 88.232 2.197 0.893 0.689 0.950 0.620 CB 1.707 122 residues pruned to eliminate duplicates Z: 14 25.968 1.909 0.815 0.922 1.000 0.846 CB 1.462 14 residues pruned to eliminate duplicates Z: 43 40.036 2.006 0.739 0.654 0.929 0.690 CA 1.653 43 residues pruned to eliminate duplicates Z: 57 42.804 2.067 0.669 0.628 0.911 0.750 CB 1.614 57 residues pruned to eliminate duplicates Z: 58 43.452 2.088 0.623 0.617 0.930 0.684 CB 1.636 58 residues pruned to eliminate duplicates Z: 86 56.380 2.093 0.775 0.637 0.906 0.635 CB 1.598 86 residues pruned to eliminate duplicates Z: 20 22.970 1.937 0.773 0.666 0.947 0.632 CB 1.389 20 residues pruned to eliminate duplicates Z: 121 80.079 2.191 0.814 0.671 0.958 0.567 CB 1.639 121 residues pruned to eliminate duplicates Z: 58 44.000 2.067 0.691 0.629 0.912 0.649 CB 1.618 58 residues pruned to eliminate duplicates Z: 117 80.365 2.179 0.886 0.683 0.940 0.543 CB 1.634 117 residues pruned to eliminate duplicates Z: 59 43.343 2.041 0.690 0.654 0.914 0.690 CB 1.565 59 residues pruned to eliminate duplicates Z: 47 30.176 1.994 0.543 0.594 0.870 0.717 CA 1.520 47 residues pruned to eliminate duplicates Z: 80 77.540 2.248 1.031 0.764 0.911 0.506 CB 1.658 80 residues pruned to eliminate duplicates Z: 37 32.242 2.034 0.651 0.575 0.944 0.667 CB 1.577 37 residues pruned to eliminate duplicates Z: 26 28.578 2.012 0.684 0.663 0.920 0.800 CA 1.577 26 residues pruned to eliminate duplicates Z: 46 34.842 2.061 0.618 0.591 0.911 0.756 CB 1.567 46 residues pruned to eliminate duplicates Z: 43 41.524 1.985 0.843 0.664 0.952 0.643 CA 1.580 43 residues pruned to eliminate duplicates Z: 29 30.164 1.976 0.691 0.638 0.964 0.857 CA 1.555 29 residues pruned to eliminate duplicates Z: 43 40.328 1.986 0.828 0.701 0.929 0.690 CB 1.538 43 residues pruned to eliminate duplicates Z: 46 37.611 2.059 0.603 0.594 0.956 0.711 CA 1.625 46 residues pruned to eliminate duplicates Z: 17 31.576 1.980 0.923 0.924 1.000 0.875 CA 1.456 17 residues pruned to eliminate duplicates Z: 42 36.640 2.080 0.666 0.640 0.902 0.707 CA 1.605 42 residues pruned to eliminate duplicates Z: 45 36.794 2.055 0.646 0.615 0.932 0.727 CB 1.579 45 residues pruned to eliminate duplicates Z: 36 32.038 1.932 0.744 0.638 0.886 0.714 CA 1.594 36 residues pruned to eliminate duplicates Z: 90 62.457 2.124 0.785 0.661 0.910 0.697 CA 1.653 90 residues pruned to eliminate duplicates Z: 30 30.828 1.944 0.754 0.651 0.931 0.759 CA 1.567 30 residues pruned to eliminate duplicates Z: 42 40.539 2.006 0.801 0.677 0.927 0.610 CA 1.606 42 residues pruned to eliminate duplicates Z: 58 42.000 2.074 0.647 0.611 0.912 0.719 CB 1.608 58 residues pruned to eliminate duplicates Z: 48 32.991 1.970 0.706 0.551 0.936 0.532 CB 1.455 48 residues pruned to eliminate duplicates Z: 45 37.705 2.065 0.674 0.610 0.932 0.682 CA 1.589 45 residues pruned to eliminate duplicates Z: 117 89.960 2.200 0.999 0.713 0.931 0.552 CB 1.682 117 residues pruned to eliminate duplicates Z: 42 39.128 2.124 0.753 0.625 0.902 0.659 CA 1.616 43 residues pruned to eliminate duplicates Z: 8 7.580 1.829 0.632 0.366 0.857 0.429 CB 1.292 8 residues pruned to eliminate duplicates Z: 46 35.133 2.030 0.654 0.587 0.911 0.578 CB 1.576 46 residues pruned to eliminate duplicates Z: 43 39.031 2.004 0.873 0.669 0.905 0.595 CB 1.517 43 residues pruned to eliminate duplicates Z: 47 36.278 2.045 0.683 0.583 0.935 0.565 CB 1.536 47 residues pruned to eliminate duplicates Z: 17 19.830 2.263 0.340 0.550 0.938 0.688 CB 1.662 17 residues pruned to eliminate duplicates Z: 12 19.586 2.238 0.395 0.701 1.000 0.727 CA 1.575 12 residues pruned to eliminate duplicates Z: 19 16.596 2.120 0.320 0.492 0.889 0.611 CA 1.587 19 residues pruned to eliminate duplicates Z: 43 39.535 2.061 0.766 0.621 0.952 0.548 CA 1.570 43 residues pruned to eliminate duplicates Z: 17 16.290 2.248 0.186 0.496 0.938 0.750 CA 1.636 17 residues pruned to eliminate duplicates Z: 18 18.204 2.173 0.358 0.505 0.941 0.647 CB 1.582 18 residues pruned to eliminate duplicates Z: 17 18.742 2.268 0.329 0.538 0.938 0.812 CB 1.599 17 residues pruned to eliminate duplicates Z: 27 13.128 1.955 0.513 0.408 0.769 0.500 CB 1.246 27 residues pruned to eliminate duplicates Z: 18 18.061 2.148 0.430 0.514 0.882 0.706 CB 1.593 18 residues pruned to eliminate duplicates Z: 19 14.073 2.074 0.302 0.495 0.889 0.611 CB 1.388 19 residues pruned to eliminate duplicates Z: 8 12.913 1.797 0.391 0.868 1.000 1.000 CA 1.427 8 residues pruned to eliminate duplicates Z: 8 12.818 1.812 0.401 0.866 1.000 0.857 CA 1.397 8 residues pruned to eliminate duplicates Z: 23 17.949 1.939 0.164 0.603 1.000 0.591 CB 1.536 23 residues pruned to eliminate duplicates Z: 25 18.202 1.920 0.415 0.552 0.875 0.500 CB 1.486 25 residues pruned to eliminate duplicates Z: 14 15.988 1.803 0.256 0.778 1.000 0.462 CB 1.533 14 residues pruned to eliminate duplicates Z: 22 15.591 1.886 0.239 0.556 0.952 0.381 CB 1.447 22 residues pruned to eliminate duplicates Z: 14 14.651 1.774 0.268 0.894 0.923 0.769 CA 1.404 14 residues pruned to eliminate duplicates Z: 22 16.844 1.930 0.224 0.645 0.905 0.667 CB 1.502 22 residues pruned to eliminate duplicates Z: 21 18.498 1.953 0.228 0.621 1.000 0.650 CB 1.538 21 residues pruned to eliminate duplicates Z: 14 14.478 1.754 0.329 0.868 0.923 0.462 CA 1.365 14 residues pruned to eliminate duplicates Z: 25 17.984 1.839 0.349 0.641 0.917 0.708 CB 1.415 25 residues pruned to eliminate duplicates Z: 40 22.938 1.912 0.459 0.486 0.872 0.487 CA 1.531 40 residues pruned to eliminate duplicates Z: 30 20.916 1.938 0.421 0.552 0.862 0.483 CA 1.556 30 residues pruned to eliminate duplicates Z: 7 4.337 1.828 0.750 0.492 0.500 0.333 CA 1.116 7 residues pruned to eliminate duplicates Z: 16 15.410 2.053 0.557 0.544 0.733 0.400 CB 1.625 16 residues pruned to eliminate duplicates Z: 14 9.507 1.877 0.812 0.626 0.769 0.308 CA 0.895 14 residues pruned to eliminate duplicates Z: 7 6.174 1.882 0.689 0.698 0.667 0.167 CA 0.993 7 residues pruned to eliminate duplicates Z: 167 75.908 2.081 0.766 0.640 0.916 0.657 CB 1.537 164 residues pruned to eliminate duplicates Z: 7 7.756 1.809 0.904 0.707 0.667 0.500 CA 1.142 7 residues pruned to eliminate duplicates Z: 140 73.298 2.161 0.695 0.640 0.935 0.597 CB 1.593 140 residues pruned to eliminate duplicates Z: 35 22.988 1.956 0.825 0.472 0.824 0.559 CB 1.379 35 residues pruned to eliminate duplicates Z: 28 24.237 1.989 0.871 0.560 0.852 0.593 CA 1.388 28 residues pruned to eliminate duplicates Z: 45 31.073 1.915 0.714 0.576 0.909 0.614 CA 1.459 45 residues pruned to eliminate duplicates Z: 49 22.162 1.895 0.461 0.518 0.896 0.625 CB 1.267 49 residues pruned to eliminate duplicates Z: 12 19.461 2.124 0.561 0.839 0.909 0.727 CA 1.454 12 residues pruned to eliminate duplicates Z: 16 16.247 1.976 0.719 0.603 0.867 0.600 CB 1.292 16 residues pruned to eliminate duplicates Z: 32 22.015 1.968 0.693 0.509 0.806 0.484 CA 1.459 32 residues pruned to eliminate duplicates Z: 26 20.816 1.954 0.640 0.539 0.920 0.560 CB 1.359 26 residues pruned to eliminate duplicates Z: 83 46.315 2.018 0.741 0.598 0.854 0.634 CB 1.552 82 residues pruned to eliminate duplicates Z: 13 19.306 2.060 0.653 0.837 0.917 0.750 CA 1.335 13 residues pruned to eliminate duplicates Z: 37 21.702 1.985 0.594 0.488 0.861 0.389 CB 1.343 37 residues pruned to eliminate duplicates Z: 31 22.363 2.015 0.627 0.479 0.900 0.467 CB 1.413 31 residues pruned to eliminate duplicates Z: 56 26.547 2.068 0.562 0.393 0.818 0.527 CB 1.517 56 residues pruned to eliminate duplicates Z: 32 26.363 1.988 0.841 0.517 0.871 0.581 CB 1.461 32 residues pruned to eliminate duplicates Z: 65 42.292 2.186 0.638 0.537 0.953 0.609 CB 1.494 65 residues pruned to eliminate duplicates Z: 28 21.150 1.960 0.674 0.506 0.852 0.556 CB 1.449 28 residues pruned to eliminate duplicates Z: 12 12.450 1.993 0.554 0.441 0.909 0.455 CB 1.417 12 residues pruned to eliminate duplicates Z: 15 11.676 2.021 0.599 0.424 0.929 0.357 CB 1.125 15 residues pruned to eliminate duplicates Z: 165 67.273 2.085 0.662 0.601 0.933 0.591 CB 1.476 165 residues pruned to eliminate duplicates Z: 84 46.876 2.129 0.712 0.535 0.904 0.614 CB 1.509 84 residues pruned to eliminate duplicates Z: 87 47.987 2.144 0.666 0.538 0.907 0.640 CB 1.538 87 residues pruned to eliminate duplicates Z: 43 34.403 2.219 0.721 0.432 0.952 0.452 CB 1.566 43 residues pruned to eliminate duplicates Z: 60 40.795 2.155 0.781 0.513 0.949 0.475 CB 1.439 60 residues pruned to eliminate duplicates Z: 12 9.500 2.088 0.428 0.416 1.000 0.636 CB 1.049 12 residues pruned to eliminate duplicates Z: 88 49.717 2.159 0.657 0.573 0.920 0.598 CB 1.510 88 residues pruned to eliminate duplicates Z: 66 43.767 2.172 0.703 0.550 0.938 0.554 CB 1.488 66 residues pruned to eliminate duplicates Z: 115 72.416 2.185 0.721 0.662 0.974 0.570 CB 1.594 115 residues pruned to eliminate duplicates Z: 60 43.551 2.202 0.700 0.544 0.949 0.627 CB 1.528 60 residues pruned to eliminate duplicates Z: 92 49.562 2.155 0.727 0.572 0.879 0.582 CB 1.481 92 residues pruned to eliminate duplicates Z: 104 65.583 2.192 0.757 0.616 0.942 0.602 CB 1.596 104 residues pruned to eliminate duplicates Z: 117 66.739 2.157 0.781 0.628 0.931 0.578 CB 1.535 117 residues pruned to eliminate duplicates Z: 69 46.908 2.196 0.612 0.563 0.941 0.632 CB 1.607 69 residues pruned to eliminate duplicates Z: 161 76.272 2.106 0.715 0.653 0.938 0.637 CB 1.545 161 residues pruned to eliminate duplicates Z: 118 65.393 2.148 0.767 0.621 0.932 0.701 CB 1.525 118 residues pruned to eliminate duplicates Z: 109 57.391 2.151 0.708 0.600 0.907 0.620 CB 1.506 109 residues pruned to eliminate duplicates Z: 90 53.028 2.171 0.682 0.572 0.955 0.640 CB 1.504 90 residues pruned to eliminate duplicates Z: 116 66.851 2.176 0.755 0.645 0.913 0.626 CB 1.562 116 residues pruned to eliminate duplicates Z: 150 70.868 2.115 0.674 0.644 0.926 0.624 CB 1.548 150 residues pruned to eliminate duplicates Z: 54 34.738 2.178 0.671 0.501 0.925 0.623 CB 1.416 54 residues pruned to eliminate duplicates Z: 72 47.898 2.155 0.729 0.539 0.944 0.549 CB 1.557 72 residues pruned to eliminate duplicates Z: 43 29.887 2.218 0.554 0.410 0.929 0.571 CB 1.584 43 residues pruned to eliminate duplicates Z: 113 67.196 2.189 0.742 0.648 0.929 0.625 CB 1.561 113 residues pruned to eliminate duplicates Z: 60 32.623 2.099 0.673 0.462 0.881 0.492 CB 1.426 60 residues pruned to eliminate duplicates Z: 60 43.717 2.202 0.750 0.536 0.915 0.508 CB 1.558 60 residues pruned to eliminate duplicates Z: 39 36.170 2.301 0.689 0.457 0.947 0.526 CB 1.665 39 residues pruned to eliminate duplicates Z: 111 60.007 2.161 0.696 0.606 0.918 0.664 CB 1.536 111 residues pruned to eliminate duplicates Z: 115 72.408 2.193 0.792 0.670 0.921 0.693 CB 1.602 115 residues pruned to eliminate duplicates Z: 103 50.104 2.085 0.738 0.532 0.902 0.520 CB 1.471 103 residues pruned to eliminate duplicates Z: 42 33.904 2.236 0.739 0.448 0.951 0.537 CB 1.510 42 residues pruned to eliminate duplicates Z: 113 65.110 2.164 0.716 0.651 0.946 0.714 CB 1.520 113 residues pruned to eliminate duplicates Z: 43 30.700 2.200 0.640 0.446 0.952 0.619 CB 1.458 43 residues pruned to eliminate duplicates Z: 88 56.102 2.195 0.757 0.600 0.920 0.586 CB 1.542 88 residues pruned to eliminate duplicates Z: 65 42.302 2.206 0.641 0.509 0.922 0.625 CB 1.571 65 residues pruned to eliminate duplicates Z: 12 14.868 2.133 0.522 0.487 0.818 0.455 CA 1.710 12 residues pruned to eliminate duplicates Z: 40 39.733 2.105 0.812 0.695 0.897 0.641 CB 1.555 40 residues pruned to eliminate duplicates Z: 99 65.185 2.072 0.797 0.720 0.939 0.592 CB 1.544 99 residues pruned to eliminate duplicates Z: 109 61.382 2.048 0.744 0.681 0.917 0.556 CB 1.528 109 residues pruned to eliminate duplicates Z: 114 71.407 2.193 0.758 0.648 0.947 0.637 CB 1.603 114 residues pruned to eliminate duplicates Z: 56 49.461 2.156 0.833 0.700 0.909 0.618 CB 1.546 56 residues pruned to eliminate duplicates Z: 59 45.972 2.236 0.738 0.540 0.948 0.586 CB 1.574 59 residues pruned to eliminate duplicates Z: 32 35.842 2.073 0.994 0.656 0.968 0.581 CB 1.392 32 residues pruned to eliminate duplicates Z: 123 63.244 2.137 0.750 0.621 0.934 0.623 CB 1.461 123 residues pruned to eliminate duplicates Z: 69 46.578 2.215 0.692 0.553 0.912 0.559 CB 1.569 69 residues pruned to eliminate duplicates Z: 31 40.178 2.151 0.935 0.678 0.967 0.700 CB 1.547 31 residues pruned to eliminate duplicates Z: 99 67.603 2.064 0.802 0.735 0.959 0.653 CB 1.550 99 residues pruned to eliminate duplicates Z: 59 47.903 2.237 0.821 0.529 0.948 0.517 CB 1.582 59 residues pruned to eliminate duplicates Z: 140 69.675 2.134 0.770 0.627 0.914 0.504 CB 1.519 140 residues pruned to eliminate duplicates Z: 66 44.074 2.176 0.715 0.534 0.923 0.569 CB 1.535 66 residues pruned to eliminate duplicates Z: 42 40.918 2.094 0.851 0.672 0.902 0.634 CB 1.558 42 residues pruned to eliminate duplicates Z: 74 52.787 2.206 0.770 0.555 0.932 0.616 CB 1.611 74 residues pruned to eliminate duplicates Z: 85 47.087 2.130 0.752 0.541 0.917 0.464 CB 1.443 85 residues pruned to eliminate duplicates Z: 68 52.116 2.222 0.734 0.572 0.970 0.612 CB 1.590 68 residues pruned to eliminate duplicates Z: 118 70.714 2.174 0.786 0.630 0.932 0.624 CB 1.600 118 residues pruned to eliminate duplicates Z: 33 37.116 2.052 0.925 0.654 0.969 0.594 CB 1.486 33 residues pruned to eliminate duplicates Z: 115 74.959 2.194 0.813 0.654 0.956 0.658 CB 1.599 115 residues pruned to eliminate duplicates Z: 89 59.548 2.191 0.784 0.576 0.943 0.545 CB 1.601 89 residues pruned to eliminate duplicates Z: 86 57.841 2.200 0.753 0.595 0.953 0.647 CB 1.559 86 residues pruned to eliminate duplicates Z: 57 45.751 2.122 0.749 0.653 0.893 0.643 CB 1.599 57 residues pruned to eliminate duplicates Z: 119 63.455 2.139 0.765 0.639 0.907 0.593 CB 1.499 119 residues pruned to eliminate duplicates Z: 56 46.325 2.126 0.688 0.771 0.891 0.764 CA 1.537 56 residues pruned to eliminate duplicates Z: 82 51.604 2.028 0.619 0.727 0.926 0.642 CA 1.537 82 residues pruned to eliminate duplicates Z: 122 68.942 2.163 0.766 0.655 0.909 0.612 CB 1.563 122 residues pruned to eliminate duplicates Z: 60 42.028 2.049 0.598 0.712 0.932 0.678 CA 1.480 60 residues pruned to eliminate duplicates Z: 86 61.137 2.123 0.778 0.731 0.929 0.718 CB 1.535 86 residues pruned to eliminate duplicates Z: 122 68.845 2.153 0.810 0.624 0.926 0.603 CB 1.544 122 residues pruned to eliminate duplicates Z: 56 44.696 2.094 0.756 0.706 0.927 0.564 CA 1.466 56 residues pruned to eliminate duplicates Z: 99 66.914 2.087 0.798 0.739 0.939 0.622 CB 1.548 99 residues pruned to eliminate duplicates Z: 47 51.514 2.145 0.891 0.801 0.935 0.739 CA 1.540 47 residues pruned to eliminate duplicates Z: 49 43.588 2.076 0.726 0.710 0.958 0.729 CA 1.513 49 residues pruned to eliminate duplicates Z: 47 50.975 2.176 0.905 0.790 0.913 0.739 CA 1.539 47 residues pruned to eliminate duplicates Z: 26 22.157 1.977 0.734 0.523 0.920 0.560 CA 1.373 26 residues pruned to eliminate duplicates Z: 60 51.450 2.068 0.806 0.778 0.949 0.729 CB 1.479 60 residues pruned to eliminate duplicates Z: 48 52.263 2.140 0.911 0.774 0.936 0.723 CA 1.563 48 residues pruned to eliminate duplicates Z: 72 50.193 2.010 0.716 0.730 0.915 0.620 CA 1.534 72 residues pruned to eliminate duplicates Z: 51 52.971 2.092 0.925 0.739 0.960 0.580 CA 1.563 51 residues pruned to eliminate duplicates Z: 45 36.066 2.066 0.634 0.695 0.909 0.636 CA 1.484 45 residues pruned to eliminate duplicates Z: 84 58.085 2.109 0.740 0.708 0.928 0.663 CB 1.550 84 residues pruned to eliminate duplicates Z: 53 52.316 2.067 0.983 0.720 0.923 0.558 CA 1.572 53 residues pruned to eliminate duplicates Z: 85 69.818 2.135 0.941 0.743 0.952 0.655 CB 1.552 85 residues pruned to eliminate duplicates Z: 75 50.822 2.010 0.745 0.701 0.946 0.608 CB 1.483 75 residues pruned to eliminate duplicates Z: 86 61.321 2.092 0.783 0.727 0.953 0.635 CB 1.526 86 residues pruned to eliminate duplicates Z: 113 73.155 2.186 0.853 0.651 0.946 0.536 CB 1.566 113 residues pruned to eliminate duplicates Z: 47 52.727 2.153 0.956 0.792 0.913 0.587 CA 1.564 47 residues pruned to eliminate duplicates Z: 53 50.250 2.063 0.849 0.729 0.962 0.519 CA 1.547 53 residues pruned to eliminate duplicates Z: 48 50.941 2.151 0.934 0.763 0.936 0.681 CA 1.510 48 residues pruned to eliminate duplicates Z: 52 48.725 2.070 0.852 0.730 0.941 0.686 CA 1.537 52 residues pruned to eliminate duplicates Z: 53 49.792 2.123 0.790 0.751 0.923 0.692 CA 1.574 53 residues pruned to eliminate duplicates Z: 72 57.875 2.035 0.862 0.765 0.944 0.592 CB 1.519 72 residues pruned to eliminate duplicates Z: 75 52.302 2.006 0.816 0.706 0.905 0.581 CB 1.528 75 residues pruned to eliminate duplicates Z: 32 34.893 2.065 0.772 0.790 0.935 0.710 CA 1.418 32 residues pruned to eliminate duplicates Z: 47 34.760 1.927 0.674 0.732 0.913 0.696 CA 1.413 47 residues pruned to eliminate duplicates Z: 48 50.680 2.120 0.856 0.784 0.936 0.681 CA 1.564 48 residues pruned to eliminate duplicates Z: 46 54.033 2.165 0.894 0.816 0.978 0.689 CA 1.527 46 residues pruned to eliminate duplicates Z: 33 32.305 1.988 0.757 0.754 0.906 0.688 CA 1.439 33 residues pruned to eliminate duplicates Z: 59 50.471 2.007 0.775 0.719 0.966 0.672 CB 1.580 59 residues pruned to eliminate duplicates Z: 58 49.041 2.050 0.923 0.721 0.895 0.544 CA 1.508 58 residues pruned to eliminate duplicates Z: 49 34.593 2.008 0.756 0.604 0.854 0.479 CA 1.502 49 residues pruned to eliminate duplicates Z: 24 30.810 2.053 0.625 0.833 0.957 0.565 CA 1.510 24 residues pruned to eliminate duplicates Z: 57 48.367 2.107 0.903 0.745 0.857 0.554 CB 1.510 57 residues pruned to eliminate duplicates Z: 34 35.920 2.027 0.897 0.749 0.848 0.515 CA 1.535 34 residues pruned to eliminate duplicates Z: 52 48.290 2.085 0.887 0.738 0.902 0.510 CB 1.539 52 residues pruned to eliminate duplicates Z: 48 52.559 2.153 0.962 0.775 0.936 0.532 CB 1.520 48 residues pruned to eliminate duplicates Z: 47 51.617 2.138 0.936 0.782 0.935 0.587 CA 1.534 47 residues pruned to eliminate duplicates Z: 49 51.133 2.127 1.016 0.753 0.917 0.625 CB 1.498 49 residues pruned to eliminate duplicates Z: 49 56.257 2.120 1.016 0.779 0.938 0.521 CA 1.584 49 residues pruned to eliminate duplicates Z: 47 56.757 2.141 1.014 0.802 0.935 0.413 CA 1.595 47 residues pruned to eliminate duplicates Z: 35 37.778 1.994 0.985 0.735 0.882 0.500 CA 1.502 35 residues pruned to eliminate duplicates Z: 51 56.996 2.103 1.004 0.760 0.980 0.500 CA 1.549 51 residues pruned to eliminate duplicates Z: 46 42.935 2.085 0.768 0.740 0.933 0.578 CA 1.501 46 residues pruned to eliminate duplicates Z: 50 40.204 1.916 0.829 0.719 0.898 0.510 CA 1.498 50 residues pruned to eliminate duplicates Z: 68 54.062 2.012 0.871 0.718 0.940 0.433 CB 1.532 68 residues pruned to eliminate duplicates Z: 126 71.877 2.146 0.806 0.670 0.920 0.520 CB 1.540 126 residues pruned to eliminate duplicates Z: 83 58.092 2.040 0.806 0.719 0.951 0.537 CB 1.502 83 residues pruned to eliminate duplicates Z: 104 62.545 2.045 0.814 0.721 0.913 0.563 CB 1.491 104 residues pruned to eliminate duplicates Z: 14 12.407 1.678 0.494 0.727 0.769 0.462 CA 1.454 14 residues pruned to eliminate duplicates Z: 31 16.535 1.735 0.406 0.609 0.900 0.400 CB 1.240 31 residues pruned to eliminate duplicates Z: 46 46.743 1.949 0.901 0.777 0.933 0.467 CB 1.578 46 residues pruned to eliminate duplicates Z: 15 15.769 1.696 0.547 0.731 0.929 0.429 CB 1.405 15 residues pruned to eliminate duplicates Z: 74 53.350 2.017 0.889 0.738 0.904 0.438 CB 1.464 74 residues pruned to eliminate duplicates Z: 61 58.109 2.050 0.985 0.790 0.967 0.550 CB 1.478 61 residues pruned to eliminate duplicates Z: 76 52.413 1.991 0.819 0.711 0.907 0.520 CB 1.522 76 residues pruned to eliminate duplicates Z: 14 14.541 1.697 0.526 0.778 0.846 0.538 CA 1.440 14 residues pruned to eliminate duplicates Z: 75 47.165 1.937 0.885 0.702 0.892 0.500 CB 1.400 75 residues pruned to eliminate duplicates Z: 16 18.298 1.705 0.590 0.762 1.000 0.333 CB 1.381 16 residues pruned to eliminate duplicates Z: 82 46.611 1.993 0.802 0.697 0.864 0.346 CB 1.394 82 residues pruned to eliminate duplicates Z: 76 58.329 2.007 0.873 0.731 0.973 0.533 CB 1.496 76 residues pruned to eliminate duplicates Z: 28 18.523 1.828 0.370 0.621 0.889 0.407 CB 1.428 28 residues pruned to eliminate duplicates Z: 16 7.649 1.837 0.180 0.350 0.867 0.333 CB 1.238 16 residues pruned to eliminate duplicates Z: 12 15.880 1.960 0.570 0.565 1.000 0.455 CB 1.462 12 residues pruned to eliminate duplicates Z: 12 14.878 1.976 0.416 0.562 1.000 0.545 CB 1.510 12 residues pruned to eliminate duplicates Z: 12 15.972 2.014 0.477 0.572 1.000 0.000 CB 1.510 12 residues pruned to eliminate duplicates Z: 12 10.274 1.934 0.309 0.484 0.909 0.273 CB 1.368 12 residues pruned to eliminate duplicates Z: 11 11.344 2.052 0.327 0.534 0.900 0.300 CB 1.414 11 residues pruned to eliminate duplicates Z: 12 11.678 2.039 0.304 0.491 0.909 0.545 CB 1.471 12 residues pruned to eliminate duplicates Z: 11 16.216 2.135 0.452 0.623 0.900 0.600 CA 1.636 11 residues pruned to eliminate duplicates Z: 14 9.170 1.892 0.155 0.473 0.923 0.308 CB 1.296 14 residues pruned to eliminate duplicates Z: 11 15.292 2.139 0.375 0.611 0.900 0.600 CA 1.644 11 residues pruned to eliminate duplicates Z: 27 21.498 2.159 0.547 0.426 0.885 0.423 CB 1.540 27 residues pruned to eliminate duplicates Z: 62 30.356 2.083 0.558 0.460 0.902 0.590 CB 1.383 62 residues pruned to eliminate duplicates Z: 28 20.881 2.133 0.567 0.431 0.852 0.519 CB 1.517 28 residues pruned to eliminate duplicates Z: 26 26.918 2.214 0.648 0.454 0.960 0.640 CB 1.611 26 residues pruned to eliminate duplicates Z: 7 5.383 1.871 0.347 0.303 0.833 0.333 CA 1.303 7 residues pruned to eliminate duplicates Z: 37 25.582 2.158 0.538 0.425 0.944 0.556 CB 1.471 37 residues pruned to eliminate duplicates Z: 7 13.994 2.150 0.450 0.534 1.000 0.667 CB 1.773 7 residues pruned to eliminate duplicates Z: 28 23.363 2.183 0.586 0.448 0.889 0.481 CB 1.541 28 residues pruned to eliminate duplicates Z: 56 32.298 2.143 0.651 0.464 0.855 0.673 CB 1.494 56 residues pruned to eliminate duplicates Z: 18 14.652 2.156 0.433 0.289 0.941 0.529 CB 1.549 18 residues pruned to eliminate duplicates Z: 27 24.667 2.193 0.648 0.443 0.885 0.615 CB 1.605 27 residues pruned to eliminate duplicates Z: 26 22.545 2.223 0.462 0.445 0.920 0.600 CB 1.596 26 residues pruned to eliminate duplicates Z: 55 32.536 2.181 0.619 0.457 0.889 0.574 CB 1.473 55 residues pruned to eliminate duplicates Z: 13 19.586 2.058 0.725 0.664 0.917 0.750 CA 1.492 13 residues pruned to eliminate duplicates Z: 27 19.847 2.190 0.508 0.441 0.885 0.692 CB 1.416 27 residues pruned to eliminate duplicates Z: 91 52.838 2.136 0.689 0.565 0.956 0.633 CB 1.517 91 residues pruned to eliminate duplicates Z: 11 16.395 2.067 0.708 0.763 0.800 0.800 CA 1.454 11 residues pruned to eliminate duplicates Z: 26 22.755 2.209 0.532 0.466 0.880 0.560 CB 1.582 26 residues pruned to eliminate duplicates Z: 92 52.756 2.142 0.634 0.580 0.956 0.659 CB 1.530 92 residues pruned to eliminate duplicates Z: 27 23.749 2.171 0.496 0.451 0.962 0.654 CB 1.569 27 residues pruned to eliminate duplicates Z: 41 19.030 2.071 0.403 0.412 0.875 0.625 CB 1.298 41 residues pruned to eliminate duplicates Z: 92 52.582 2.141 0.642 0.565 0.945 0.692 CB 1.558 92 residues pruned to eliminate duplicates Z: 12 14.724 1.953 0.488 0.727 0.909 0.636 CB 1.370 12 residues pruned to eliminate duplicates Z: 55 31.610 2.158 0.627 0.479 0.870 0.611 CB 1.438 55 residues pruned to eliminate duplicates Z: 37 22.941 2.142 0.453 0.436 0.917 0.500 CB 1.433 37 residues pruned to eliminate duplicates Z: 66 43.160 2.126 0.607 0.609 0.908 0.692 CB 1.556 66 residues pruned to eliminate duplicates Z: 27 24.838 2.160 0.655 0.557 0.885 0.692 CB 1.457 27 residues pruned to eliminate duplicates Z: 66 43.358 2.113 0.602 0.612 0.938 0.723 CB 1.522 66 residues pruned to eliminate duplicates Z: 88 47.444 2.163 0.587 0.528 0.931 0.644 CB 1.548 88 residues pruned to eliminate duplicates Z: 72 43.417 2.150 0.652 0.572 0.887 0.634 CB 1.525 72 residues pruned to eliminate duplicates Z: 61 49.089 2.153 0.690 0.669 0.933 0.717 CB 1.598 61 residues pruned to eliminate duplicates Z: 58 45.647 2.163 0.674 0.626 0.947 0.667 CB 1.565 58 residues pruned to eliminate duplicates Z: 62 48.075 2.133 0.629 0.655 0.967 0.754 CB 1.587 62 residues pruned to eliminate duplicates Z: 62 46.324 2.128 0.636 0.653 0.951 0.770 CB 1.554 62 residues pruned to eliminate duplicates Z: 62 49.897 2.132 0.689 0.663 0.951 0.787 CB 1.605 62 residues pruned to eliminate duplicates Z: 9 14.275 2.205 0.778 0.571 0.875 0.625 CB 1.373 8 residues pruned to eliminate duplicates Z: 17 24.246 2.064 0.816 0.776 0.875 0.750 CB 1.447 17 residues pruned to eliminate duplicates Z: 25 28.769 2.165 0.821 0.592 0.917 0.750 CB 1.488 25 residues pruned to eliminate duplicates Z: 58 47.584 2.175 0.700 0.624 0.947 0.684 CB 1.600 58 residues pruned to eliminate duplicates Z: 25 24.783 2.204 0.668 0.581 0.833 0.667 CB 1.527 32 residues pruned to eliminate duplicates Z: 49 51.167 2.139 0.798 0.674 1.000 0.688 CB 1.637 49 residues pruned to eliminate duplicates Z: 53 50.694 2.106 0.685 0.699 0.981 0.827 CA 1.684 53 residues pruned to eliminate duplicates Z: 15 35.562 2.214 1.050 0.785 0.929 0.857 CA 1.755 15 residues pruned to eliminate duplicates Z: 15 36.065 2.197 1.113 0.761 0.929 0.786 N 1.773 15 residues pruned to eliminate duplicates Z: 62 48.270 2.128 0.716 0.647 0.951 0.672 CB 1.553 62 residues pruned to eliminate duplicates Z: 51 50.797 2.133 0.704 0.710 0.980 0.720 CB 1.667 51 residues pruned to eliminate duplicates Z: 62 51.041 2.099 0.766 0.672 0.967 0.672 CB 1.554 62 residues pruned to eliminate duplicates Z: 55 47.283 2.076 0.716 0.669 0.963 0.667 CB 1.605 55 residues pruned to eliminate duplicates Z: 52 52.086 2.112 0.674 0.711 1.000 0.686 CB 1.704 52 residues pruned to eliminate duplicates Z: 51 53.166 2.141 0.680 0.736 1.000 0.780 CB 1.690 51 residues pruned to eliminate duplicates Z: 53 53.071 2.102 0.735 0.706 1.000 0.692 CB 1.673 53 residues pruned to eliminate duplicates Z: 49 51.372 2.132 0.830 0.667 0.979 0.583 CB 1.663 49 residues pruned to eliminate duplicates Z: 51 50.205 2.133 0.695 0.702 0.980 0.640 CB 1.667 51 residues pruned to eliminate duplicates Z: 53 51.898 2.097 0.737 0.687 1.000 0.500 CB 1.664 53 residues pruned to eliminate duplicates Z: 53 52.980 2.113 0.717 0.700 1.000 0.712 CB 1.688 53 residues pruned to eliminate duplicates Z: 51 55.491 2.139 0.777 0.731 1.000 0.640 CB 1.678 51 residues pruned to eliminate duplicates Z: 13 19.085 1.987 0.543 0.660 0.917 0.667 CA 1.691 13 residues pruned to eliminate duplicates Z: 52 52.114 2.111 0.700 0.717 1.000 0.667 CB 1.671 52 residues pruned to eliminate duplicates Z: 51 49.662 2.128 0.677 0.704 0.980 0.760 CB 1.668 51 residues pruned to eliminate duplicates Z: 52 55.162 2.123 0.753 0.715 1.000 0.765 CB 1.709 52 residues pruned to eliminate duplicates Z: 56 49.773 2.100 0.767 0.661 0.964 0.636 CB 1.616 56 residues pruned to eliminate duplicates Z: 48 53.859 2.165 0.832 0.677 0.979 0.638 CB 1.719 48 residues pruned to eliminate duplicates Z: 52 51.949 2.120 0.694 0.700 1.000 0.686 CB 1.688 52 residues pruned to eliminate duplicates Z: 51 54.053 2.132 0.760 0.698 1.000 0.660 CB 1.700 51 residues pruned to eliminate duplicates Z: 51 48.273 2.125 0.718 0.738 0.940 0.740 CB 1.606 51 residues pruned to eliminate duplicates Z: 48 50.051 2.165 0.744 0.674 0.979 0.596 CB 1.683 48 residues pruned to eliminate duplicates Z: 51 53.199 2.123 0.797 0.712 1.000 0.620 CB 1.627 51 residues pruned to eliminate duplicates Z: 51 53.250 2.141 0.749 0.727 0.980 0.720 CB 1.673 51 residues pruned to eliminate duplicates Z: 49 50.265 2.164 0.775 0.672 0.958 0.729 CB 1.681 49 residues pruned to eliminate duplicates Z: 51 53.369 2.151 0.698 0.742 0.980 0.780 CB 1.698 51 residues pruned to eliminate duplicates Z: 42 37.486 2.098 0.751 0.595 0.927 0.537 CB 1.570 42 residues pruned to eliminate duplicates Z: 33 38.057 2.142 0.633 0.633 1.000 0.719 CA 1.697 33 residues pruned to eliminate duplicates Z: 53 50.801 2.117 0.635 0.693 1.000 0.654 CA 1.707 53 residues pruned to eliminate duplicates Z: 50 51.219 2.123 0.767 0.721 0.959 0.633 CB 1.666 50 residues pruned to eliminate duplicates Z: 61 49.557 2.073 0.655 0.679 0.967 0.650 CB 1.637 61 residues pruned to eliminate duplicates Z: 52 52.366 2.129 0.671 0.724 0.980 0.745 CB 1.719 52 residues pruned to eliminate duplicates Z: 53 53.822 2.114 0.765 0.685 1.000 0.673 CB 1.688 53 residues pruned to eliminate duplicates Z: 50 55.994 2.148 0.855 0.730 0.980 0.510 CB 1.666 50 residues pruned to eliminate duplicates Z: 51 55.106 2.144 0.764 0.733 0.980 0.700 CB 1.705 51 residues pruned to eliminate duplicates Z: 51 55.721 2.146 0.818 0.732 0.980 0.700 CB 1.673 51 residues pruned to eliminate duplicates Z: 51 54.341 2.148 0.816 0.712 0.960 0.620 CB 1.693 51 residues pruned to eliminate duplicates Z: 58 44.984 2.042 0.727 0.629 0.930 0.614 CB 1.610 58 residues pruned to eliminate duplicates Z: 52 54.771 2.096 0.903 0.699 0.961 0.686 CB 1.669 52 residues pruned to eliminate duplicates Z: 62 49.732 2.115 0.784 0.660 0.934 0.574 CB 1.557 62 residues pruned to eliminate duplicates Z: 35 38.203 2.129 0.673 0.670 0.912 0.676 CA 1.725 35 residues pruned to eliminate duplicates Z: 51 55.182 2.120 0.881 0.712 0.980 0.620 CB 1.648 51 residues pruned to eliminate duplicates 620 residues left after pruning, divided into chains as follows: A: 10 B: 10 C: 40 D: 14 E: 7 F: 10 G: 155 H: 189 I: 94 J: 91 CC for partial structure against native data = 41.82 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.491, Connect. = 0.758 for dens.mod. cycle 1 = 0.300, Contrast = 0.552, Connect. = 0.776 for dens.mod. cycle 2 = 0.300, Contrast = 0.661, Connect. = 0.801 for dens.mod. cycle 3 = 0.300, Contrast = 0.667, Connect. = 0.801 for dens.mod. cycle 4 = 0.300, Contrast = 0.676, Connect. = 0.802 for dens.mod. cycle 5 = 0.300, Contrast = 0.680, Connect. = 0.803 for dens.mod. cycle 6 = 0.300, Contrast = 0.684, Connect. = 0.805 for dens.mod. cycle 7 = 0.300, Contrast = 0.685, Connect. = 0.805 for dens.mod. cycle 8 = 0.300, Contrast = 0.687, Connect. = 0.806 for dens.mod. cycle 9 = 0.300, Contrast = 0.688, Connect. = 0.806 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3560 peaks > 0.5 sigma used to seed fragment search Space for about 917 unique residues taking solvent into account 857 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 21.006 2.416 0.499 0.899 1.000 0.889 CB 1.382 B: 11 16.169 2.246 0.516 0.883 0.900 0.700 CB 1.207 11 residues pruned to eliminate duplicates C: 27 69.624 2.465 1.239 0.914 0.962 0.692 CB 1.821 D: 11 21.215 2.253 0.691 0.869 1.000 0.600 CB 1.287 10 residues pruned to eliminate duplicates E: 27 61.851 2.467 1.018 0.918 0.923 0.692 CA 1.862 27 residues pruned to eliminate duplicates F: 15 28.939 2.185 0.511 0.913 0.929 0.857 CA 1.785 G: 29 68.353 2.388 1.181 0.927 0.964 0.250 CB 1.802 28 residues pruned to eliminate duplicates H: 14 40.558 2.345 0.786 0.934 1.000 1.000 CA 1.873 15 residues pruned to eliminate duplicates I: 16 31.530 2.267 1.008 0.888 0.933 0.667 CB 1.380 J: 44 74.843 2.297 1.124 0.842 0.953 0.605 CA 1.828 28 residues pruned to eliminate duplicates K: 29 63.690 2.378 1.153 0.923 0.964 0.500 CB 1.713 29 residues pruned to eliminate duplicates L: 11 22.282 2.231 0.612 0.911 1.000 0.500 CB 1.389 11 residues pruned to eliminate duplicates M: 12 16.751 2.073 0.401 0.868 0.909 0.545 CB 1.398 12 residues pruned to eliminate duplicates N: 26 63.694 2.492 1.067 0.946 0.920 0.360 CB 1.858 26 residues pruned to eliminate duplicates O: 29 65.177 2.351 1.150 0.935 0.964 0.679 CA 1.760 29 residues pruned to eliminate duplicates P: 26 49.381 2.269 0.996 0.915 0.920 0.400 CB 1.675 26 residues pruned to eliminate duplicates Q: 11 19.535 1.943 0.514 0.882 1.000 0.500 CB 1.519 R: 81 45.870 2.146 0.714 0.557 0.925 0.575 CB 1.426 11 residues pruned to eliminate duplicates S: 16 27.458 2.260 0.695 0.862 1.000 0.667 CB 1.360 16 residues pruned to eliminate duplicates T: 28 62.684 2.439 1.034 0.914 0.963 0.667 CB 1.786 28 residues pruned to eliminate duplicates U: 29 58.895 2.354 1.044 0.913 0.929 0.714 CA 1.762 29 residues pruned to eliminate duplicates V: 16 37.003 2.098 1.031 0.915 1.000 1.000 CB 1.585 W: 29 59.803 2.361 1.064 0.906 0.964 0.500 CA 1.710 29 residues pruned to eliminate duplicates X: 15 29.089 2.204 0.755 0.935 1.000 0.857 CA 1.400 Y: 27 60.419 2.420 1.031 0.904 0.962 0.769 CA 1.786 27 residues pruned to eliminate duplicates Z: 13 18.350 2.032 0.422 0.810 1.000 0.667 CA 1.399 13 residues pruned to eliminate duplicates Z: 11 27.979 2.112 0.723 0.906 1.000 0.500 CB 1.729 Z: 14 39.756 2.366 0.680 0.935 1.000 0.769 CA 1.933 14 residues pruned to eliminate duplicates Z: 29 65.836 2.379 1.129 0.908 0.964 0.607 CB 1.810 29 residues pruned to eliminate duplicates Z: 29 67.568 2.386 1.132 0.928 1.000 0.714 CA 1.757 29 residues pruned to eliminate duplicates Z: 17 26.823 2.055 0.939 0.896 0.938 0.688 CA 1.286 17 residues pruned to eliminate duplicates Z: 27 63.904 2.413 1.081 0.943 0.923 0.654 CA 1.874 27 residues pruned to eliminate duplicates Z: 17 30.238 1.942 1.027 0.904 1.000 0.938 CA 1.368 Z: 15 41.266 2.241 1.051 0.932 0.929 0.857 N 1.804 15 residues pruned to eliminate duplicates Z: 13 42.217 2.357 0.954 0.936 1.000 0.750 CB 1.843 14 residues pruned to eliminate duplicates Z: 27 56.140 2.422 0.947 0.910 0.962 0.808 CA 1.722 27 residues pruned to eliminate duplicates Z: 16 35.339 2.101 1.063 0.884 1.000 0.867 CA 1.521 17 residues pruned to eliminate duplicates Z: 15 29.187 2.198 0.597 0.919 0.929 0.929 CA 1.686 15 residues pruned to eliminate duplicates Z: 15 39.708 2.159 1.129 0.943 1.000 0.857 CA 1.600 16 residues pruned to eliminate duplicates Z: 15 29.712 2.097 0.901 0.934 1.000 0.786 CB 1.389 15 residues pruned to eliminate duplicates Z: 8 14.343 2.087 0.719 0.697 0.857 0.714 CA 1.473 Z: 17 35.479 2.144 0.844 0.825 0.938 0.938 CA 1.807 16 residues pruned to eliminate duplicates Z: 27 68.520 2.435 1.269 0.927 0.923 0.692 CB 1.846 27 residues pruned to eliminate duplicates Z: 28 57.987 2.410 1.068 0.930 0.926 0.444 CB 1.691 28 residues pruned to eliminate duplicates Z: 11 19.122 2.092 0.452 0.834 1.000 0.800 CB 1.493 11 residues pruned to eliminate duplicates Z: 28 66.747 2.421 1.129 0.937 1.000 0.741 CA 1.734 28 residues pruned to eliminate duplicates Z: 13 30.395 2.242 0.639 0.908 1.000 1.000 CB 1.695 14 residues pruned to eliminate duplicates Z: 15 24.540 2.057 0.624 0.922 1.000 0.857 CB 1.381 15 residues pruned to eliminate duplicates Z: 29 52.154 2.351 0.859 0.920 0.893 0.786 CA 1.779 29 residues pruned to eliminate duplicates Z: 18 30.420 1.900 0.965 0.888 1.000 0.941 CA 1.423 18 residues pruned to eliminate duplicates Z: 13 17.286 1.951 0.640 0.814 0.833 0.750 CA 1.424 13 residues pruned to eliminate duplicates Z: 15 32.157 2.132 0.911 0.918 1.000 0.786 CA 1.488 14 residues pruned to eliminate duplicates Z: 10 21.333 2.208 0.543 0.864 0.889 0.667 CB 1.721 10 residues pruned to eliminate duplicates Z: 14 34.166 2.378 0.753 0.875 1.000 0.769 CB 1.654 14 residues pruned to eliminate duplicates Z: 29 35.195 2.044 0.609 0.861 1.000 0.857 CA 1.487 Z: 24 18.365 1.877 0.282 0.627 0.957 0.522 CB 1.477 Z: 17 25.769 2.017 0.819 0.842 0.875 0.750 CB 1.495 17 residues pruned to eliminate duplicates Z: 27 63.740 2.444 1.110 0.946 0.962 0.769 CA 1.743 27 residues pruned to eliminate duplicates Z: 10 9.355 1.730 0.258 0.793 0.889 0.556 CA 1.247 Z: 9 14.489 1.907 0.262 0.849 1.000 0.875 CB 1.577 Z: 9 20.566 2.332 0.407 0.898 0.875 0.750 CB 1.812 9 residues pruned to eliminate duplicates Z: 9 17.950 1.921 0.754 0.824 1.000 1.000 CA 1.423 10 residues pruned to eliminate duplicates Z: 14 41.361 2.340 0.894 0.931 1.000 1.000 CA 1.808 13 residues pruned to eliminate duplicates Z: 16 28.999 2.075 0.871 0.928 1.000 0.667 CA 1.351 15 residues pruned to eliminate duplicates Z: 15 28.202 2.150 0.608 0.851 1.000 0.786 CB 1.613 15 residues pruned to eliminate duplicates Z: 86 44.188 2.180 0.528 0.504 0.894 0.635 CB 1.604 25 residues pruned to eliminate duplicates Z: 17 37.784 2.141 0.944 0.830 0.938 0.562 CA 1.820 17 residues pruned to eliminate duplicates Z: 13 14.782 1.685 0.657 0.862 0.917 0.750 CA 1.224 Z: 32 58.218 2.313 0.915 0.862 0.968 0.613 CB 1.791 32 residues pruned to eliminate duplicates Z: 119 67.694 2.147 0.724 0.657 0.941 0.746 CB 1.547 110 residues pruned to eliminate duplicates Z: 11 23.415 2.213 0.837 0.873 1.000 0.600 CB 1.326 11 residues pruned to eliminate duplicates Z: 24 40.828 2.065 0.984 0.941 0.957 0.565 CB 1.507 29 residues pruned to eliminate duplicates Z: 22 18.814 1.874 0.346 0.697 0.905 0.619 CA 1.503 24 residues pruned to eliminate duplicates Z: 6 21.516 2.405 0.687 0.883 1.000 0.800 CA 1.715 8 residues pruned to eliminate duplicates Z: 10 21.781 2.338 0.869 0.898 0.778 0.556 CB 1.528 10 residues pruned to eliminate duplicates Z: 11 17.599 1.724 0.672 0.890 1.000 0.900 CA 1.389 9 residues pruned to eliminate duplicates Z: 16 28.229 2.102 0.818 0.942 1.000 0.933 CA 1.322 16 residues pruned to eliminate duplicates Z: 22 28.166 1.894 0.563 0.885 0.952 0.810 CB 1.574 Z: 19 31.809 2.027 0.858 0.792 0.944 0.556 CB 1.632 19 residues pruned to eliminate duplicates Z: 129 69.840 2.092 0.738 0.679 0.945 0.656 CB 1.524 111 residues pruned to eliminate duplicates Z: 17 38.607 2.153 0.905 0.839 0.938 0.562 CA 1.874 17 residues pruned to eliminate duplicates Z: 10 17.046 1.833 0.497 0.902 1.000 1.000 CA 1.477 11 residues pruned to eliminate duplicates Z: 16 36.596 2.096 1.078 0.926 1.000 0.600 CA 1.522 16 residues pruned to eliminate duplicates Z: 16 39.114 2.117 1.134 0.883 1.000 0.733 CB 1.616 15 residues pruned to eliminate duplicates Z: 15 32.128 2.172 0.787 0.881 1.000 0.857 CB 1.603 15 residues pruned to eliminate duplicates Z: 16 35.694 2.290 0.931 0.841 1.000 0.800 CB 1.555 16 residues pruned to eliminate duplicates Z: 10 12.036 1.790 0.557 0.786 0.889 0.667 CA 1.259 10 residues pruned to eliminate duplicates Z: 9 22.042 2.330 0.622 0.840 1.000 0.875 CA 1.539 6 residues pruned to eliminate duplicates Z: 13 22.813 2.074 0.933 0.738 0.833 0.417 CA 1.592 13 residues pruned to eliminate duplicates Z: 15 30.213 2.142 0.994 0.910 1.000 0.786 CA 1.340 15 residues pruned to eliminate duplicates Z: 16 25.774 1.993 0.836 0.905 1.000 0.667 CB 1.294 16 residues pruned to eliminate duplicates Z: 10 24.595 2.146 0.933 0.911 1.000 0.667 CB 1.400 11 residues pruned to eliminate duplicates Z: 12 20.438 1.995 0.661 0.840 1.000 0.909 CB 1.388 12 residues pruned to eliminate duplicates Z: 10 18.297 2.152 0.519 0.822 1.000 0.889 CA 1.412 10 residues pruned to eliminate duplicates Z: 11 15.085 1.843 0.570 0.818 1.000 0.700 CB 1.251 Z: 21 26.121 1.872 0.401 0.889 1.000 0.850 CA 1.603 21 residues pruned to eliminate duplicates Z: 16 33.993 2.092 0.912 0.935 1.000 0.867 CA 1.529 16 residues pruned to eliminate duplicates Z: 11 19.527 2.032 0.765 0.638 0.900 0.400 CA 1.681 11 residues pruned to eliminate duplicates Z: 15 34.426 2.327 1.131 0.869 1.000 0.643 CB 1.354 15 residues pruned to eliminate duplicates Z: 16 31.722 2.084 0.971 0.922 1.000 0.867 CA 1.402 16 residues pruned to eliminate duplicates Z: 22 21.415 1.820 0.338 0.862 0.952 0.667 CA 1.479 22 residues pruned to eliminate duplicates Z: 11 22.859 1.907 1.137 0.906 1.000 0.700 CB 1.262 11 residues pruned to eliminate duplicates Z: 38 16.832 1.710 0.517 0.529 0.865 0.514 CB 1.200 58 residues pruned to eliminate duplicates Z: 29 34.364 1.984 0.721 0.887 0.964 0.857 CA 1.422 29 residues pruned to eliminate duplicates Z: 19 28.675 2.031 0.489 0.778 1.000 0.833 CA 1.748 19 residues pruned to eliminate duplicates Z: 12 25.237 2.025 0.770 0.845 1.000 0.727 CB 1.578 12 residues pruned to eliminate duplicates Z: 9 16.663 1.939 0.481 0.829 1.000 0.625 CA 1.544 9 residues pruned to eliminate duplicates Z: 28 66.411 2.430 1.169 0.931 0.926 0.704 CB 1.831 28 residues pruned to eliminate duplicates Z: 9 21.254 2.315 0.527 0.911 1.000 0.875 CA 1.507 9 residues pruned to eliminate duplicates Z: 27 48.282 2.430 1.013 0.923 0.808 0.269 CB 1.685 27 residues pruned to eliminate duplicates Z: 17 28.188 2.088 0.912 0.916 0.875 0.750 CA 1.425 17 residues pruned to eliminate duplicates Z: 14 43.769 2.362 1.061 0.912 0.923 0.846 CA 1.913 14 residues pruned to eliminate duplicates Z: 15 34.930 2.183 0.869 0.886 1.000 0.929 CA 1.652 15 residues pruned to eliminate duplicates Z: 10 13.512 1.849 0.636 0.795 0.889 0.667 CA 1.294 10 residues pruned to eliminate duplicates Z: 16 35.609 2.125 1.092 0.937 1.000 0.800 CB 1.440 Z: 46 72.488 2.305 1.104 0.829 0.956 0.511 CB 1.754 45 residues pruned to eliminate duplicates Z: 11 19.802 1.959 0.688 0.883 1.000 0.600 CB 1.370 10 residues pruned to eliminate duplicates Z: 15 38.029 2.089 0.991 0.830 1.000 0.786 CA 1.838 15 residues pruned to eliminate duplicates Z: 113 65.578 2.148 0.741 0.651 0.938 0.661 CB 1.535 113 residues pruned to eliminate duplicates Z: 8 14.167 1.846 1.150 0.765 0.857 0.857 CB 1.245 Z: 9 10.860 1.805 0.562 0.821 0.750 0.500 CB 1.375 Z: 17 28.670 2.168 0.868 0.893 1.000 0.812 CB 1.270 17 residues pruned to eliminate duplicates Z: 22 21.134 2.176 0.544 0.540 0.857 0.524 CB 1.540 22 residues pruned to eliminate duplicates Z: 11 17.747 2.025 0.527 0.702 1.000 0.400 CB 1.510 9 residues pruned to eliminate duplicates Z: 15 30.152 2.325 0.585 0.884 1.000 0.857 CB 1.581 15 residues pruned to eliminate duplicates Z: 29 32.567 2.023 0.632 0.873 0.929 0.679 CA 1.462 29 residues pruned to eliminate duplicates Z: 12 14.174 1.839 0.521 0.803 1.000 0.636 CB 1.172 12 residues pruned to eliminate duplicates Z: 11 14.045 2.074 0.597 0.809 1.000 0.500 CB 1.024 11 residues pruned to eliminate duplicates Z: 8 15.854 2.067 0.696 0.810 0.857 0.143 CB 1.522 8 residues pruned to eliminate duplicates Z: 11 24.509 1.962 0.996 0.914 1.000 0.200 CB 1.400 11 residues pruned to eliminate duplicates Z: 6 10.901 1.750 0.418 0.846 1.000 1.000 CA 1.459 Z: 22 26.411 1.855 0.445 0.886 1.000 0.857 CB 1.550 22 residues pruned to eliminate duplicates Z: 20 35.535 1.977 0.747 0.943 1.000 0.842 CB 1.636 21 residues pruned to eliminate duplicates Z: 11 15.283 1.953 0.318 0.894 1.000 1.000 CB 1.348 Z: 44 31.066 2.211 0.576 0.460 0.930 0.512 CB 1.522 44 residues pruned to eliminate duplicates Z: 9 18.568 1.992 0.477 0.840 1.000 0.500 CA 1.664 9 residues pruned to eliminate duplicates Z: 15 30.831 2.198 0.586 0.875 1.000 0.786 CA 1.720 15 residues pruned to eliminate duplicates Z: 20 21.783 1.764 0.451 0.908 1.000 0.895 CB 1.387 15 residues pruned to eliminate duplicates Z: 12 14.094 1.855 0.656 0.774 0.818 0.727 CB 1.327 12 residues pruned to eliminate duplicates Z: 34 24.660 2.261 0.471 0.469 0.818 0.545 CB 1.628 34 residues pruned to eliminate duplicates Z: 29 38.551 2.026 0.723 0.885 0.964 0.750 CB 1.563 29 residues pruned to eliminate duplicates Z: 17 34.551 2.171 0.682 0.784 1.000 0.812 CA 1.843 18 residues pruned to eliminate duplicates Z: 24 37.429 2.097 0.765 0.942 0.957 0.783 CA 1.529 24 residues pruned to eliminate duplicates Z: 16 32.708 2.067 1.067 0.881 0.933 0.933 CA 1.534 16 residues pruned to eliminate duplicates Z: 11 22.136 1.980 0.759 0.846 1.000 0.700 CB 1.493 11 residues pruned to eliminate duplicates Z: 35 31.368 2.092 0.773 0.635 0.882 0.618 CB 1.449 35 residues pruned to eliminate duplicates Z: 10 26.598 2.159 1.031 0.913 1.000 0.444 CB 1.431 10 residues pruned to eliminate duplicates Z: 44 72.735 2.314 1.075 0.843 0.953 0.512 CB 1.805 44 residues pruned to eliminate duplicates Z: 8 14.580 1.977 0.369 0.834 1.000 0.714 CB 1.526 8 residues pruned to eliminate duplicates Z: 16 37.274 2.105 1.026 0.905 1.000 0.933 CB 1.606 16 residues pruned to eliminate duplicates Z: 12 14.254 1.860 0.540 0.858 0.818 0.727 CB 1.350 11 residues pruned to eliminate duplicates Z: 6 9.400 1.928 0.736 0.679 0.800 0.600 CB 1.332 6 residues pruned to eliminate duplicates Z: 8 12.503 1.901 1.056 0.851 0.714 0.429 CB 1.253 8 residues pruned to eliminate duplicates Z: 25 19.426 1.905 0.346 0.596 0.917 0.625 CB 1.539 Z: 11 19.456 1.938 0.661 0.919 1.000 1.000 CB 1.347 11 residues pruned to eliminate duplicates Z: 51 52.088 2.115 0.832 0.715 0.960 0.700 CB 1.630 44 residues pruned to eliminate duplicates Z: 7 11.860 1.708 0.960 0.699 0.833 0.333 CA 1.448 7 residues pruned to eliminate duplicates Z: 64 41.139 2.063 0.611 0.643 0.905 0.683 CB 1.508 64 residues pruned to eliminate duplicates Z: 25 40.016 2.070 0.985 0.894 0.917 0.542 CA 1.555 25 residues pruned to eliminate duplicates Z: 13 14.647 2.024 0.428 0.740 0.917 0.500 CB 1.287 13 residues pruned to eliminate duplicates Z: 28 35.502 2.080 0.604 0.932 0.963 0.852 CA 1.484 28 residues pruned to eliminate duplicates Z: 18 22.459 2.054 0.471 0.914 1.000 0.882 CB 1.275 18 residues pruned to eliminate duplicates Z: 27 35.841 2.091 0.534 0.934 1.000 0.962 CA 1.528 27 residues pruned to eliminate duplicates Z: 39 31.120 2.097 0.867 0.695 0.816 0.526 CB 1.322 16 residues pruned to eliminate duplicates Z: 17 24.665 2.177 0.642 0.920 1.000 0.812 CB 1.214 17 residues pruned to eliminate duplicates Z: 30 19.618 2.082 0.501 0.452 0.828 0.552 CB 1.481 30 residues pruned to eliminate duplicates Z: 12 21.635 1.987 0.504 0.891 1.000 0.909 CB 1.570 12 residues pruned to eliminate duplicates Z: 28 63.667 2.404 1.163 0.944 0.926 0.481 CB 1.762 28 residues pruned to eliminate duplicates Z: 10 16.275 2.046 0.434 0.794 0.889 0.667 N 1.608 11 residues pruned to eliminate duplicates Z: 9 17.951 1.941 0.555 0.899 1.000 0.750 CB 1.503 10 residues pruned to eliminate duplicates Z: 25 35.020 2.077 0.671 0.957 0.958 0.792 CA 1.475 25 residues pruned to eliminate duplicates Z: 6 11.445 2.163 0.694 0.622 0.800 0.600 CA 1.557 6 residues pruned to eliminate duplicates Z: 28 65.066 2.409 1.167 0.938 0.926 0.556 CB 1.802 28 residues pruned to eliminate duplicates Z: 11 21.066 1.947 0.541 0.915 1.000 0.900 CB 1.569 11 residues pruned to eliminate duplicates Z: 6 9.769 1.840 0.480 0.812 1.000 0.800 CA 1.222 6 residues pruned to eliminate duplicates Z: 29 38.884 2.048 0.832 0.902 0.964 0.893 CA 1.448 29 residues pruned to eliminate duplicates Z: 12 11.527 1.740 0.307 0.666 0.909 0.545 N 1.442 12 residues pruned to eliminate duplicates Z: 9 11.118 1.950 -0.020 0.884 1.000 0.875 N 1.486 9 residues pruned to eliminate duplicates Z: 10 8.601 1.635 0.485 0.757 0.667 0.556 CB 1.409 10 residues pruned to eliminate duplicates Z: 9 11.321 1.703 0.394 0.840 1.000 0.625 CB 1.258 Z: 13 31.168 2.330 0.705 0.935 1.000 0.917 CA 1.578 13 residues pruned to eliminate duplicates Z: 29 32.470 2.009 0.643 0.886 0.964 0.857 CA 1.391 29 residues pruned to eliminate duplicates Z: 15 30.725 2.205 0.974 0.920 0.929 0.786 CA 1.430 15 residues pruned to eliminate duplicates Z: 15 27.728 2.326 0.973 0.854 0.857 0.429 CB 1.391 15 residues pruned to eliminate duplicates Z: 28 39.677 2.062 0.914 0.920 0.926 0.630 CA 1.471 28 residues pruned to eliminate duplicates Z: 14 20.423 1.807 0.576 0.895 1.000 0.846 CA 1.426 14 residues pruned to eliminate duplicates Z: 12 25.091 2.159 0.727 0.851 1.000 0.636 CA 1.502 12 residues pruned to eliminate duplicates Z: 9 10.941 2.058 -0.184 0.910 1.000 0.875 CA 1.634 9 residues pruned to eliminate duplicates Z: 57 46.874 2.204 0.754 0.586 1.000 0.571 CB 1.492 57 residues pruned to eliminate duplicates Z: 18 26.592 1.963 0.989 0.891 0.882 0.647 CA 1.346 18 residues pruned to eliminate duplicates Z: 9 7.576 1.847 0.328 0.421 0.875 0.750 CB 1.354 Z: 31 24.972 2.004 0.659 0.525 0.867 0.533 CB 1.543 31 residues pruned to eliminate duplicates Z: 15 35.034 2.052 1.161 0.823 1.000 0.429 CA 1.596 15 residues pruned to eliminate duplicates Z: 27 38.870 2.074 0.715 0.937 1.000 0.885 CA 1.492 27 residues pruned to eliminate duplicates Z: 47 31.269 2.043 0.748 0.655 0.891 0.609 CB 1.254 38 residues pruned to eliminate duplicates Z: 12 15.448 1.852 0.404 0.821 1.000 0.909 CB 1.357 12 residues pruned to eliminate duplicates Z: 16 27.536 2.062 0.983 0.928 0.933 0.733 CA 1.305 16 residues pruned to eliminate duplicates Z: 17 30.318 2.112 1.056 0.910 1.000 0.750 CB 1.238 17 residues pruned to eliminate duplicates Z: 47 61.586 2.236 0.902 0.829 0.935 0.674 CA 1.718 47 residues pruned to eliminate duplicates Z: 13 13.503 2.034 0.358 0.784 0.833 0.750 CB 1.319 13 residues pruned to eliminate duplicates Z: 11 16.640 2.265 0.302 0.890 0.900 0.600 CB 1.426 11 residues pruned to eliminate duplicates Z: 23 44.232 2.086 1.012 0.952 1.000 0.500 CB 1.548 23 residues pruned to eliminate duplicates Z: 10 12.039 1.836 0.286 0.799 0.889 0.667 CA 1.472 10 residues pruned to eliminate duplicates Z: 12 3.929 1.691 0.201 0.284 0.636 0.364 N 1.170 Z: 9 17.734 1.968 0.910 0.776 1.000 0.625 CB 1.307 9 residues pruned to eliminate duplicates Z: 15 16.483 1.644 0.631 0.821 0.929 0.571 CA 1.339 15 residues pruned to eliminate duplicates Z: 87 55.664 2.083 0.751 0.713 0.919 0.628 CB 1.477 87 residues pruned to eliminate duplicates Z: 29 48.591 2.286 0.781 0.903 0.964 0.750 CA 1.668 29 residues pruned to eliminate duplicates Z: 11 22.796 1.991 0.817 0.903 1.000 1.000 CB 1.420 12 residues pruned to eliminate duplicates Z: 35 42.727 1.983 0.830 0.856 0.971 0.706 CA 1.534 35 residues pruned to eliminate duplicates Z: 22 29.258 1.834 0.606 0.876 1.000 0.619 CA 1.575 22 residues pruned to eliminate duplicates Z: 27 25.544 2.013 0.760 0.674 0.923 0.769 CB 1.304 27 residues pruned to eliminate duplicates Z: 9 16.117 1.929 0.376 0.872 1.000 0.750 CA 1.564 9 residues pruned to eliminate duplicates Z: 10 8.298 1.858 -0.023 0.691 0.889 0.667 CB 1.440 10 residues pruned to eliminate duplicates Z: 11 5.795 1.644 0.704 0.372 0.800 0.600 N 0.938 7 residues pruned to eliminate duplicates Z: 7 14.299 2.249 0.396 0.781 1.000 0.833 CA 1.451 7 residues pruned to eliminate duplicates Z: 53 50.258 2.077 0.694 0.726 1.000 0.750 CB 1.616 53 residues pruned to eliminate duplicates Z: 13 15.598 1.751 0.412 0.839 1.000 0.917 CB 1.360 13 residues pruned to eliminate duplicates Z: 27 27.762 2.071 0.686 0.713 0.962 0.731 CB 1.337 27 residues pruned to eliminate duplicates Z: 16 34.774 2.097 1.104 0.896 0.933 0.933 CA 1.562 16 residues pruned to eliminate duplicates Z: 11 21.321 2.137 0.679 0.758 0.900 0.500 CA 1.660 11 residues pruned to eliminate duplicates Z: 11 12.506 1.788 0.799 0.791 0.800 0.500 CB 1.190 11 residues pruned to eliminate duplicates Z: 67 43.652 2.100 0.691 0.604 0.894 0.636 CB 1.533 66 residues pruned to eliminate duplicates Z: 9 19.597 2.083 0.595 0.876 1.000 0.750 CB 1.515 9 residues pruned to eliminate duplicates Z: 12 16.831 2.046 0.240 0.867 1.000 0.818 CA 1.464 12 residues pruned to eliminate duplicates Z: 6 10.340 1.818 0.495 0.836 1.000 1.000 CA 1.274 6 residues pruned to eliminate duplicates Z: 36 30.224 2.126 0.632 0.668 0.886 0.629 CB 1.424 36 residues pruned to eliminate duplicates Z: 29 33.425 2.015 0.628 0.888 1.000 0.857 CA 1.388 29 residues pruned to eliminate duplicates Z: 9 17.866 1.986 0.402 0.869 1.000 0.750 CA 1.657 8 residues pruned to eliminate duplicates Z: 8 7.360 1.493 0.524 0.785 0.857 0.857 CA 1.110 8 residues pruned to eliminate duplicates Z: 6 2.282 1.876 -0.249 0.244 0.800 0.400 CB 1.217 Z: 15 42.766 2.255 1.101 0.928 0.929 0.929 N 1.819 15 residues pruned to eliminate duplicates Z: 30 20.283 1.864 0.512 0.597 0.828 0.379 CB 1.471 25 residues pruned to eliminate duplicates Z: 42 23.340 2.235 0.464 0.380 0.805 0.488 CB 1.572 42 residues pruned to eliminate duplicates Z: 14 15.713 1.776 0.436 0.866 0.923 0.923 CB 1.356 12 residues pruned to eliminate duplicates Z: 18 28.896 1.942 1.169 0.899 0.941 0.647 CA 1.264 18 residues pruned to eliminate duplicates Z: 51 43.605 2.074 0.655 0.700 0.940 0.640 CB 1.593 51 residues pruned to eliminate duplicates Z: 25 35.508 2.086 0.635 0.944 0.958 0.875 CA 1.536 25 residues pruned to eliminate duplicates Z: 11 20.250 1.938 0.744 0.838 1.000 0.800 CB 1.416 11 residues pruned to eliminate duplicates Z: 9 5.607 1.692 0.459 0.500 0.875 0.625 CB 0.918 Z: 11 23.046 2.115 0.683 0.829 1.000 0.800 CB 1.540 11 residues pruned to eliminate duplicates Z: 28 37.971 1.980 0.797 0.920 0.963 0.593 CB 1.502 28 residues pruned to eliminate duplicates Z: 15 36.469 2.306 0.953 0.905 1.000 0.571 CB 1.539 16 residues pruned to eliminate duplicates Z: 14 20.152 2.094 0.927 0.809 0.769 0.385 CB 1.376 14 residues pruned to eliminate duplicates Z: 9 9.502 1.627 1.215 0.505 0.750 0.750 O 1.237 9 residues pruned to eliminate duplicates Z: 13 24.776 1.943 0.834 0.910 1.000 0.917 CB 1.423 13 residues pruned to eliminate duplicates Z: 45 22.358 2.023 0.526 0.402 0.864 0.523 CB 1.402 45 residues pruned to eliminate duplicates Z: 18 25.890 2.009 0.395 0.911 0.941 0.824 CB 1.687 18 residues pruned to eliminate duplicates Z: 21 28.340 1.868 0.769 0.922 0.900 0.600 CB 1.498 21 residues pruned to eliminate duplicates Z: 18 21.480 1.897 0.555 0.836 1.000 0.765 CB 1.322 18 residues pruned to eliminate duplicates Z: 85 46.771 2.180 0.559 0.530 0.929 0.631 CB 1.570 83 residues pruned to eliminate duplicates Z: 16 28.829 2.135 0.889 0.867 0.933 0.667 CA 1.447 16 residues pruned to eliminate duplicates Z: 17 20.244 2.077 0.336 0.861 1.000 0.812 CB 1.340 17 residues pruned to eliminate duplicates Z: 117 60.050 2.112 0.671 0.593 0.948 0.655 CB 1.525 117 residues pruned to eliminate duplicates Z: 16 30.972 2.070 0.881 0.921 1.000 0.933 CA 1.446 16 residues pruned to eliminate duplicates Z: 24 27.378 2.018 0.742 0.609 1.000 0.478 CB 1.464 18 residues pruned to eliminate duplicates Z: 77 73.974 2.274 0.926 0.739 0.934 0.684 CB 1.673 82 residues pruned to eliminate duplicates Z: 17 21.085 2.055 0.470 0.918 1.000 0.938 CB 1.231 17 residues pruned to eliminate duplicates Z: 71 47.853 2.186 0.677 0.579 0.900 0.686 CB 1.607 71 residues pruned to eliminate duplicates Z: 18 29.431 2.073 0.891 0.898 1.000 0.941 CB 1.302 18 residues pruned to eliminate duplicates Z: 15 29.999 2.202 0.816 0.907 1.000 0.857 CB 1.425 15 residues pruned to eliminate duplicates Z: 13 18.979 2.057 0.701 0.773 1.000 0.833 CB 1.230 13 residues pruned to eliminate duplicates Z: 31 36.687 2.115 0.786 0.671 0.933 0.767 CB 1.622 31 residues pruned to eliminate duplicates Z: 8 11.213 2.063 0.456 0.854 0.857 0.714 CB 1.216 8 residues pruned to eliminate duplicates Z: 20 24.212 1.719 0.702 0.930 0.947 0.789 CB 1.401 20 residues pruned to eliminate duplicates Z: 189 74.624 2.036 0.724 0.637 0.931 0.638 CB 1.465 190 residues pruned to eliminate duplicates Z: 22 27.076 1.809 0.569 0.895 1.000 0.857 CB 1.493 22 residues pruned to eliminate duplicates Z: 34 26.056 1.983 0.841 0.627 0.848 0.576 CB 1.299 39 residues pruned to eliminate duplicates Z: 17 25.571 2.141 0.658 0.897 1.000 0.812 CB 1.290 17 residues pruned to eliminate duplicates Z: 10 22.131 2.016 0.616 0.924 1.000 1.000 CB 1.590 10 residues pruned to eliminate duplicates Z: 16 41.570 2.073 1.296 0.888 1.000 0.933 CA 1.625 16 residues pruned to eliminate duplicates Z: 11 11.460 1.920 0.392 0.681 0.900 0.700 CB 1.276 11 residues pruned to eliminate duplicates Z: 13 17.547 1.739 0.630 0.813 1.000 0.667 CB 1.360 13 residues pruned to eliminate duplicates Z: 21 30.881 1.893 0.699 0.899 1.000 0.800 CB 1.535 21 residues pruned to eliminate duplicates Z: 12 11.482 1.731 0.722 0.606 0.909 0.364 CB 1.155 12 residues pruned to eliminate duplicates Z: 71 37.779 2.104 0.600 0.501 0.886 0.543 CB 1.512 71 residues pruned to eliminate duplicates Z: 21 23.491 1.716 0.626 0.924 0.950 0.850 CA 1.392 21 residues pruned to eliminate duplicates Z: 27 34.570 2.064 0.614 0.934 0.962 0.885 CA 1.475 27 residues pruned to eliminate duplicates Z: 24 41.476 2.050 0.987 0.938 0.957 0.348 CB 1.543 24 residues pruned to eliminate duplicates Z: 66 43.107 2.096 0.727 0.573 0.877 0.585 CB 1.570 66 residues pruned to eliminate duplicates Z: 22 17.840 1.920 0.638 0.523 0.905 0.619 CB 1.338 20 residues pruned to eliminate duplicates Z: 91 48.228 2.107 0.600 0.576 0.922 0.700 CB 1.519 87 residues pruned to eliminate duplicates Z: 35 18.436 1.910 0.582 0.577 0.853 0.471 CB 1.139 24 residues pruned to eliminate duplicates Z: 21 30.116 2.359 0.847 0.627 0.850 0.650 CB 1.614 21 residues pruned to eliminate duplicates Z: 6 2.831 1.506 0.785 0.839 1.000 0.800 CA 0.352 6 residues pruned to eliminate duplicates Z: 7 17.356 2.122 0.416 0.890 1.000 1.000 CA 1.697 7 residues pruned to eliminate duplicates Z: 16 19.535 2.007 0.645 0.892 0.867 0.667 CB 1.266 16 residues pruned to eliminate duplicates Z: 16 32.244 2.269 0.984 0.893 0.933 0.733 CB 1.422 16 residues pruned to eliminate duplicates Z: 13 13.018 1.752 0.396 0.803 0.917 0.667 CA 1.286 13 residues pruned to eliminate duplicates Z: 9 6.295 1.780 0.559 0.476 0.750 0.500 CB 1.096 4 residues pruned to eliminate duplicates Z: 22 33.435 1.951 0.978 0.903 0.952 0.286 CA 1.415 22 residues pruned to eliminate duplicates Z: 12 12.595 1.757 0.142 0.910 0.909 0.727 CA 1.476 12 residues pruned to eliminate duplicates Z: 16 31.765 2.062 0.931 0.929 1.000 0.933 CA 1.442 16 residues pruned to eliminate duplicates Z: 39 32.429 2.107 0.674 0.661 0.895 0.605 CB 1.436 39 residues pruned to eliminate duplicates Z: 16 22.955 1.977 0.884 0.921 1.000 0.733 CB 1.120 16 residues pruned to eliminate duplicates Z: 9 9.358 1.425 0.391 0.863 1.000 0.625 CA 1.224 Z: 11 15.379 1.708 0.575 0.865 0.900 0.900 CB 1.472 11 residues pruned to eliminate duplicates Z: 25 25.639 2.048 0.686 0.707 0.917 0.667 CB 1.369 25 residues pruned to eliminate duplicates Z: 14 12.617 1.780 0.428 0.647 0.923 0.769 CB 1.300 9 residues pruned to eliminate duplicates Z: 14 8.385 1.536 0.675 0.476 0.846 0.462 CB 1.095 10 residues pruned to eliminate duplicates Z: 8 8.065 1.435 0.288 0.880 1.000 0.571 CB 1.195 8 residues pruned to eliminate duplicates Z: 43 35.837 2.022 0.727 0.612 0.905 0.643 CB 1.573 27 residues pruned to eliminate duplicates Z: 20 28.826 1.961 0.404 0.934 1.000 0.895 CA 1.676 20 residues pruned to eliminate duplicates Z: 16 24.004 1.949 0.513 0.904 1.000 0.867 CA 1.497 16 residues pruned to eliminate duplicates Z: 45 77.840 2.338 1.090 0.847 0.955 0.614 CB 1.867 45 residues pruned to eliminate duplicates Z: 10 16.886 1.938 0.741 0.875 0.889 0.667 CB 1.365 10 residues pruned to eliminate duplicates Z: 15 16.957 1.656 0.496 0.810 1.000 0.714 CB 1.396 15 residues pruned to eliminate duplicates Z: 15 36.089 2.181 0.996 0.875 0.929 0.929 CB 1.735 15 residues pruned to eliminate duplicates Z: 28 32.963 1.992 0.791 0.836 0.889 0.630 CA 1.498 28 residues pruned to eliminate duplicates Z: 14 16.032 1.771 0.395 0.857 0.923 0.615 CB 1.437 14 residues pruned to eliminate duplicates Z: 18 24.816 1.818 0.524 0.931 1.000 0.941 CB 1.519 18 residues pruned to eliminate duplicates Z: 12 11.463 1.713 0.349 0.876 0.909 0.909 CA 1.196 12 residues pruned to eliminate duplicates Z: 15 14.308 1.638 0.522 0.826 0.929 0.786 CA 1.245 15 residues pruned to eliminate duplicates Z: 10 7.841 1.737 0.409 0.525 0.889 0.667 CB 1.172 10 residues pruned to eliminate duplicates Z: 70 38.339 2.119 0.659 0.517 0.870 0.594 CB 1.483 118 residues pruned to eliminate duplicates Z: 10 18.534 2.045 0.604 0.691 1.000 0.444 CB 1.582 10 residues pruned to eliminate duplicates Z: 30 45.219 2.287 1.085 0.836 0.828 0.517 CB 1.592 30 residues pruned to eliminate duplicates Z: 70 49.928 2.177 0.771 0.574 0.971 0.551 CB 1.494 70 residues pruned to eliminate duplicates Z: 53 50.048 2.090 0.743 0.709 0.962 0.769 CB 1.638 53 residues pruned to eliminate duplicates Z: 11 23.475 2.212 0.759 0.869 0.900 0.800 CB 1.548 11 residues pruned to eliminate duplicates Z: 12 12.189 1.648 0.318 0.879 0.909 0.818 CB 1.349 Z: 28 35.084 2.020 0.664 0.919 0.963 0.481 CB 1.470 28 residues pruned to eliminate duplicates Z: 10 18.668 2.127 0.768 0.875 0.889 0.778 CA 1.354 10 residues pruned to eliminate duplicates Z: 12 10.322 1.836 0.304 0.644 0.818 0.636 CB 1.390 12 residues pruned to eliminate duplicates Z: 10 6.773 2.000 0.225 0.385 0.889 0.667 CB 1.171 10 residues pruned to eliminate duplicates Z: 24 30.408 1.962 1.034 0.701 0.870 0.565 CA 1.520 24 residues pruned to eliminate duplicates Z: 13 34.402 2.330 0.905 0.912 1.000 0.917 CB 1.585 13 residues pruned to eliminate duplicates Z: 7 3.787 1.642 1.018 0.277 0.833 0.500 CB 0.721 Z: 26 28.586 2.043 0.743 0.636 1.000 0.600 CB 1.414 26 residues pruned to eliminate duplicates Z: 14 8.517 2.049 0.527 0.257 0.769 0.231 CB 1.296 14 residues pruned to eliminate duplicates Z: 11 19.238 1.720 0.861 0.847 1.000 0.500 CB 1.411 11 residues pruned to eliminate duplicates Z: 7 3.515 1.546 0.165 0.340 0.833 0.500 O 1.138 Z: 11 6.506 1.518 0.604 0.466 0.800 0.500 CB 1.094 11 residues pruned to eliminate duplicates Z: 18 22.641 2.026 0.653 0.885 1.000 0.765 CB 1.184 18 residues pruned to eliminate duplicates Z: 11 15.371 1.893 0.265 0.908 1.000 0.900 CB 1.442 11 residues pruned to eliminate duplicates Z: 17 28.029 2.128 0.807 0.904 1.000 0.938 CB 1.298 17 residues pruned to eliminate duplicates Z: 13 12.915 1.712 0.103 0.866 1.000 0.750 CA 1.446 11 residues pruned to eliminate duplicates Z: 14 10.600 1.805 0.597 0.408 0.846 0.385 CA 1.329 14 residues pruned to eliminate duplicates Z: 91 45.271 2.078 0.631 0.563 0.922 0.611 CB 1.437 91 residues pruned to eliminate duplicates Z: 57 39.914 2.155 0.642 0.575 0.875 0.589 CB 1.603 57 residues pruned to eliminate duplicates Z: 13 18.157 2.086 0.599 0.740 0.917 0.833 CB 1.383 13 residues pruned to eliminate duplicates Z: 12 20.945 2.112 0.934 0.804 0.818 0.636 CA 1.449 12 residues pruned to eliminate duplicates Z: 12 8.993 2.098 0.556 0.436 0.727 0.455 CB 1.220 12 residues pruned to eliminate duplicates Z: 13 17.677 2.046 0.596 0.854 0.833 0.750 CA 1.385 13 residues pruned to eliminate duplicates Z: 29 50.877 2.335 0.850 0.904 0.929 0.643 CB 1.707 29 residues pruned to eliminate duplicates Z: 12 12.659 1.546 0.593 0.786 1.000 0.727 CB 1.205 12 residues pruned to eliminate duplicates Z: 27 23.178 1.992 0.404 0.598 0.962 0.769 CB 1.539 27 residues pruned to eliminate duplicates Z: 28 54.713 2.404 0.974 0.922 0.889 0.741 CB 1.756 28 residues pruned to eliminate duplicates Z: 65 41.026 2.066 0.661 0.628 0.906 0.562 CB 1.462 65 residues pruned to eliminate duplicates Z: 14 44.956 2.237 1.163 0.932 1.000 1.000 CA 1.799 14 residues pruned to eliminate duplicates Z: 12 14.555 1.883 0.278 0.710 1.000 0.545 CA 1.507 12 residues pruned to eliminate duplicates Z: 12 11.627 1.370 0.631 0.811 1.000 0.636 CA 1.197 7 residues pruned to eliminate duplicates Z: 16 29.193 2.039 0.743 0.803 0.933 0.800 CB 1.744 16 residues pruned to eliminate duplicates Z: 21 14.019 1.859 0.254 0.558 0.900 0.700 CB 1.413 12 residues pruned to eliminate duplicates Z: 26 35.797 2.004 0.947 0.911 0.880 0.440 CB 1.478 26 residues pruned to eliminate duplicates Z: 20 23.170 1.764 0.606 0.933 0.947 0.842 CB 1.382 Z: 9 16.338 1.921 0.621 0.912 1.000 0.875 N 1.314 9 residues pruned to eliminate duplicates Z: 38 26.753 2.147 0.577 0.413 0.892 0.405 CB 1.595 39 residues pruned to eliminate duplicates Z: 15 30.429 2.058 0.959 0.939 1.000 0.786 CB 1.402 15 residues pruned to eliminate duplicates Z: 13 11.311 1.844 0.483 0.637 0.833 0.417 CB 1.259 13 residues pruned to eliminate duplicates Z: 7 4.993 1.759 0.475 0.375 0.667 0.500 O 1.347 Z: 30 41.398 2.008 0.940 0.910 0.897 0.621 CA 1.560 30 residues pruned to eliminate duplicates Z: 23 18.471 2.001 0.331 0.563 0.955 0.773 CA 1.458 23 residues pruned to eliminate duplicates Z: 11 16.307 1.861 0.448 0.763 1.000 0.900 CB 1.514 11 residues pruned to eliminate duplicates Z: 18 22.292 1.947 0.183 0.921 1.000 1.000 CB 1.652 18 residues pruned to eliminate duplicates Z: 16 22.635 1.995 0.710 0.909 1.000 0.733 CB 1.216 16 residues pruned to eliminate duplicates Z: 16 29.083 2.022 0.986 0.923 1.000 0.867 CB 1.314 16 residues pruned to eliminate duplicates Z: 16 30.345 2.016 1.148 0.924 1.000 0.600 CB 1.271 16 residues pruned to eliminate duplicates Z: 15 19.999 1.787 0.439 0.911 1.000 0.786 CB 1.473 14 residues pruned to eliminate duplicates Z: 15 18.024 1.698 0.532 0.810 1.000 0.571 CB 1.413 15 residues pruned to eliminate duplicates Z: 13 17.492 2.012 0.500 0.809 1.000 0.667 CB 1.278 13 residues pruned to eliminate duplicates Z: 20 20.585 1.759 0.591 0.915 0.895 0.895 CB 1.333 20 residues pruned to eliminate duplicates Z: 16 33.310 2.048 1.061 0.913 1.000 0.800 CA 1.442 16 residues pruned to eliminate duplicates Z: 28 37.016 1.948 0.763 0.849 1.000 0.667 CB 1.537 28 residues pruned to eliminate duplicates Z: 6 8.138 1.633 0.427 0.682 1.000 0.800 CB 1.321 Z: 12 12.399 1.620 0.437 0.862 0.909 0.455 N 1.297 12 residues pruned to eliminate duplicates Z: 13 13.581 1.981 0.220 0.857 0.917 0.833 CA 1.304 13 residues pruned to eliminate duplicates Z: 11 21.824 1.998 0.789 0.903 1.000 1.000 CB 1.376 11 residues pruned to eliminate duplicates Z: 12 6.133 1.832 0.281 0.306 0.909 0.545 CB 1.075 12 residues pruned to eliminate duplicates Z: 21 23.353 1.869 0.350 0.887 1.000 0.750 CA 1.492 21 residues pruned to eliminate duplicates Z: 8 17.725 2.026 0.404 0.903 1.000 0.857 CA 1.680 8 residues pruned to eliminate duplicates Z: 10 17.893 1.877 0.470 0.835 1.000 0.667 CB 1.619 10 residues pruned to eliminate duplicates Z: 21 22.253 1.719 0.594 0.930 0.950 0.700 CB 1.337 21 residues pruned to eliminate duplicates Z: 9 17.156 1.735 0.996 0.858 1.000 0.500 CB 1.289 9 residues pruned to eliminate duplicates Z: 10 21.006 1.986 0.889 0.921 1.000 1.000 CB 1.313 10 residues pruned to eliminate duplicates Z: 19 26.493 1.796 0.756 0.934 0.944 0.778 CB 1.462 20 residues pruned to eliminate duplicates Z: 17 25.617 2.123 0.740 0.910 1.000 0.688 CB 1.230 17 residues pruned to eliminate duplicates Z: 10 18.530 1.801 0.635 0.819 1.000 0.778 CA 1.590 10 residues pruned to eliminate duplicates Z: 7 8.146 1.452 0.568 0.883 1.000 0.833 CA 1.056 7 residues pruned to eliminate duplicates Z: 12 20.216 2.139 0.543 0.825 0.909 0.636 CB 1.534 12 residues pruned to eliminate duplicates Z: 64 42.770 2.234 0.687 0.477 0.905 0.587 CB 1.618 64 residues pruned to eliminate duplicates Z: 16 32.682 2.090 0.886 0.897 1.000 0.667 CA 1.532 16 residues pruned to eliminate duplicates Z: 16 34.141 2.054 1.096 0.939 1.000 0.800 CA 1.423 16 residues pruned to eliminate duplicates Z: 11 10.567 1.684 0.678 0.804 1.000 0.800 CB 0.907 11 residues pruned to eliminate duplicates Z: 16 30.656 2.069 0.960 0.870 1.000 0.800 CA 1.425 16 residues pruned to eliminate duplicates Z: 44 76.118 2.421 1.003 0.859 0.977 0.744 CB 1.804 44 residues pruned to eliminate duplicates Z: 25 17.310 1.910 0.703 0.535 0.792 0.583 CB 1.325 25 residues pruned to eliminate duplicates Z: 11 11.956 1.727 0.462 0.712 1.000 0.600 CA 1.236 11 residues pruned to eliminate duplicates Z: 15 7.042 1.931 0.382 0.276 0.714 0.429 CB 1.273 15 residues pruned to eliminate duplicates Z: 48 32.445 2.113 0.685 0.564 0.809 0.511 CB 1.546 48 residues pruned to eliminate duplicates Z: 6 12.647 1.752 0.789 0.841 1.000 0.600 CA 1.346 6 residues pruned to eliminate duplicates Z: 11 14.856 1.881 0.500 0.899 1.000 0.900 CA 1.190 11 residues pruned to eliminate duplicates Z: 52 51.181 2.121 0.733 0.707 0.980 0.745 CB 1.647 52 residues pruned to eliminate duplicates Z: 9 19.738 1.986 0.521 0.887 1.000 0.500 CA 1.665 9 residues pruned to eliminate duplicates Z: 22 18.663 1.798 0.295 0.804 0.952 0.810 CB 1.408 22 residues pruned to eliminate duplicates Z: 17 30.233 1.992 0.924 0.904 1.000 0.875 CB 1.404 17 residues pruned to eliminate duplicates Z: 35 21.482 1.921 0.752 0.572 0.853 0.618 CB 1.197 35 residues pruned to eliminate duplicates Z: 20 16.359 1.855 0.212 0.654 1.000 0.737 CA 1.447 20 residues pruned to eliminate duplicates Z: 7 3.086 1.496 0.311 0.294 0.833 0.333 CB 0.971 Z: 26 16.347 1.969 0.489 0.427 0.880 0.480 CB 1.368 26 residues pruned to eliminate duplicates Z: 16 26.631 2.029 0.985 0.916 0.933 0.800 CB 1.292 16 residues pruned to eliminate duplicates Z: 6 5.795 1.884 -0.045 0.657 1.000 0.800 CB 1.244 12 residues pruned to eliminate duplicates Z: 17 27.856 2.071 1.017 0.896 1.000 0.625 CB 1.194 17 residues pruned to eliminate duplicates Z: 60 36.782 2.095 0.511 0.579 0.898 0.661 CB 1.561 60 residues pruned to eliminate duplicates Z: 17 13.664 1.647 0.410 0.736 0.875 0.500 CB 1.360 17 residues pruned to eliminate duplicates Z: 11 11.038 1.785 0.606 0.493 1.000 0.800 CB 1.226 13 residues pruned to eliminate duplicates Z: 7 15.810 2.172 0.545 0.844 1.000 0.833 CA 1.431 7 residues pruned to eliminate duplicates Z: 16 16.467 1.994 0.632 0.569 0.867 0.533 CB 1.410 16 residues pruned to eliminate duplicates Z: 9 10.583 1.746 0.475 0.723 1.000 0.750 CB 1.188 9 residues pruned to eliminate duplicates Z: 21 36.904 1.910 0.882 0.936 1.000 0.500 CB 1.599 21 residues pruned to eliminate duplicates Z: 39 26.825 1.784 0.560 0.824 0.868 0.421 CB 1.360 39 residues pruned to eliminate duplicates Z: 18 16.068 2.021 0.487 0.523 0.941 0.647 CA 1.346 18 residues pruned to eliminate duplicates Z: 25 40.741 2.086 1.116 0.916 0.833 0.667 CA 1.597 25 residues pruned to eliminate duplicates Z: 8 12.626 1.805 0.468 0.845 1.000 0.714 CA 1.339 8 residues pruned to eliminate duplicates Z: 12 14.725 1.841 0.651 0.862 0.909 0.818 CB 1.179 12 residues pruned to eliminate duplicates Z: 31 21.116 1.953 0.622 0.583 0.967 0.633 CB 1.162 43 residues pruned to eliminate duplicates Z: 9 7.548 1.313 0.467 0.858 1.000 0.750 CA 1.021 9 residues pruned to eliminate duplicates Z: 16 34.646 2.073 1.049 0.923 1.000 0.933 CA 1.481 16 residues pruned to eliminate duplicates Z: 10 7.191 1.590 0.748 0.764 0.778 0.667 CB 0.878 Z: 7 4.716 1.802 -0.026 0.463 1.000 0.333 CB 1.139 Z: 9 9.945 1.724 0.520 0.623 1.000 0.625 CB 1.195 Z: 10 16.009 1.917 0.368 0.790 1.000 0.778 CB 1.577 10 residues pruned to eliminate duplicates Z: 29 28.869 2.106 0.674 0.670 0.964 0.786 CB 1.372 29 residues pruned to eliminate duplicates Z: 11 16.252 1.885 0.673 0.722 1.000 0.400 CA 1.334 11 residues pruned to eliminate duplicates Z: 23 35.830 2.090 0.801 0.934 0.955 0.545 CA 1.483 23 residues pruned to eliminate duplicates Z: 10 8.082 1.996 0.529 0.406 0.778 0.333 CB 1.253 10 residues pruned to eliminate duplicates Z: 13 16.225 2.012 0.509 0.795 0.917 0.667 CB 1.299 13 residues pruned to eliminate duplicates Z: 38 34.739 1.808 0.830 0.844 0.919 0.486 CB 1.397 38 residues pruned to eliminate duplicates Z: 10 7.441 1.736 0.504 0.478 0.778 0.444 CA 1.249 10 residues pruned to eliminate duplicates Z: 39 39.810 2.081 0.702 0.714 0.947 0.711 CB 1.585 39 residues pruned to eliminate duplicates Z: 28 64.198 2.362 1.160 0.914 0.963 0.630 CA 1.778 28 residues pruned to eliminate duplicates Z: 30 26.054 2.149 0.563 0.459 0.931 0.483 CA 1.614 30 residues pruned to eliminate duplicates Z: 35 22.771 2.000 0.744 0.579 0.824 0.559 CB 1.260 35 residues pruned to eliminate duplicates Z: 8 7.503 1.734 0.693 0.536 0.857 0.429 CB 1.088 7 residues pruned to eliminate duplicates Z: 46 36.164 2.026 0.766 0.601 0.889 0.733 CA 1.540 46 residues pruned to eliminate duplicates Z: 7 9.134 1.530 0.756 0.858 1.000 0.833 CA 1.022 7 residues pruned to eliminate duplicates Z: 12 14.604 1.777 0.279 0.903 0.909 0.545 CB 1.519 12 residues pruned to eliminate duplicates Z: 47 37.937 2.006 0.802 0.620 0.935 0.652 CB 1.478 47 residues pruned to eliminate duplicates Z: 7 3.430 1.653 -0.297 0.506 1.000 0.667 CB 1.197 Z: 17 28.798 1.974 0.943 0.907 1.000 0.812 CB 1.335 17 residues pruned to eliminate duplicates Z: 6 2.781 1.666 0.010 0.629 1.000 0.800 CB 0.655 6 residues pruned to eliminate duplicates Z: 13 11.904 1.705 0.502 0.738 0.917 0.417 CB 1.182 13 residues pruned to eliminate duplicates Z: 11 9.203 1.572 0.386 0.875 1.000 0.600 CB 0.972 10 residues pruned to eliminate duplicates Z: 8 7.647 1.687 0.006 0.845 1.000 0.714 CA 1.267 6 residues pruned to eliminate duplicates Z: 9 24.208 2.225 0.702 0.854 1.000 0.750 CB 1.669 9 residues pruned to eliminate duplicates Z: 6 5.396 1.663 0.373 0.298 1.000 0.400 CB 1.324 6 residues pruned to eliminate duplicates Z: 25 43.030 2.107 0.910 0.966 0.958 0.833 CA 1.554 25 residues pruned to eliminate duplicates Z: 26 38.929 2.243 0.991 0.684 0.880 0.600 CA 1.674 26 residues pruned to eliminate duplicates Z: 21 23.495 1.715 0.676 0.911 0.950 0.700 CB 1.363 21 residues pruned to eliminate duplicates Z: 45 28.445 1.899 0.483 0.661 0.955 0.727 CB 1.374 88 residues pruned to eliminate duplicates Z: 16 30.222 2.075 0.804 0.923 1.000 0.867 CA 1.465 16 residues pruned to eliminate duplicates Z: 6 2.930 1.533 0.072 0.291 0.800 0.400 CB 1.261 Z: 11 8.807 1.959 0.352 0.341 0.900 0.500 CB 1.389 11 residues pruned to eliminate duplicates Z: 15 32.070 2.238 1.275 0.886 0.929 0.571 CB 1.308 15 residues pruned to eliminate duplicates Z: 63 49.137 2.051 0.878 0.714 0.903 0.597 CB 1.478 63 residues pruned to eliminate duplicates Z: 8 12.145 1.793 0.505 0.836 1.000 0.857 CB 1.273 8 residues pruned to eliminate duplicates Z: 10 12.638 1.707 0.451 0.888 1.000 0.889 CB 1.225 10 residues pruned to eliminate duplicates Z: 15 17.208 1.671 0.585 0.874 0.929 0.714 CB 1.362 15 residues pruned to eliminate duplicates Z: 29 65.151 2.363 1.188 0.927 0.964 0.714 CB 1.731 29 residues pruned to eliminate duplicates Z: 6 2.454 1.491 0.250 0.476 0.600 0.400 CB 1.005 Z: 10 12.604 1.585 0.605 0.890 1.000 0.889 CA 1.189 11 residues pruned to eliminate duplicates Z: 10 19.453 1.956 0.735 0.872 1.000 0.667 CB 1.393 10 residues pruned to eliminate duplicates Z: 18 26.194 1.875 0.821 0.887 0.941 0.824 CA 1.425 18 residues pruned to eliminate duplicates Z: 39 21.852 2.087 0.475 0.409 0.921 0.500 CB 1.374 39 residues pruned to eliminate duplicates Z: 45 30.367 1.982 0.633 0.568 0.909 0.659 CB 1.457 45 residues pruned to eliminate duplicates Z: 39 31.527 1.988 0.472 0.641 0.974 0.684 CB 1.573 39 residues pruned to eliminate duplicates Z: 49 43.322 2.027 0.657 0.690 0.979 0.729 CB 1.597 49 residues pruned to eliminate duplicates Z: 8 9.784 1.742 0.507 0.850 0.857 0.714 CB 1.217 8 residues pruned to eliminate duplicates Z: 59 58.220 2.294 0.963 0.704 0.897 0.569 CB 1.572 59 residues pruned to eliminate duplicates Z: 8 6.245 1.662 0.244 0.491 0.857 0.429 CB 1.344 Z: 59 38.358 2.141 0.665 0.528 0.966 0.500 CB 1.423 59 residues pruned to eliminate duplicates Z: 11 3.345 1.387 0.442 0.245 0.700 0.500 CA 1.014 11 residues pruned to eliminate duplicates Z: 19 25.943 1.898 1.105 0.822 0.944 0.722 CB 1.226 19 residues pruned to eliminate duplicates Z: 16 23.758 1.963 0.898 0.896 1.000 0.733 CB 1.180 16 residues pruned to eliminate duplicates Z: 9 9.960 1.725 0.202 0.871 1.000 0.500 CB 1.239 9 residues pruned to eliminate duplicates Z: 60 40.323 2.088 0.513 0.653 0.932 0.678 CB 1.547 60 residues pruned to eliminate duplicates Z: 17 26.662 1.996 0.720 0.911 1.000 0.562 CA 1.376 17 residues pruned to eliminate duplicates Z: 20 23.129 1.760 0.661 0.936 0.947 0.789 CB 1.333 Z: 15 12.281 1.733 0.504 0.605 0.929 0.714 CB 1.228 14 residues pruned to eliminate duplicates Z: 16 35.540 2.068 1.286 0.933 0.933 0.667 CB 1.452 16 residues pruned to eliminate duplicates Z: 9 7.291 1.379 0.215 0.873 1.000 0.875 O 1.121 9 residues pruned to eliminate duplicates Z: 27 13.638 1.982 0.217 0.409 0.885 0.577 CB 1.379 27 residues pruned to eliminate duplicates Z: 10 3.749 1.794 0.838 0.343 0.778 0.444 CB 0.577 Z: 7 4.118 1.661 0.103 0.556 0.833 0.667 CB 1.043 7 residues pruned to eliminate duplicates Z: 6 7.697 1.873 0.742 0.606 0.800 0.400 CA 1.192 6 residues pruned to eliminate duplicates Z: 8 9.504 1.625 0.824 0.647 0.857 0.714 CB 1.232 Z: 14 15.152 1.723 0.363 0.891 0.923 0.462 CA 1.393 Z: 31 22.085 1.866 0.494 0.687 0.900 0.633 CB 1.354 31 residues pruned to eliminate duplicates Z: 43 37.405 2.044 0.567 0.673 0.952 0.595 CB 1.614 43 residues pruned to eliminate duplicates Z: 6 6.827 1.806 0.825 0.698 0.800 0.800 N 0.966 Z: 13 16.951 1.733 0.349 0.914 1.000 0.667 CB 1.479 13 residues pruned to eliminate duplicates Z: 10 6.680 1.630 0.290 0.563 0.889 0.333 CB 1.121 Z: 15 15.100 2.023 0.566 0.635 0.857 0.643 CB 1.309 15 residues pruned to eliminate duplicates Z: 13 32.480 2.222 0.920 0.866 1.000 0.833 CA 1.608 13 residues pruned to eliminate duplicates Z: 12 18.611 1.690 0.730 0.917 1.000 0.545 CA 1.354 12 residues pruned to eliminate duplicates Z: 29 56.608 2.396 1.031 0.899 0.893 0.464 CB 1.759 29 residues pruned to eliminate duplicates Z: 62 42.527 2.258 0.656 0.547 0.852 0.590 CB 1.631 62 residues pruned to eliminate duplicates Z: 12 31.157 2.187 1.068 0.745 1.000 0.818 CA 1.668 12 residues pruned to eliminate duplicates Z: 49 36.936 2.143 0.635 0.516 0.938 0.667 CB 1.597 49 residues pruned to eliminate duplicates Z: 15 13.999 1.560 0.596 0.867 0.929 0.429 CB 1.184 15 residues pruned to eliminate duplicates Z: 9 9.037 1.688 0.500 0.800 0.875 0.750 CA 1.109 9 residues pruned to eliminate duplicates Z: 16 18.811 1.818 0.598 0.834 0.867 0.800 CA 1.445 16 residues pruned to eliminate duplicates Z: 9 13.483 1.914 0.493 0.720 0.875 0.750 C 1.564 9 residues pruned to eliminate duplicates Z: 7 5.638 1.744 0.527 0.617 0.667 0.500 CA 1.160 7 residues pruned to eliminate duplicates Z: 7 4.555 1.517 0.240 0.446 1.000 0.833 CA 1.045 Z: 17 36.332 2.373 0.890 0.865 0.938 0.875 CA 1.583 17 residues pruned to eliminate duplicates Z: 28 30.187 2.025 0.535 0.676 1.000 0.741 CB 1.589 48 residues pruned to eliminate duplicates Z: 14 36.092 2.209 0.925 0.900 1.000 0.769 N 1.681 14 residues pruned to eliminate duplicates Z: 39 54.228 2.205 1.022 0.709 0.947 0.526 CB 1.722 39 residues pruned to eliminate duplicates Z: 22 28.340 2.026 0.618 0.907 0.952 0.857 CA 1.408 22 residues pruned to eliminate duplicates Z: 7 9.431 1.665 0.717 0.720 1.000 0.500 CA 1.104 7 residues pruned to eliminate duplicates Z: 8 4.629 1.322 0.507 0.829 0.714 0.571 CA 0.925 8 residues pruned to eliminate duplicates Z: 44 26.224 2.086 0.550 0.447 0.907 0.419 CB 1.441 44 residues pruned to eliminate duplicates Z: 11 25.917 2.078 0.733 0.899 1.000 0.800 CA 1.627 11 residues pruned to eliminate duplicates Z: 27 42.822 2.086 0.929 0.917 0.962 0.692 CA 1.532 27 residues pruned to eliminate duplicates Z: 9 9.957 2.103 0.647 0.587 0.750 0.750 CB 1.247 9 residues pruned to eliminate duplicates Z: 21 33.787 1.900 0.823 0.938 1.000 0.500 CB 1.517 21 residues pruned to eliminate duplicates Z: 19 26.571 1.922 0.533 0.914 1.000 0.722 CB 1.503 19 residues pruned to eliminate duplicates Z: 7 2.656 1.650 0.309 0.392 0.833 0.500 CB 0.676 7 residues pruned to eliminate duplicates Z: 19 34.160 1.997 0.712 0.921 1.000 0.611 CB 1.657 19 residues pruned to eliminate duplicates Z: 44 32.452 2.089 0.675 0.617 0.907 0.651 CB 1.396 44 residues pruned to eliminate duplicates Z: 32 20.966 1.877 0.642 0.584 0.903 0.548 CB 1.247 31 residues pruned to eliminate duplicates Z: 11 14.740 1.930 0.411 0.836 0.900 0.900 CB 1.424 11 residues pruned to eliminate duplicates Z: 21 33.737 1.907 0.719 0.919 1.000 0.800 CB 1.622 21 residues pruned to eliminate duplicates Z: 19 21.214 1.989 0.975 0.688 0.833 0.444 CB 1.286 19 residues pruned to eliminate duplicates Z: 11 14.149 1.675 0.648 0.782 1.000 0.800 CB 1.265 11 residues pruned to eliminate duplicates Z: 57 39.978 2.073 0.504 0.656 0.946 0.696 CB 1.566 57 residues pruned to eliminate duplicates Z: 16 8.422 1.926 0.350 0.246 0.933 0.467 CB 1.201 16 residues pruned to eliminate duplicates Z: 17 36.582 2.091 0.902 0.817 0.938 0.625 CB 1.863 17 residues pruned to eliminate duplicates Z: 44 38.462 1.926 0.714 0.806 0.953 0.767 CA 1.426 44 residues pruned to eliminate duplicates Z: 8 3.847 1.323 0.689 0.342 0.714 0.429 CB 1.082 Z: 7 8.832 1.745 0.851 0.723 1.000 0.833 CB 0.913 6 residues pruned to eliminate duplicates Z: 59 73.448 2.284 1.009 0.768 0.931 0.621 CA 1.780 59 residues pruned to eliminate duplicates Z: 19 24.073 1.731 0.813 0.914 0.944 0.611 CB 1.354 Z: 7 11.318 1.494 1.255 0.809 1.000 0.667 CB 1.048 7 residues pruned to eliminate duplicates Z: 21 29.386 1.924 0.703 0.856 0.950 0.600 CB 1.557 21 residues pruned to eliminate duplicates Z: 11 23.767 1.973 0.967 0.925 1.000 0.500 CB 1.358 11 residues pruned to eliminate duplicates Z: 20 25.948 2.120 0.931 0.717 0.895 0.789 CB 1.335 20 residues pruned to eliminate duplicates Z: 21 13.407 1.926 0.628 0.333 0.900 0.500 CB 1.275 21 residues pruned to eliminate duplicates Z: 29 33.172 1.988 0.785 0.864 0.929 0.786 CA 1.395 29 residues pruned to eliminate duplicates Z: 8 4.505 1.690 0.298 0.395 0.714 0.429 CB 1.215 Z: 44 44.636 2.064 0.988 0.711 0.930 0.628 CB 1.472 44 residues pruned to eliminate duplicates Z: 11 13.229 2.005 0.666 0.388 0.900 0.600 CA 1.566 11 residues pruned to eliminate duplicates Z: 15 16.297 1.652 0.605 0.806 0.929 0.571 CA 1.354 15 residues pruned to eliminate duplicates Z: 10 8.584 1.672 0.853 0.711 0.889 0.778 CB 0.858 9 residues pruned to eliminate duplicates Z: 16 14.080 1.594 0.526 0.802 0.933 0.733 CA 1.229 16 residues pruned to eliminate duplicates Z: 79 44.820 2.188 0.638 0.469 0.910 0.526 CB 1.604 79 residues pruned to eliminate duplicates Z: 46 72.912 2.298 1.022 0.814 0.978 0.644 CA 1.822 46 residues pruned to eliminate duplicates Z: 54 35.960 2.062 0.728 0.608 0.868 0.585 CB 1.442 54 residues pruned to eliminate duplicates Z: 14 8.732 1.895 0.543 0.436 0.769 0.615 CB 1.151 14 residues pruned to eliminate duplicates Z: 16 33.478 2.205 1.098 0.937 1.000 0.933 CB 1.300 16 residues pruned to eliminate duplicates Z: 6 3.936 1.619 0.738 0.431 0.600 0.400 CB 1.120 Z: 18 34.841 2.017 0.854 0.915 1.000 0.529 CB 1.597 18 residues pruned to eliminate duplicates Z: 23 28.431 2.022 0.803 0.707 0.909 0.773 CA 1.516 23 residues pruned to eliminate duplicates Z: 40 35.743 2.087 0.736 0.680 0.949 0.564 CB 1.411 42 residues pruned to eliminate duplicates Z: 6 4.077 2.056 0.473 0.530 0.400 0.200 CB 1.462 6 residues pruned to eliminate duplicates Z: 10 4.677 1.372 0.520 0.806 0.889 0.889 CB 0.644 Z: 80 43.526 2.033 0.703 0.642 0.848 0.633 CA 1.460 80 residues pruned to eliminate duplicates Z: 9 24.826 2.177 0.775 0.834 1.000 0.875 CA 1.704 9 residues pruned to eliminate duplicates Z: 9 8.542 1.383 0.407 0.912 1.000 0.875 CA 1.099 9 residues pruned to eliminate duplicates Z: 10 7.639 1.667 0.576 0.531 0.889 0.667 CB 1.058 10 residues pruned to eliminate duplicates Z: 22 10.319 1.809 0.429 0.272 0.857 0.524 CB 1.316 22 residues pruned to eliminate duplicates Z: 16 17.533 2.109 0.397 0.534 1.000 0.800 CB 1.485 16 residues pruned to eliminate duplicates Z: 14 12.372 1.704 0.274 0.905 0.846 0.615 CA 1.331 14 residues pruned to eliminate duplicates Z: 34 20.599 1.875 0.795 0.496 0.879 0.515 CB 1.218 34 residues pruned to eliminate duplicates Z: 9 14.292 2.047 0.501 0.592 1.000 0.750 CB 1.507 6 1.344 1.296 0.542 0.291 0.800 0.400 N 0.475 ? Z: 18 22.921 1.890 0.595 0.875 1.000 0.882 CB 1.341 18 residues pruned to eliminate duplicates Z: 7 3.507 1.472 0.502 0.357 0.667 0.333 CB 1.133 Z: 23 17.021 1.931 0.671 0.580 0.727 0.636 CB 1.431 23 residues pruned to eliminate duplicates Z: 8 2.661 1.424 0.643 0.345 0.571 0.286 CB 0.890 8 residues pruned to eliminate duplicates Z: 53 53.374 2.094 0.752 0.737 1.000 0.808 CB 1.630 53 residues pruned to eliminate duplicates Z: 34 19.318 1.760 0.650 0.658 0.818 0.455 CB 1.222 34 residues pruned to eliminate duplicates Z: 13 10.430 1.748 0.878 0.475 0.750 0.583 CA 1.255 13 residues pruned to eliminate duplicates Z: 13 14.176 1.765 0.585 0.787 0.917 0.583 CA 1.241 13 residues pruned to eliminate duplicates Z: 29 12.828 1.722 0.424 0.457 0.893 0.679 CB 1.157 29 residues pruned to eliminate duplicates Z: 6 2.184 1.530 -0.085 0.502 0.800 0.400 N 0.871 Z: 8 2.549 1.427 0.519 0.469 0.714 0.571 CB 0.643 Z: 17 35.007 2.127 0.867 0.793 1.000 0.688 CA 1.705 17 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 11.976 1.923 0.477 0.502 0.800 0.467 CB 1.358 17 residues pruned to eliminate duplicates Z: 11 22.340 1.976 0.742 0.908 1.000 1.000 CB 1.457 11 residues pruned to eliminate duplicates Z: 13 14.101 1.978 0.777 0.613 0.833 0.500 CB 1.249 13 residues pruned to eliminate duplicates Z: 17 16.607 1.922 0.736 0.629 0.938 0.438 CB 1.177 17 residues pruned to eliminate duplicates Z: 17 15.748 1.916 0.842 0.519 0.812 0.312 CB 1.347 17 residues pruned to eliminate duplicates Z: 16 18.255 1.958 0.971 0.572 0.933 0.467 CB 1.221 16 residues pruned to eliminate duplicates Z: 17 17.632 1.910 1.094 0.579 0.812 0.438 CB 1.257 17 residues pruned to eliminate duplicates Z: 17 13.060 1.880 0.685 0.535 0.750 0.312 CB 1.327 17 residues pruned to eliminate duplicates Z: 7 8.003 1.693 0.927 0.546 0.833 0.500 CB 1.149 7 residues pruned to eliminate duplicates Z: 9 12.662 1.826 0.547 0.676 1.000 0.875 CB 1.348 9 residues pruned to eliminate duplicates Z: 32 21.878 1.940 0.724 0.635 0.935 0.613 CB 1.107 32 residues pruned to eliminate duplicates Z: 7 4.099 1.800 0.298 0.529 1.000 0.833 CB 0.696 Z: 7 8.194 1.503 0.487 0.878 0.833 0.500 CB 1.303 7 residues pruned to eliminate duplicates Z: 12 5.625 1.599 0.208 0.398 0.909 0.636 CB 1.076 12 residues pruned to eliminate duplicates Z: 9 3.443 1.554 0.246 0.309 0.625 0.375 CB 1.244 9 residues pruned to eliminate duplicates Z: 15 8.279 1.641 0.346 0.437 0.929 0.429 CB 1.151 22 residues pruned to eliminate duplicates Z: 12 8.456 1.457 0.412 0.673 1.000 0.455 CB 1.057 14 residues pruned to eliminate duplicates Z: 6 3.725 1.477 0.843 0.476 1.000 0.600 CB 0.627 6 residues pruned to eliminate duplicates Z: 30 16.664 1.899 0.628 0.563 0.828 0.483 CB 1.138 30 residues pruned to eliminate duplicates Z: 25 13.167 1.964 0.520 0.382 0.875 0.375 CB 1.167 25 residues pruned to eliminate duplicates Z: 29 15.882 1.832 0.492 0.467 0.893 0.393 CB 1.272 29 residues pruned to eliminate duplicates Z: 20 13.644 1.879 0.509 0.544 0.842 0.579 CB 1.255 20 residues pruned to eliminate duplicates Z: 13 16.645 1.989 0.551 0.532 1.000 0.417 CB 1.509 13 residues pruned to eliminate duplicates Z: 23 17.449 1.923 0.595 0.576 0.864 0.545 CB 1.305 23 residues pruned to eliminate duplicates Z: 16 14.086 1.951 0.714 0.430 0.800 0.333 CB 1.462 16 residues pruned to eliminate duplicates Z: 28 14.791 1.848 0.440 0.435 0.852 0.444 CB 1.344 28 residues pruned to eliminate duplicates Z: 23 14.913 1.932 0.618 0.435 0.818 0.500 CB 1.329 23 residues pruned to eliminate duplicates Z: 10 20.359 2.139 0.676 0.707 1.000 0.444 CB 1.569 10 residues pruned to eliminate duplicates Z: 31 20.003 1.894 0.631 0.582 0.933 0.400 CB 1.172 31 residues pruned to eliminate duplicates Z: 27 21.114 1.913 0.727 0.553 0.846 0.577 CB 1.408 27 residues pruned to eliminate duplicates Z: 24 18.293 1.985 0.426 0.610 0.913 0.696 CB 1.330 24 residues pruned to eliminate duplicates Z: 30 19.923 1.932 0.598 0.600 0.897 0.517 CB 1.215 30 residues pruned to eliminate duplicates Z: 24 19.608 1.985 0.651 0.624 0.870 0.478 CB 1.276 24 residues pruned to eliminate duplicates Z: 34 23.784 1.898 0.526 0.580 0.970 0.515 CB 1.365 34 residues pruned to eliminate duplicates Z: 37 26.527 1.857 0.710 0.602 0.972 0.500 CB 1.300 37 residues pruned to eliminate duplicates Z: 25 22.639 1.928 0.593 0.635 1.000 0.542 CB 1.326 25 residues pruned to eliminate duplicates Z: 44 19.496 1.795 0.535 0.508 0.860 0.465 CB 1.244 44 residues pruned to eliminate duplicates Z: 31 21.039 1.932 0.621 0.587 0.900 0.533 CB 1.253 31 residues pruned to eliminate duplicates Z: 24 23.063 1.999 0.646 0.655 0.957 0.652 CB 1.323 24 residues pruned to eliminate duplicates Z: 31 22.136 1.932 0.729 0.605 0.967 0.567 CB 1.133 31 residues pruned to eliminate duplicates Z: 31 21.224 1.944 0.568 0.591 0.933 0.567 CB 1.248 31 residues pruned to eliminate duplicates Z: 22 22.969 1.966 0.775 0.671 0.952 0.524 CB 1.288 22 residues pruned to eliminate duplicates Z: 15 12.512 1.782 0.499 0.581 0.929 0.714 CB 1.248 15 residues pruned to eliminate duplicates Z: 14 12.977 1.808 0.511 0.574 1.000 0.769 CB 1.227 14 residues pruned to eliminate duplicates Z: 14 12.639 1.830 0.465 0.623 0.923 0.769 CB 1.262 15 residues pruned to eliminate duplicates Z: 10 12.915 1.630 0.833 0.873 1.000 0.889 CB 1.049 10 residues pruned to eliminate duplicates Z: 11 10.727 1.735 0.566 0.616 0.900 0.700 CB 1.242 11 residues pruned to eliminate duplicates Z: 14 12.235 1.822 0.637 0.580 0.923 0.538 CB 1.141 14 residues pruned to eliminate duplicates Z: 14 11.518 1.848 0.617 0.568 0.846 0.846 CB 1.183 14 residues pruned to eliminate duplicates Z: 15 10.352 1.768 0.322 0.590 0.929 0.714 CB 1.169 15 residues pruned to eliminate duplicates Z: 14 13.054 1.859 0.463 0.634 0.923 0.846 CB 1.272 14 residues pruned to eliminate duplicates Z: 6 3.725 1.511 0.589 0.305 0.800 0.600 CB 1.078 6 residues pruned to eliminate duplicates Z: 14 11.595 1.817 0.543 0.580 1.000 0.846 CB 1.062 14 residues pruned to eliminate duplicates Z: 13 12.367 1.878 0.439 0.638 0.917 0.917 CB 1.267 13 residues pruned to eliminate duplicates Z: 13 4.752 1.663 0.258 0.265 0.750 0.167 CB 1.143 Z: 10 9.508 1.645 0.462 0.833 0.778 0.778 CB 1.271 10 residues pruned to eliminate duplicates Z: 12 10.407 1.556 0.604 0.713 0.909 0.545 CB 1.140 10 residues pruned to eliminate duplicates Z: 10 8.240 1.564 0.273 0.830 1.000 0.667 CB 1.038 10 residues pruned to eliminate duplicates Z: 10 10.008 1.618 0.619 0.760 0.889 0.556 CB 1.136 10 residues pruned to eliminate duplicates Z: 10 11.386 1.642 0.864 0.749 0.778 0.444 CB 1.277 10 residues pruned to eliminate duplicates Z: 9 12.325 1.770 0.912 0.853 0.750 0.500 CB 1.269 9 residues pruned to eliminate duplicates Z: 10 10.816 1.683 0.733 0.719 0.889 0.444 CB 1.140 10 residues pruned to eliminate duplicates Z: 11 12.359 1.618 0.866 0.719 0.900 0.400 CB 1.180 10 residues pruned to eliminate duplicates Z: 6 2.748 1.475 0.279 0.265 1.000 0.400 N 0.851 6 residues pruned to eliminate duplicates Z: 40 31.854 2.048 0.720 0.659 0.923 0.667 CB 1.353 41 residues pruned to eliminate duplicates Z: 18 25.202 2.154 0.579 0.839 1.000 0.765 CB 1.342 18 residues pruned to eliminate duplicates Z: 39 29.328 2.092 0.598 0.692 0.868 0.579 CB 1.374 39 residues pruned to eliminate duplicates Z: 30 29.646 2.088 0.809 0.656 0.966 0.655 CB 1.306 30 residues pruned to eliminate duplicates Z: 39 28.095 2.100 0.624 0.629 0.868 0.526 CB 1.363 39 residues pruned to eliminate duplicates Z: 41 32.718 2.099 0.695 0.626 0.925 0.625 CB 1.396 41 residues pruned to eliminate duplicates Z: 39 36.967 2.100 0.829 0.694 0.947 0.579 CB 1.380 39 residues pruned to eliminate duplicates Z: 18 26.916 2.031 1.035 0.917 1.000 0.706 CB 1.115 18 residues pruned to eliminate duplicates Z: 113 83.137 2.228 0.915 0.721 0.938 0.527 CB 1.608 111 residues pruned to eliminate duplicates Z: 17 28.925 2.107 1.027 0.898 1.000 0.750 CB 1.211 17 residues pruned to eliminate duplicates Z: 39 35.075 2.142 0.791 0.674 0.895 0.632 CB 1.412 39 residues pruned to eliminate duplicates Z: 38 41.194 2.132 0.890 0.699 0.973 0.595 CB 1.441 39 residues pruned to eliminate duplicates Z: 17 35.935 2.158 1.311 0.928 1.000 0.688 CB 1.261 17 residues pruned to eliminate duplicates Z: 38 34.146 2.132 0.732 0.656 0.892 0.568 CB 1.474 38 residues pruned to eliminate duplicates Z: 39 33.744 2.084 0.821 0.656 0.921 0.553 CB 1.355 39 residues pruned to eliminate duplicates Z: 100 79.488 2.238 0.954 0.708 0.929 0.586 CB 1.627 100 residues pruned to eliminate duplicates Z: 140 92.810 2.177 0.915 0.732 0.957 0.683 CB 1.601 140 residues pruned to eliminate duplicates Z: 39 33.359 2.091 0.673 0.644 0.947 0.500 CB 1.427 39 residues pruned to eliminate duplicates Z: 39 38.403 2.117 0.841 0.702 0.947 0.579 CB 1.403 39 residues pruned to eliminate duplicates Z: 37 34.600 2.084 0.811 0.705 0.889 0.528 CB 1.427 37 residues pruned to eliminate duplicates Z: 39 33.165 2.072 0.720 0.678 0.921 0.579 CB 1.391 39 residues pruned to eliminate duplicates Z: 38 39.392 2.134 0.906 0.718 0.946 0.622 CB 1.382 38 residues pruned to eliminate duplicates Z: 37 27.524 2.056 0.718 0.571 0.917 0.444 CB 1.322 37 residues pruned to eliminate duplicates Z: 39 35.331 2.101 0.825 0.680 0.921 0.632 CB 1.376 39 residues pruned to eliminate duplicates Z: 39 34.688 2.085 0.764 0.680 0.921 0.526 CB 1.408 39 residues pruned to eliminate duplicates Z: 39 33.894 2.105 0.749 0.703 0.895 0.526 CB 1.387 39 residues pruned to eliminate duplicates Z: 39 37.204 2.122 0.879 0.698 0.921 0.474 CB 1.372 39 residues pruned to eliminate duplicates Z: 39 35.104 2.113 0.788 0.694 0.921 0.553 CB 1.370 39 residues pruned to eliminate duplicates Z: 39 33.739 2.068 0.842 0.655 0.947 0.447 CB 1.312 39 residues pruned to eliminate duplicates Z: 18 16.093 1.960 0.743 0.507 0.824 0.471 CB 1.378 18 residues pruned to eliminate duplicates Z: 59 61.368 2.275 0.932 0.715 0.931 0.724 CB 1.620 59 residues pruned to eliminate duplicates Z: 61 63.152 2.293 0.896 0.746 0.883 0.617 CB 1.704 61 residues pruned to eliminate duplicates Z: 40 33.251 2.070 0.716 0.679 0.923 0.564 CB 1.377 40 residues pruned to eliminate duplicates Z: 80 73.975 2.288 0.882 0.757 0.975 0.646 CB 1.578 80 residues pruned to eliminate duplicates Z: 86 69.721 2.224 0.887 0.726 0.953 0.671 CB 1.542 86 residues pruned to eliminate duplicates Z: 40 72.334 2.414 1.044 0.830 1.000 0.744 CB 1.766 40 residues pruned to eliminate duplicates Z: 61 79.306 2.352 0.988 0.782 0.950 0.650 CA 1.798 61 residues pruned to eliminate duplicates Z: 60 81.840 2.359 1.023 0.790 0.966 0.627 CB 1.791 60 residues pruned to eliminate duplicates Z: 48 67.650 2.328 1.024 0.782 0.957 0.681 CB 1.706 48 residues pruned to eliminate duplicates Z: 63 78.182 2.305 0.981 0.778 0.968 0.629 CA 1.759 63 residues pruned to eliminate duplicates Z: 47 68.584 2.360 0.956 0.815 0.935 0.609 CB 1.781 47 residues pruned to eliminate duplicates Z: 63 84.594 2.345 1.123 0.767 0.968 0.661 CB 1.760 63 residues pruned to eliminate duplicates Z: 19 26.450 2.228 0.907 0.710 0.889 0.611 CB 1.363 19 residues pruned to eliminate duplicates Z: 64 77.602 2.298 0.980 0.785 0.968 0.603 CB 1.728 64 residues pruned to eliminate duplicates Z: 63 81.314 2.326 0.968 0.789 0.984 0.645 CA 1.780 63 residues pruned to eliminate duplicates Z: 73 74.977 2.301 1.024 0.720 0.917 0.681 CB 1.697 73 residues pruned to eliminate duplicates Z: 62 78.962 2.322 0.994 0.765 0.967 0.721 CB 1.784 62 residues pruned to eliminate duplicates Z: 63 82.532 2.315 1.041 0.774 0.984 0.645 CA 1.769 63 residues pruned to eliminate duplicates Z: 104 72.186 2.130 0.821 0.701 0.942 0.709 CB 1.622 104 residues pruned to eliminate duplicates Z: 44 73.441 2.439 1.046 0.803 0.953 0.721 CB 1.807 44 residues pruned to eliminate duplicates Z: 67 77.195 2.281 1.022 0.737 0.955 0.682 CB 1.746 67 residues pruned to eliminate duplicates Z: 64 76.653 2.273 0.981 0.769 0.952 0.746 CA 1.774 64 residues pruned to eliminate duplicates Z: 62 80.880 2.298 1.069 0.801 0.934 0.639 CB 1.792 62 residues pruned to eliminate duplicates Z: 63 84.077 2.323 1.125 0.778 0.968 0.645 CB 1.748 63 residues pruned to eliminate duplicates Z: 44 75.849 2.430 1.166 0.803 0.953 0.651 CB 1.768 44 residues pruned to eliminate duplicates Z: 78 71.494 2.242 0.910 0.749 0.948 0.597 CB 1.606 78 residues pruned to eliminate duplicates Z: 77 76.378 2.263 0.955 0.775 0.921 0.618 CB 1.687 77 residues pruned to eliminate duplicates Z: 99 72.711 2.152 0.824 0.692 0.949 0.561 CB 1.654 99 residues pruned to eliminate duplicates Z: 45 74.688 2.375 1.051 0.834 1.000 0.455 CB 1.734 45 residues pruned to eliminate duplicates Z: 63 78.893 2.319 0.984 0.776 0.984 0.484 CB 1.734 63 residues pruned to eliminate duplicates Z: 33 46.507 2.265 0.973 0.766 0.906 0.500 CB 1.603 33 residues pruned to eliminate duplicates Z: 66 77.615 2.258 1.056 0.747 0.954 0.538 CB 1.743 66 residues pruned to eliminate duplicates Z: 77 73.725 2.274 0.952 0.728 0.908 0.513 CB 1.708 77 residues pruned to eliminate duplicates Z: 49 64.970 2.313 0.911 0.779 0.979 0.688 CB 1.693 49 residues pruned to eliminate duplicates Z: 62 85.440 2.331 1.104 0.778 0.967 0.574 CB 1.804 62 residues pruned to eliminate duplicates Z: 28 68.939 2.465 1.088 0.913 0.963 0.667 CB 1.894 28 residues pruned to eliminate duplicates Z: 45 71.664 2.363 1.052 0.826 1.000 0.591 CB 1.681 45 residues pruned to eliminate duplicates Z: 69 69.174 2.214 0.992 0.709 0.926 0.515 CB 1.698 69 residues pruned to eliminate duplicates Z: 43 79.469 2.435 1.129 0.865 0.976 0.571 CB 1.775 43 residues pruned to eliminate duplicates Z: 45 70.600 2.395 1.128 0.819 0.955 0.727 CB 1.659 45 residues pruned to eliminate duplicates Z: 62 83.113 2.310 1.086 0.796 0.951 0.590 CB 1.791 62 residues pruned to eliminate duplicates Z: 61 81.152 2.333 0.992 0.795 0.983 0.600 CB 1.770 61 residues pruned to eliminate duplicates Z: 78 77.254 2.232 0.990 0.761 0.961 0.571 CB 1.634 78 residues pruned to eliminate duplicates Z: 61 84.751 2.330 1.050 0.801 0.983 0.433 CB 1.790 61 residues pruned to eliminate duplicates Z: 65 77.555 2.286 0.968 0.757 0.969 0.562 CB 1.770 65 residues pruned to eliminate duplicates Z: 46 74.004 2.331 1.070 0.806 0.956 0.511 CB 1.833 46 residues pruned to eliminate duplicates Z: 63 80.783 2.308 1.066 0.768 0.968 0.484 CB 1.753 63 residues pruned to eliminate duplicates Z: 62 82.666 2.328 1.069 0.783 0.984 0.475 CB 1.741 62 residues pruned to eliminate duplicates Z: 61 85.659 2.338 1.180 0.769 0.967 0.517 CB 1.768 61 residues pruned to eliminate duplicates Z: 66 70.876 2.267 0.993 0.725 0.938 0.477 CB 1.692 66 residues pruned to eliminate duplicates Z: 64 75.870 2.301 1.119 0.736 0.921 0.413 CB 1.723 64 residues pruned to eliminate duplicates Z: 65 71.629 2.269 0.992 0.750 0.922 0.531 CB 1.719 65 residues pruned to eliminate duplicates Z: 63 70.518 2.302 1.058 0.746 0.887 0.435 CB 1.710 63 residues pruned to eliminate duplicates Z: 64 74.565 2.302 1.031 0.763 0.921 0.444 CB 1.728 64 residues pruned to eliminate duplicates Z: 73 78.188 2.277 1.076 0.749 0.917 0.611 CB 1.703 73 residues pruned to eliminate duplicates Z: 65 69.514 2.287 1.063 0.730 0.906 0.453 CB 1.653 65 residues pruned to eliminate duplicates Z: 63 77.159 2.313 1.079 0.751 0.952 0.500 CB 1.711 63 residues pruned to eliminate duplicates Z: 63 78.595 2.316 1.128 0.756 0.935 0.452 CB 1.723 63 residues pruned to eliminate duplicates Z: 62 76.536 2.341 1.118 0.777 0.885 0.508 CB 1.748 62 residues pruned to eliminate duplicates Z: 61 78.875 2.335 1.037 0.796 0.933 0.550 CB 1.770 61 residues pruned to eliminate duplicates Z: 63 81.831 2.313 1.149 0.752 0.952 0.516 CB 1.755 63 residues pruned to eliminate duplicates Z: 61 83.563 2.332 1.116 0.785 0.967 0.450 CB 1.760 61 residues pruned to eliminate duplicates Z: 77 78.391 2.254 0.951 0.762 0.961 0.526 CB 1.686 77 residues pruned to eliminate duplicates Z: 116 83.682 2.198 0.865 0.712 0.939 0.609 CB 1.673 116 residues pruned to eliminate duplicates Z: 76 77.918 2.257 1.023 0.730 0.933 0.480 CB 1.717 76 residues pruned to eliminate duplicates Z: 84 62.408 2.136 0.916 0.689 0.904 0.518 CB 1.559 84 residues pruned to eliminate duplicates Z: 18 16.101 1.846 0.643 0.689 0.941 0.765 CB 1.151 18 residues pruned to eliminate duplicates Z: 72 71.123 2.261 1.043 0.710 0.915 0.493 CB 1.649 72 residues pruned to eliminate duplicates Z: 13 20.214 2.025 0.688 0.798 0.917 0.750 CB 1.434 13 residues pruned to eliminate duplicates Z: 17 12.462 1.857 0.685 0.435 0.812 0.500 CA 1.311 17 residues pruned to eliminate duplicates Z: 90 64.481 2.119 0.922 0.692 0.899 0.528 CB 1.567 90 residues pruned to eliminate duplicates Z: 70 72.002 2.263 0.998 0.739 0.942 0.464 CB 1.642 70 residues pruned to eliminate duplicates Z: 83 65.317 2.176 0.871 0.716 0.939 0.476 CB 1.553 83 residues pruned to eliminate duplicates Z: 60 72.236 2.264 1.091 0.765 0.932 0.424 CB 1.685 60 residues pruned to eliminate duplicates Z: 22 15.467 1.782 0.695 0.680 0.857 0.667 CB 1.105 22 residues pruned to eliminate duplicates Z: 21 14.065 1.803 0.626 0.611 0.850 0.700 CB 1.135 21 residues pruned to eliminate duplicates Z: 118 77.817 2.168 0.898 0.680 0.940 0.624 CB 1.576 118 residues pruned to eliminate duplicates Z: 58 39.138 2.016 0.709 0.608 0.895 0.649 CB 1.518 58 residues pruned to eliminate duplicates Z: 15 4.916 1.528 0.326 0.188 0.786 0.429 CB 1.200 15 residues pruned to eliminate duplicates Z: 45 30.363 1.998 0.604 0.545 0.886 0.659 CA 1.543 45 residues pruned to eliminate duplicates Z: 46 28.450 1.966 0.565 0.532 0.889 0.667 CA 1.502 46 residues pruned to eliminate duplicates Z: 29 28.860 1.973 0.750 0.640 0.893 0.714 CB 1.551 29 residues pruned to eliminate duplicates Z: 26 29.027 2.000 0.663 0.678 0.960 0.760 CA 1.544 26 residues pruned to eliminate duplicates Z: 30 30.623 1.929 0.814 0.613 0.931 0.655 CA 1.568 30 residues pruned to eliminate duplicates Z: 50 29.875 1.998 0.568 0.551 0.837 0.633 CA 1.550 50 residues pruned to eliminate duplicates Z: 29 30.754 1.955 0.769 0.661 0.929 0.750 CA 1.558 29 residues pruned to eliminate duplicates Z: 32 29.553 2.037 0.618 0.593 0.935 0.645 CB 1.575 32 residues pruned to eliminate duplicates Z: 41 38.759 2.108 0.681 0.638 0.950 0.700 CA 1.599 41 residues pruned to eliminate duplicates Z: 57 44.931 2.033 0.760 0.660 0.946 0.714 CA 1.528 57 residues pruned to eliminate duplicates Z: 41 35.787 1.963 0.723 0.705 0.925 0.725 CB 1.500 41 residues pruned to eliminate duplicates Z: 41 33.038 2.091 0.552 0.631 0.925 0.800 CA 1.538 41 residues pruned to eliminate duplicates Z: 27 29.783 1.980 0.833 0.676 0.846 0.692 CA 1.618 27 residues pruned to eliminate duplicates Z: 40 38.284 2.128 0.654 0.644 0.974 0.821 CA 1.562 40 residues pruned to eliminate duplicates Z: 25 34.340 2.025 0.904 0.737 0.917 0.833 CA 1.603 25 residues pruned to eliminate duplicates Z: 100 77.751 2.163 0.984 0.719 0.929 0.515 CB 1.608 100 residues pruned to eliminate duplicates Z: 27 29.940 1.987 0.754 0.668 0.923 0.654 CA 1.563 27 residues pruned to eliminate duplicates Z: 29 33.139 1.975 0.877 0.667 0.929 0.643 CB 1.559 29 residues pruned to eliminate duplicates Z: 25 34.735 2.034 0.968 0.707 0.958 0.750 CA 1.532 25 residues pruned to eliminate duplicates Z: 26 33.566 2.003 0.933 0.672 0.920 0.640 CA 1.608 26 residues pruned to eliminate duplicates Z: 96 79.272 2.181 1.051 0.710 0.916 0.474 CB 1.641 96 residues pruned to eliminate duplicates Z: 88 54.490 2.051 0.733 0.617 0.908 0.644 CA 1.621 88 residues pruned to eliminate duplicates Z: 26 29.087 1.961 0.864 0.694 0.880 0.760 CA 1.515 26 residues pruned to eliminate duplicates Z: 41 36.312 2.098 0.669 0.628 0.925 0.650 CA 1.572 41 residues pruned to eliminate duplicates Z: 42 36.642 2.060 0.682 0.640 0.927 0.683 CA 1.563 42 residues pruned to eliminate duplicates Z: 45 37.071 2.054 0.718 0.596 0.932 0.614 CA 1.550 45 residues pruned to eliminate duplicates Z: 43 35.436 2.007 0.718 0.596 0.929 0.548 CA 1.558 43 residues pruned to eliminate duplicates Z: 18 15.995 2.034 0.373 0.515 0.941 0.647 CA 1.455 18 residues pruned to eliminate duplicates Z: 19 15.860 2.048 0.418 0.508 0.889 0.611 CB 1.437 19 residues pruned to eliminate duplicates Z: 18 17.879 2.112 0.512 0.525 0.882 0.647 CB 1.501 18 residues pruned to eliminate duplicates Z: 19 15.422 2.033 0.434 0.503 0.889 0.722 CB 1.399 19 residues pruned to eliminate duplicates Z: 18 15.929 2.075 0.436 0.487 0.882 0.588 CB 1.488 18 residues pruned to eliminate duplicates Z: 18 16.963 2.113 0.407 0.527 0.882 0.647 CB 1.527 18 residues pruned to eliminate duplicates Z: 17 18.242 2.153 0.415 0.503 1.000 0.688 CA 1.493 17 residues pruned to eliminate duplicates Z: 45 30.984 2.007 0.731 0.538 0.841 0.523 CB 1.539 45 residues pruned to eliminate duplicates Z: 18 16.445 2.099 0.381 0.552 0.882 0.706 CB 1.482 18 residues pruned to eliminate duplicates Z: 17 16.041 2.198 0.338 0.517 0.875 0.562 CB 1.532 17 residues pruned to eliminate duplicates Z: 19 14.542 2.092 0.579 0.432 0.778 0.556 CA 1.432 19 residues pruned to eliminate duplicates Z: 118 78.591 2.149 0.922 0.680 0.923 0.564 CB 1.615 118 residues pruned to eliminate duplicates Z: 17 19.610 2.181 0.460 0.569 0.938 0.875 CA 1.536 17 residues pruned to eliminate duplicates Z: 25 18.064 1.841 0.352 0.594 0.917 0.667 CB 1.477 25 residues pruned to eliminate duplicates Z: 14 13.466 1.694 0.221 0.907 0.923 0.769 CA 1.390 14 residues pruned to eliminate duplicates Z: 24 19.873 1.872 0.439 0.585 0.913 0.609 CA 1.552 23 residues pruned to eliminate duplicates Z: 13 15.198 1.745 0.282 0.906 0.917 0.667 CA 1.521 13 residues pruned to eliminate duplicates Z: 23 16.218 1.841 0.320 0.589 0.909 0.591 CB 1.438 23 residues pruned to eliminate duplicates Z: 22 15.335 1.864 0.308 0.608 0.857 0.571 CB 1.446 22 residues pruned to eliminate duplicates Z: 22 14.331 1.874 0.156 0.594 0.857 0.619 CB 1.540 22 residues pruned to eliminate duplicates Z: 16 13.476 1.621 0.348 0.763 0.933 0.533 CA 1.350 16 residues pruned to eliminate duplicates Z: 21 15.338 1.896 0.139 0.615 0.950 0.600 CB 1.500 21 residues pruned to eliminate duplicates Z: 23 17.793 1.871 0.318 0.612 1.000 0.591 CB 1.384 24 residues pruned to eliminate duplicates Z: 12 12.095 1.687 0.252 0.872 0.909 0.727 CA 1.384 12 residues pruned to eliminate duplicates Z: 24 17.807 1.864 0.309 0.612 0.913 0.609 CB 1.498 24 residues pruned to eliminate duplicates Z: 25 20.652 1.910 0.423 0.581 0.917 0.583 CB 1.566 23 residues pruned to eliminate duplicates Z: 6 4.470 1.786 0.756 0.313 0.800 0.400 CA 0.980 6 residues pruned to eliminate duplicates Z: 11 10.852 1.998 0.368 0.505 1.000 0.700 CB 1.249 12 residues pruned to eliminate duplicates Z: 8 4.973 1.817 0.546 0.440 0.571 0.143 CA 1.245 9 residues pruned to eliminate duplicates Z: 8 6.607 1.610 0.799 0.527 0.714 0.429 CA 1.176 8 residues pruned to eliminate duplicates Z: 8 10.093 1.625 0.798 0.842 0.857 0.571 CA 1.135 8 residues pruned to eliminate duplicates Z: 8 9.720 1.822 1.059 0.683 0.714 0.429 CA 1.158 8 residues pruned to eliminate duplicates Z: 32 22.676 1.942 0.778 0.587 0.839 0.452 CB 1.293 32 residues pruned to eliminate duplicates Z: 31 25.502 1.954 0.789 0.597 0.933 0.600 CA 1.301 31 residues pruned to eliminate duplicates Z: 23 18.568 1.927 0.623 0.554 0.818 0.591 CA 1.467 23 residues pruned to eliminate duplicates Z: 34 19.474 2.017 0.507 0.474 0.788 0.576 CB 1.454 34 residues pruned to eliminate duplicates Z: 15 16.930 2.067 0.596 0.614 0.786 0.643 CA 1.567 15 residues pruned to eliminate duplicates Z: 42 31.454 2.109 0.696 0.589 0.854 0.561 CB 1.477 42 residues pruned to eliminate duplicates Z: 22 20.516 2.042 0.686 0.529 0.857 0.524 CA 1.473 22 residues pruned to eliminate duplicates Z: 20 14.146 1.932 0.457 0.485 0.842 0.632 CA 1.390 20 residues pruned to eliminate duplicates Z: 31 19.857 1.882 0.701 0.509 0.933 0.567 CA 1.202 31 residues pruned to eliminate duplicates Z: 18 14.694 1.950 0.512 0.526 0.824 0.588 CB 1.430 18 residues pruned to eliminate duplicates Z: 24 17.911 1.914 0.612 0.537 0.870 0.435 CB 1.342 33 residues pruned to eliminate duplicates Z: 16 20.206 1.934 0.768 0.685 0.933 0.800 CB 1.379 16 residues pruned to eliminate duplicates Z: 40 22.522 1.955 0.650 0.516 0.821 0.538 CB 1.342 40 residues pruned to eliminate duplicates Z: 58 27.440 1.934 0.498 0.508 0.895 0.474 CB 1.391 58 residues pruned to eliminate duplicates Z: 32 21.795 1.895 0.771 0.599 0.903 0.613 CB 1.175 32 residues pruned to eliminate duplicates Z: 101 44.262 2.137 0.681 0.482 0.860 0.520 CB 1.459 101 residues pruned to eliminate duplicates Z: 33 24.144 2.006 0.728 0.510 0.875 0.500 CB 1.393 33 residues pruned to eliminate duplicates Z: 62 33.280 2.136 0.568 0.445 0.885 0.525 CB 1.521 62 residues pruned to eliminate duplicates Z: 16 10.840 1.983 0.626 0.416 0.800 0.267 CB 1.185 16 residues pruned to eliminate duplicates Z: 29 17.925 1.935 0.602 0.482 0.821 0.464 CB 1.355 29 residues pruned to eliminate duplicates Z: 80 46.341 2.145 0.708 0.542 0.911 0.519 CB 1.498 80 residues pruned to eliminate duplicates Z: 71 36.401 2.096 0.554 0.491 0.900 0.543 CB 1.498 71 residues pruned to eliminate duplicates Z: 88 33.781 2.050 0.478 0.427 0.885 0.540 CB 1.456 88 residues pruned to eliminate duplicates Z: 44 32.775 2.220 0.564 0.483 0.953 0.581 CB 1.536 44 residues pruned to eliminate duplicates Z: 31 18.763 1.992 0.637 0.416 0.867 0.367 CB 1.323 31 residues pruned to eliminate duplicates Z: 117 54.877 2.118 0.622 0.593 0.922 0.603 CB 1.471 117 residues pruned to eliminate duplicates Z: 10 7.761 2.129 0.513 0.399 0.889 0.333 CB 1.005 10 residues pruned to eliminate duplicates Z: 39 31.262 2.290 0.524 0.459 0.921 0.526 CB 1.646 39 residues pruned to eliminate duplicates Z: 94 41.543 2.076 0.660 0.541 0.871 0.624 CB 1.380 94 residues pruned to eliminate duplicates Z: 73 43.425 2.143 0.622 0.550 0.944 0.625 CB 1.484 73 residues pruned to eliminate duplicates Z: 87 51.174 2.163 0.666 0.597 0.942 0.686 CB 1.482 87 residues pruned to eliminate duplicates Z: 113 63.420 2.152 0.731 0.642 0.946 0.670 CB 1.489 113 residues pruned to eliminate duplicates Z: 69 45.765 2.202 0.668 0.548 0.912 0.647 CB 1.581 69 residues pruned to eliminate duplicates Z: 78 42.250 2.077 0.556 0.575 0.961 0.662 CB 1.442 102 residues pruned to eliminate duplicates Z: 40 34.995 2.270 0.714 0.463 0.923 0.538 CB 1.620 40 residues pruned to eliminate duplicates Z: 110 65.016 2.173 0.731 0.648 0.936 0.633 CB 1.542 110 residues pruned to eliminate duplicates Z: 45 32.649 2.179 0.724 0.443 0.932 0.545 CB 1.490 45 residues pruned to eliminate duplicates Z: 62 42.465 2.189 0.709 0.536 0.967 0.689 CB 1.450 62 residues pruned to eliminate duplicates Z: 67 40.059 2.123 0.673 0.489 0.939 0.545 CB 1.494 67 residues pruned to eliminate duplicates Z: 68 45.226 2.157 0.651 0.523 0.970 0.552 CB 1.563 68 residues pruned to eliminate duplicates Z: 59 41.726 2.186 0.674 0.543 0.966 0.672 CB 1.487 59 residues pruned to eliminate duplicates Z: 84 36.614 2.059 0.691 0.478 0.880 0.590 CB 1.341 84 residues pruned to eliminate duplicates Z: 141 65.886 2.086 0.690 0.651 0.921 0.643 CB 1.489 141 residues pruned to eliminate duplicates Z: 115 61.632 2.156 0.699 0.635 0.921 0.693 CB 1.508 115 residues pruned to eliminate duplicates Z: 113 69.137 2.169 0.764 0.664 0.946 0.705 CB 1.550 113 residues pruned to eliminate duplicates Z: 84 51.006 2.144 0.728 0.560 0.952 0.566 CB 1.499 84 residues pruned to eliminate duplicates Z: 42 28.767 2.193 0.583 0.415 0.902 0.439 CB 1.567 42 residues pruned to eliminate duplicates Z: 38 27.743 2.292 0.497 0.425 0.892 0.486 CB 1.611 38 residues pruned to eliminate duplicates Z: 119 63.972 2.125 0.750 0.628 0.949 0.593 CB 1.480 119 residues pruned to eliminate duplicates Z: 47 29.989 2.166 0.671 0.422 0.913 0.413 CB 1.452 47 residues pruned to eliminate duplicates Z: 39 29.220 2.270 0.574 0.416 0.895 0.500 CB 1.618 39 residues pruned to eliminate duplicates Z: 145 67.617 2.066 0.693 0.632 0.958 0.604 CB 1.485 145 residues pruned to eliminate duplicates Z: 62 44.786 2.194 0.792 0.512 0.918 0.590 CB 1.570 62 residues pruned to eliminate duplicates Z: 68 49.882 2.196 0.733 0.567 0.955 0.687 CB 1.571 68 residues pruned to eliminate duplicates Z: 115 66.601 2.159 0.743 0.643 0.956 0.675 CB 1.517 115 residues pruned to eliminate duplicates Z: 128 65.502 2.096 0.650 0.678 0.953 0.693 CB 1.497 128 residues pruned to eliminate duplicates Z: 62 41.903 2.167 0.694 0.531 0.951 0.541 CB 1.491 62 residues pruned to eliminate duplicates Z: 37 23.471 2.027 0.561 0.521 0.889 0.500 CB 1.362 37 residues pruned to eliminate duplicates Z: 64 44.514 2.186 0.741 0.527 0.952 0.413 CB 1.506 64 residues pruned to eliminate duplicates Z: 141 67.186 2.072 0.711 0.636 0.936 0.621 CB 1.508 141 residues pruned to eliminate duplicates Z: 64 44.718 2.187 0.742 0.532 0.952 0.524 CB 1.505 64 residues pruned to eliminate duplicates Z: 37 27.329 2.045 0.715 0.576 0.861 0.500 CB 1.402 37 residues pruned to eliminate duplicates Z: 101 62.380 2.038 0.813 0.717 0.940 0.640 CB 1.476 101 residues pruned to eliminate duplicates Z: 128 73.419 2.117 0.826 0.654 0.961 0.591 CB 1.521 128 residues pruned to eliminate duplicates Z: 39 38.590 2.077 0.813 0.680 0.947 0.579 CB 1.488 39 residues pruned to eliminate duplicates Z: 39 38.982 2.091 0.737 0.676 0.947 0.553 CB 1.562 39 residues pruned to eliminate duplicates Z: 41 36.736 2.067 0.733 0.650 0.950 0.550 CB 1.485 41 residues pruned to eliminate duplicates Z: 31 28.407 2.069 0.715 0.635 0.900 0.533 CB 1.430 31 residues pruned to eliminate duplicates Z: 67 48.135 2.199 0.721 0.582 0.924 0.606 CB 1.566 67 residues pruned to eliminate duplicates Z: 68 45.359 2.172 0.774 0.557 0.925 0.507 CB 1.471 68 residues pruned to eliminate duplicates Z: 34 35.248 2.051 0.954 0.604 0.970 0.545 CB 1.430 34 residues pruned to eliminate duplicates Z: 81 56.995 2.102 0.854 0.708 0.913 0.650 CB 1.483 81 residues pruned to eliminate duplicates Z: 125 66.846 2.095 0.681 0.674 0.944 0.645 CB 1.539 125 residues pruned to eliminate duplicates Z: 31 34.731 2.088 0.904 0.670 0.967 0.567 CB 1.410 31 residues pruned to eliminate duplicates Z: 56 53.109 2.157 0.871 0.712 0.945 0.600 CB 1.549 56 residues pruned to eliminate duplicates Z: 41 35.644 2.075 0.797 0.653 0.900 0.575 CB 1.456 41 residues pruned to eliminate duplicates Z: 118 65.567 2.027 0.775 0.690 0.932 0.607 CB 1.520 118 residues pruned to eliminate duplicates Z: 60 46.092 2.097 0.846 0.663 0.915 0.559 CB 1.456 60 residues pruned to eliminate duplicates Z: 118 63.456 2.125 0.703 0.620 0.957 0.650 CB 1.513 118 residues pruned to eliminate duplicates Z: 111 66.974 2.172 0.773 0.649 0.945 0.673 CB 1.527 111 residues pruned to eliminate duplicates Z: 112 47.433 2.034 0.588 0.520 0.910 0.550 CB 1.501 112 residues pruned to eliminate duplicates Z: 61 47.429 2.059 0.802 0.721 0.917 0.633 CA 1.474 61 residues pruned to eliminate duplicates Z: 37 28.891 1.990 0.729 0.623 0.889 0.639 CB 1.402 37 residues pruned to eliminate duplicates Z: 11 11.599 1.980 0.368 0.595 0.800 0.500 CB 1.546 11 residues pruned to eliminate duplicates Z: 56 45.531 2.108 0.696 0.775 0.909 0.673 CA 1.482 56 residues pruned to eliminate duplicates Z: 11 15.685 2.031 0.507 0.701 0.900 0.700 CB 1.499 11 residues pruned to eliminate duplicates Z: 12 10.669 1.977 0.300 0.623 0.818 0.727 CB 1.363 12 residues pruned to eliminate duplicates Z: 110 66.809 2.162 0.808 0.652 0.936 0.633 CB 1.519 110 residues pruned to eliminate duplicates Z: 55 51.219 2.108 0.864 0.765 0.926 0.722 CA 1.514 55 residues pruned to eliminate duplicates Z: 58 46.002 2.081 0.766 0.755 0.912 0.596 CA 1.449 58 residues pruned to eliminate duplicates Z: 28 25.756 2.005 0.774 0.564 0.852 0.444 CB 1.538 28 residues pruned to eliminate duplicates Z: 49 51.091 2.114 0.880 0.777 0.979 0.729 CA 1.484 49 residues pruned to eliminate duplicates Z: 85 60.248 2.105 0.778 0.741 0.917 0.690 CB 1.545 85 residues pruned to eliminate duplicates Z: 49 38.939 2.039 0.689 0.700 0.938 0.583 CB 1.450 49 residues pruned to eliminate duplicates Z: 99 62.857 2.019 0.808 0.712 0.949 0.653 CB 1.513 99 residues pruned to eliminate duplicates Z: 77 50.210 1.976 0.780 0.693 0.934 0.566 CB 1.469 77 residues pruned to eliminate duplicates Z: 41 49.622 2.135 0.868 0.784 0.975 0.825 CA 1.571 41 residues pruned to eliminate duplicates Z: 98 66.062 2.036 0.871 0.732 0.938 0.567 CB 1.524 98 residues pruned to eliminate duplicates Z: 43 50.730 2.160 0.877 0.812 0.952 0.690 CA 1.545 43 residues pruned to eliminate duplicates Z: 38 40.929 2.140 0.688 0.772 0.973 0.676 CA 1.505 38 residues pruned to eliminate duplicates Z: 53 47.883 2.037 0.931 0.715 0.942 0.673 CA 1.474 53 residues pruned to eliminate duplicates Z: 60 45.892 1.950 0.818 0.704 0.949 0.661 CA 1.475 60 residues pruned to eliminate duplicates Z: 44 50.744 2.145 0.920 0.800 0.953 0.674 CB 1.516 44 residues pruned to eliminate duplicates Z: 66 46.857 1.952 0.796 0.723 0.938 0.585 CB 1.444 66 residues pruned to eliminate duplicates Z: 58 52.144 2.045 0.879 0.730 0.947 0.579 CA 1.542 58 residues pruned to eliminate duplicates Z: 54 45.027 2.060 0.926 0.703 0.925 0.547 CB 1.402 54 residues pruned to eliminate duplicates Z: 44 38.557 1.919 0.745 0.795 0.953 0.721 CA 1.423 44 residues pruned to eliminate duplicates Z: 24 38.589 2.107 0.853 0.867 0.957 0.957 CA 1.576 24 residues pruned to eliminate duplicates Z: 49 42.897 2.081 0.851 0.738 0.896 0.792 CA 1.450 49 residues pruned to eliminate duplicates Z: 58 36.289 1.913 0.753 0.662 0.912 0.614 CA 1.352 58 residues pruned to eliminate duplicates Z: 100 63.833 2.036 0.837 0.729 0.949 0.616 CB 1.470 100 residues pruned to eliminate duplicates Z: 44 39.852 1.928 0.800 0.798 0.953 0.605 CA 1.415 44 residues pruned to eliminate duplicates Z: 62 53.096 2.009 0.940 0.772 0.934 0.639 CB 1.467 62 residues pruned to eliminate duplicates Z: 43 50.417 2.153 0.944 0.797 0.952 0.667 CA 1.504 43 residues pruned to eliminate duplicates Z: 47 55.601 2.128 1.015 0.793 0.978 0.652 CA 1.511 47 residues pruned to eliminate duplicates Z: 48 51.249 2.099 0.964 0.778 0.936 0.596 CA 1.515 48 residues pruned to eliminate duplicates Z: 32 31.813 1.985 0.857 0.775 0.903 0.742 CA 1.346 32 residues pruned to eliminate duplicates Z: 65 41.227 1.917 0.710 0.670 0.938 0.594 CA 1.433 65 residues pruned to eliminate duplicates Z: 58 40.898 1.874 0.716 0.723 0.930 0.579 CA 1.481 58 residues pruned to eliminate duplicates Z: 47 52.480 2.116 0.961 0.793 0.935 0.696 CA 1.543 47 residues pruned to eliminate duplicates Z: 57 46.061 1.991 0.803 0.748 0.929 0.750 CA 1.479 57 residues pruned to eliminate duplicates Z: 44 41.164 1.935 0.775 0.793 0.977 0.535 CA 1.447 44 residues pruned to eliminate duplicates Z: 132 62.967 2.079 0.716 0.631 0.916 0.573 CB 1.489 132 residues pruned to eliminate duplicates Z: 32 43.664 2.105 0.995 0.800 0.935 0.581 CB 1.535 32 residues pruned to eliminate duplicates Z: 34 35.997 1.942 0.945 0.735 0.939 0.545 CA 1.430 34 residues pruned to eliminate duplicates Z: 73 40.957 1.919 0.758 0.654 0.889 0.625 CB 1.394 73 residues pruned to eliminate duplicates Z: 36 43.016 2.089 0.976 0.809 0.943 0.629 CA 1.428 36 residues pruned to eliminate duplicates Z: 33 34.790 1.928 1.008 0.751 0.938 0.719 CA 1.355 33 residues pruned to eliminate duplicates Z: 92 44.755 1.970 0.684 0.612 0.890 0.560 CB 1.429 92 residues pruned to eliminate duplicates Z: 29 45.728 2.034 0.975 0.862 1.000 0.750 CB 1.579 29 residues pruned to eliminate duplicates Z: 62 51.032 1.994 0.834 0.772 0.951 0.639 CA 1.478 62 residues pruned to eliminate duplicates Z: 47 53.138 2.073 1.007 0.790 0.957 0.522 CA 1.526 47 residues pruned to eliminate duplicates Z: 72 54.396 2.003 0.853 0.756 0.944 0.493 CB 1.467 72 residues pruned to eliminate duplicates Z: 72 51.303 1.980 0.859 0.724 0.944 0.465 CB 1.432 72 residues pruned to eliminate duplicates Z: 18 14.430 1.685 0.512 0.723 0.824 0.588 CA 1.364 18 residues pruned to eliminate duplicates Z: 57 45.345 1.933 0.772 0.737 0.946 0.518 CB 1.511 57 residues pruned to eliminate duplicates Z: 15 15.626 1.693 0.487 0.782 0.929 0.500 CA 1.393 15 residues pruned to eliminate duplicates Z: 27 20.544 1.780 0.528 0.635 0.923 0.423 CB 1.415 27 residues pruned to eliminate duplicates Z: 31 22.430 1.778 0.537 0.607 0.933 0.533 CB 1.451 31 residues pruned to eliminate duplicates Z: 44 42.481 1.915 0.919 0.796 0.953 0.488 CB 1.427 44 residues pruned to eliminate duplicates Z: 61 57.116 2.000 0.955 0.784 0.983 0.433 CB 1.493 61 residues pruned to eliminate duplicates Z: 31 19.233 1.778 0.427 0.585 0.933 0.533 CB 1.366 31 residues pruned to eliminate duplicates Z: 102 55.039 1.985 0.814 0.670 0.901 0.535 CB 1.443 102 residues pruned to eliminate duplicates Z: 45 44.212 1.915 0.948 0.791 0.932 0.614 CA 1.486 45 residues pruned to eliminate duplicates Z: 18 14.046 1.675 0.424 0.637 0.941 0.471 CA 1.335 18 residues pruned to eliminate duplicates Z: 74 45.934 1.961 0.810 0.703 0.890 0.356 CB 1.414 74 residues pruned to eliminate duplicates Z: 44 41.942 1.894 0.980 0.797 0.930 0.535 CB 1.414 44 residues pruned to eliminate duplicates Z: 127 60.583 2.061 0.720 0.621 0.921 0.492 CB 1.476 127 residues pruned to eliminate duplicates Z: 74 50.496 1.968 0.866 0.716 0.904 0.466 CB 1.463 74 residues pruned to eliminate duplicates Z: 13 12.958 1.937 0.349 0.521 0.917 0.583 CB 1.530 13 residues pruned to eliminate duplicates Z: 13 17.137 1.883 0.673 0.593 1.000 0.333 CB 1.437 13 residues pruned to eliminate duplicates Z: 86 51.896 1.970 0.803 0.681 0.918 0.412 CB 1.463 86 residues pruned to eliminate duplicates Z: 13 17.149 1.908 0.591 0.601 1.000 0.500 CB 1.481 13 residues pruned to eliminate duplicates Z: 12 14.730 1.959 0.418 0.644 0.909 0.727 CB 1.537 12 residues pruned to eliminate duplicates Z: 10 17.060 1.814 0.670 0.903 1.000 1.000 CB 1.338 10 residues pruned to eliminate duplicates Z: 13 15.069 1.875 0.462 0.602 1.000 0.833 CB 1.440 13 residues pruned to eliminate duplicates Z: 9 19.419 1.958 0.624 0.860 1.000 0.875 CB 1.587 9 residues pruned to eliminate duplicates Z: 12 16.342 1.977 0.471 0.639 1.000 0.545 CB 1.488 12 residues pruned to eliminate duplicates Z: 14 12.382 1.787 0.539 0.552 0.846 0.538 CB 1.402 14 residues pruned to eliminate duplicates Z: 17 10.549 1.659 0.519 0.509 0.938 0.562 CB 1.106 17 residues pruned to eliminate duplicates Z: 13 14.273 1.873 0.563 0.594 0.917 0.500 CB 1.402 13 residues pruned to eliminate duplicates Z: 15 6.095 1.572 0.360 0.266 0.929 0.429 CB 1.071 11 residues pruned to eliminate duplicates Z: 6 6.102 1.912 0.274 0.375 1.000 0.400 CB 1.280 6 residues pruned to eliminate duplicates Z: 30 24.157 2.164 0.502 0.442 0.931 0.586 CB 1.573 30 residues pruned to eliminate duplicates Z: 30 22.564 2.166 0.537 0.425 0.862 0.586 CB 1.579 30 residues pruned to eliminate duplicates Z: 92 50.949 2.150 0.553 0.569 0.945 0.648 CB 1.583 92 residues pruned to eliminate duplicates Z: 31 22.395 2.123 0.606 0.409 0.867 0.500 CB 1.522 31 residues pruned to eliminate duplicates Z: 44 23.653 2.146 0.460 0.381 0.884 0.581 CB 1.479 44 residues pruned to eliminate duplicates Z: 27 29.263 2.231 0.708 0.485 0.962 0.500 CB 1.590 27 residues pruned to eliminate duplicates Z: 29 21.687 2.161 0.524 0.447 0.857 0.429 CB 1.533 29 residues pruned to eliminate duplicates Z: 38 21.311 2.138 0.516 0.384 0.892 0.405 CB 1.371 38 residues pruned to eliminate duplicates Z: 66 38.758 2.273 0.532 0.480 0.846 0.538 CB 1.664 66 residues pruned to eliminate duplicates Z: 29 26.674 2.197 0.643 0.457 0.929 0.607 CB 1.572 29 residues pruned to eliminate duplicates Z: 90 47.634 2.160 0.568 0.569 0.888 0.607 CB 1.571 90 residues pruned to eliminate duplicates Z: 25 12.649 1.984 0.561 0.198 0.833 0.583 CB 1.434 25 residues pruned to eliminate duplicates Z: 88 37.475 2.139 0.453 0.488 0.851 0.621 CB 1.538 88 residues pruned to eliminate duplicates Z: 41 22.544 2.061 0.524 0.368 0.875 0.600 CB 1.495 41 residues pruned to eliminate duplicates Z: 31 20.532 2.025 0.832 0.409 0.800 0.433 CB 1.390 31 residues pruned to eliminate duplicates Z: 29 24.346 2.165 0.631 0.436 0.893 0.536 CB 1.559 29 residues pruned to eliminate duplicates Z: 28 25.320 2.185 0.703 0.454 0.889 0.519 CB 1.545 28 residues pruned to eliminate duplicates Z: 93 46.676 2.124 0.680 0.539 0.859 0.565 CB 1.528 93 residues pruned to eliminate duplicates Z: 30 23.700 2.172 0.634 0.426 0.862 0.517 CB 1.553 30 residues pruned to eliminate duplicates Z: 28 24.500 2.202 0.679 0.460 0.852 0.481 CB 1.559 28 residues pruned to eliminate duplicates Z: 29 25.041 2.137 0.601 0.433 0.964 0.500 CB 1.538 29 residues pruned to eliminate duplicates Z: 13 25.420 2.229 0.660 0.754 1.000 0.667 CB 1.582 13 residues pruned to eliminate duplicates Z: 29 24.929 2.148 0.668 0.445 0.893 0.643 CB 1.558 29 residues pruned to eliminate duplicates Z: 36 25.558 2.229 0.504 0.423 0.914 0.514 CB 1.527 36 residues pruned to eliminate duplicates Z: 29 21.530 2.181 0.534 0.414 0.857 0.500 CB 1.554 29 residues pruned to eliminate duplicates Z: 86 46.965 2.197 0.585 0.518 0.906 0.565 CB 1.587 86 residues pruned to eliminate duplicates Z: 44 31.902 2.245 0.595 0.521 0.837 0.488 CB 1.590 44 residues pruned to eliminate duplicates Z: 38 23.601 2.148 0.501 0.402 0.838 0.405 CB 1.591 38 residues pruned to eliminate duplicates Z: 43 39.162 2.287 0.712 0.547 0.881 0.571 CB 1.674 43 residues pruned to eliminate duplicates Z: 39 20.100 2.096 0.494 0.363 0.842 0.526 CB 1.432 39 residues pruned to eliminate duplicates Z: 39 25.342 2.127 0.530 0.410 0.895 0.500 CB 1.552 39 residues pruned to eliminate duplicates Z: 87 47.571 2.168 0.608 0.517 0.907 0.616 CB 1.596 98 residues pruned to eliminate duplicates Z: 6 3.008 1.529 0.127 0.337 0.800 0.600 N 1.165 6 residues pruned to eliminate duplicates Z: 15 9.195 2.009 0.511 0.317 0.786 0.571 CB 1.262 15 residues pruned to eliminate duplicates Z: 61 41.342 2.148 0.593 0.583 0.900 0.617 CB 1.600 61 residues pruned to eliminate duplicates Z: 86 46.630 2.179 0.607 0.510 0.882 0.553 CB 1.621 86 residues pruned to eliminate duplicates Z: 68 46.116 2.207 0.567 0.571 0.925 0.642 CB 1.644 68 residues pruned to eliminate duplicates Z: 91 47.970 2.146 0.554 0.557 0.911 0.644 CB 1.575 91 residues pruned to eliminate duplicates Z: 84 42.883 2.174 0.550 0.522 0.867 0.554 CB 1.575 84 residues pruned to eliminate duplicates Z: 43 27.600 2.234 0.538 0.498 0.810 0.429 CB 1.533 43 residues pruned to eliminate duplicates Z: 63 39.531 2.206 0.614 0.507 0.887 0.565 CB 1.578 63 residues pruned to eliminate duplicates Z: 25 30.418 2.366 0.656 0.558 0.875 0.625 CB 1.710 25 residues pruned to eliminate duplicates Z: 65 37.822 2.109 0.564 0.510 0.891 0.578 CB 1.594 65 residues pruned to eliminate duplicates Z: 86 45.132 2.157 0.608 0.502 0.882 0.565 CB 1.597 86 residues pruned to eliminate duplicates Z: 90 45.289 2.135 0.616 0.497 0.888 0.596 CB 1.571 90 residues pruned to eliminate duplicates Z: 36 22.708 2.144 0.570 0.495 0.771 0.543 CB 1.486 36 residues pruned to eliminate duplicates Z: 60 37.639 2.242 0.593 0.451 0.898 0.576 CB 1.607 60 residues pruned to eliminate duplicates Z: 72 40.712 2.216 0.534 0.476 0.887 0.535 CB 1.641 72 residues pruned to eliminate duplicates Z: 60 36.062 2.228 0.616 0.440 0.847 0.525 CB 1.637 60 residues pruned to eliminate duplicates Z: 51 34.213 2.097 0.437 0.581 0.920 0.620 CB 1.614 51 residues pruned to eliminate duplicates Z: 64 36.646 2.124 0.555 0.564 0.857 0.603 CB 1.533 64 residues pruned to eliminate duplicates Z: 61 34.766 2.212 0.633 0.456 0.833 0.600 CB 1.560 61 residues pruned to eliminate duplicates Z: 47 36.751 2.131 0.568 0.626 0.913 0.761 CB 1.578 47 residues pruned to eliminate duplicates Z: 89 50.218 2.153 0.669 0.526 0.920 0.591 CB 1.577 108 residues pruned to eliminate duplicates Z: 66 41.820 2.126 0.684 0.608 0.846 0.662 CB 1.545 66 residues pruned to eliminate duplicates Z: 61 44.705 2.176 0.683 0.548 0.933 0.683 CB 1.611 61 residues pruned to eliminate duplicates Z: 66 41.357 2.122 0.603 0.595 0.877 0.646 CB 1.571 66 residues pruned to eliminate duplicates Z: 58 38.762 2.059 0.668 0.640 0.860 0.596 CB 1.525 58 residues pruned to eliminate duplicates Z: 86 47.223 2.184 0.594 0.509 0.906 0.624 CB 1.609 86 residues pruned to eliminate duplicates Z: 60 41.233 2.189 0.687 0.536 0.898 0.627 CB 1.562 60 residues pruned to eliminate duplicates Z: 58 45.087 2.186 0.752 0.575 0.912 0.632 CB 1.589 58 residues pruned to eliminate duplicates Z: 67 43.788 2.110 0.567 0.613 0.924 0.742 CB 1.584 67 residues pruned to eliminate duplicates Z: 49 37.705 2.108 0.739 0.554 0.896 0.604 CB 1.572 49 residues pruned to eliminate duplicates Z: 66 47.803 2.132 0.661 0.616 0.938 0.615 CB 1.599 66 residues pruned to eliminate duplicates Z: 43 33.177 2.038 0.655 0.579 0.929 0.643 CB 1.515 43 residues pruned to eliminate duplicates Z: 87 46.641 2.173 0.665 0.511 0.884 0.616 CB 1.556 87 residues pruned to eliminate duplicates Z: 86 54.737 2.153 0.723 0.578 0.941 0.588 CB 1.577 86 residues pruned to eliminate duplicates Z: 92 47.432 2.100 0.702 0.543 0.868 0.582 CB 1.536 92 residues pruned to eliminate duplicates Z: 86 47.509 2.178 0.654 0.492 0.906 0.529 CB 1.591 86 residues pruned to eliminate duplicates Z: 54 45.256 2.069 0.779 0.687 0.906 0.660 CB 1.571 54 residues pruned to eliminate duplicates Z: 95 51.577 2.108 0.718 0.546 0.904 0.617 CB 1.552 93 residues pruned to eliminate duplicates Z: 22 24.138 1.710 0.625 0.825 1.000 0.762 CA 1.431 Z: 6 11.556 1.676 0.861 0.850 1.000 0.600 CB 1.228 7 residues pruned to eliminate duplicates Z: 22 22.322 1.700 0.551 0.921 1.000 0.810 CA 1.300 22 residues pruned to eliminate duplicates Z: 65 40.029 2.107 0.748 0.531 0.891 0.609 CB 1.480 65 residues pruned to eliminate duplicates Z: 86 45.728 2.167 0.672 0.506 0.906 0.600 CB 1.502 86 residues pruned to eliminate duplicates Z: 91 49.544 2.149 0.701 0.555 0.878 0.600 CB 1.543 91 residues pruned to eliminate duplicates Z: 67 46.519 2.097 0.746 0.604 0.909 0.621 CB 1.558 67 residues pruned to eliminate duplicates Z: 48 40.830 2.202 0.746 0.579 0.915 0.447 CB 1.569 69 residues pruned to eliminate duplicates Z: 57 46.027 2.107 0.810 0.651 0.929 0.571 CB 1.508 57 residues pruned to eliminate duplicates Z: 65 47.132 2.137 0.761 0.625 0.906 0.625 CB 1.536 65 residues pruned to eliminate duplicates Z: 61 42.107 2.050 0.747 0.610 0.900 0.583 CB 1.518 61 residues pruned to eliminate duplicates Z: 64 48.366 2.156 0.777 0.604 0.905 0.571 CB 1.593 64 residues pruned to eliminate duplicates Z: 56 48.333 2.070 0.873 0.665 0.927 0.673 CB 1.555 56 residues pruned to eliminate duplicates Z: 93 52.035 2.133 0.704 0.559 0.913 0.576 CB 1.544 93 residues pruned to eliminate duplicates Z: 53 48.275 2.080 0.870 0.688 0.942 0.558 CB 1.537 53 residues pruned to eliminate duplicates Z: 65 48.722 2.148 0.743 0.607 0.938 0.578 CB 1.568 65 residues pruned to eliminate duplicates Z: 93 52.158 2.137 0.750 0.560 0.902 0.565 CB 1.521 95 residues pruned to eliminate duplicates Z: 20 27.490 1.774 0.862 0.931 0.947 0.526 CB 1.409 Z: 20 26.260 1.767 0.784 0.930 0.947 0.684 CB 1.411 20 residues pruned to eliminate duplicates Z: 20 12.629 2.045 0.605 0.254 0.842 0.526 CB 1.391 20 residues pruned to eliminate duplicates Z: 6 5.465 1.709 0.406 0.425 1.000 0.200 CB 1.099 6 residues pruned to eliminate duplicates Z: 39 21.715 2.097 0.533 0.409 0.868 0.553 CB 1.388 39 residues pruned to eliminate duplicates Z: 27 20.894 2.098 0.603 0.430 0.885 0.577 CB 1.481 27 residues pruned to eliminate duplicates Z: 93 46.821 2.075 0.593 0.557 0.924 0.641 CB 1.511 93 residues pruned to eliminate duplicates Z: 20 13.549 2.057 0.584 0.261 0.842 0.421 CB 1.488 19 residues pruned to eliminate duplicates Z: 7 16.441 2.049 1.077 0.529 1.000 0.500 CA 1.533 7 residues pruned to eliminate duplicates Z: 27 22.773 2.138 0.685 0.407 0.923 0.577 CB 1.481 27 residues pruned to eliminate duplicates Z: 29 23.224 2.128 0.619 0.428 0.929 0.464 CB 1.479 30 residues pruned to eliminate duplicates Z: 6 12.830 1.774 0.894 0.819 1.000 0.800 CA 1.294 6 residues pruned to eliminate duplicates Z: 28 20.639 2.101 0.646 0.416 0.852 0.481 CB 1.472 28 residues pruned to eliminate duplicates Z: 26 20.835 2.138 0.592 0.409 0.880 0.480 CB 1.530 26 residues pruned to eliminate duplicates Z: 28 21.602 2.092 0.651 0.462 0.852 0.630 CB 1.469 27 residues pruned to eliminate duplicates Z: 12 16.932 2.103 0.491 0.711 0.909 0.636 CB 1.480 12 residues pruned to eliminate duplicates Z: 37 22.179 2.085 0.583 0.424 0.889 0.611 CB 1.363 38 residues pruned to eliminate duplicates Z: 13 13.934 1.712 0.731 0.754 0.833 0.667 CB 1.299 13 residues pruned to eliminate duplicates Z: 92 48.667 2.097 0.657 0.556 0.923 0.560 CB 1.506 92 residues pruned to eliminate duplicates Z: 40 19.615 2.067 0.511 0.412 0.821 0.513 CB 1.344 40 residues pruned to eliminate duplicates Z: 40 20.264 2.061 0.469 0.389 0.872 0.564 CB 1.383 40 residues pruned to eliminate duplicates Z: 28 18.059 2.100 0.523 0.450 0.852 0.481 CB 1.342 28 residues pruned to eliminate duplicates Z: 12 17.347 1.940 0.774 0.766 0.818 0.727 CA 1.468 12 residues pruned to eliminate duplicates Z: 39 22.055 2.097 0.522 0.402 0.895 0.553 CB 1.390 39 residues pruned to eliminate duplicates Z: 38 20.782 2.057 0.484 0.408 0.892 0.486 CB 1.383 38 residues pruned to eliminate duplicates Z: 93 45.461 2.076 0.579 0.565 0.902 0.674 CB 1.505 93 residues pruned to eliminate duplicates Z: 32 15.343 2.026 0.546 0.372 0.774 0.419 CB 1.304 31 residues pruned to eliminate duplicates Z: 6 3.773 1.276 0.986 0.365 1.000 0.800 CA 0.770 6 residues pruned to eliminate duplicates Z: 65 44.231 2.069 0.586 0.629 0.969 0.703 CB 1.540 65 residues pruned to eliminate duplicates Z: 14 8.346 1.890 0.409 0.322 0.846 0.385 CB 1.250 14 residues pruned to eliminate duplicates Z: 65 48.423 2.092 0.725 0.635 0.969 0.672 CB 1.525 65 residues pruned to eliminate duplicates Z: 8 4.899 1.779 0.353 0.474 0.714 0.429 CA 1.107 8 residues pruned to eliminate duplicates Z: 12 9.094 2.032 0.397 0.392 0.909 0.545 CB 1.192 12 residues pruned to eliminate duplicates Z: 20 22.824 1.986 0.602 0.718 0.947 0.737 CB 1.427 20 residues pruned to eliminate duplicates Z: 52 49.705 2.123 0.588 0.739 0.980 0.784 CB 1.700 52 residues pruned to eliminate duplicates Z: 64 45.387 2.063 0.644 0.663 0.921 0.698 CB 1.575 64 residues pruned to eliminate duplicates Z: 53 48.805 2.089 0.641 0.708 0.981 0.750 CA 1.666 53 residues pruned to eliminate duplicates Z: 49 46.083 2.125 0.597 0.689 0.979 0.771 CA 1.683 49 residues pruned to eliminate duplicates Z: 52 47.847 2.109 0.606 0.726 0.980 0.745 CB 1.645 52 residues pruned to eliminate duplicates Z: 52 50.758 2.116 0.687 0.707 0.961 0.745 CA 1.717 52 residues pruned to eliminate duplicates Z: 18 27.802 2.039 1.022 0.733 0.882 0.765 CA 1.503 18 residues pruned to eliminate duplicates Z: 48 54.380 2.146 0.827 0.699 1.000 0.745 CB 1.687 48 residues pruned to eliminate duplicates Z: 53 53.283 2.088 0.775 0.693 0.981 0.673 CB 1.703 53 residues pruned to eliminate duplicates Z: 51 56.485 2.130 0.783 0.727 1.000 0.740 CA 1.715 51 residues pruned to eliminate duplicates Z: 16 40.519 2.107 1.257 0.897 1.000 0.600 CA 1.574 16 residues pruned to eliminate duplicates Z: 59 47.417 2.086 0.861 0.631 0.948 0.672 CB 1.495 59 residues pruned to eliminate duplicates Z: 51 49.158 2.127 0.715 0.724 0.960 0.700 CB 1.622 51 residues pruned to eliminate duplicates Z: 52 47.747 2.090 0.765 0.704 0.941 0.706 CB 1.600 52 residues pruned to eliminate duplicates Z: 53 51.778 2.070 0.810 0.717 0.962 0.654 CB 1.638 53 residues pruned to eliminate duplicates Z: 52 53.486 2.091 0.836 0.723 1.000 0.627 CB 1.596 52 residues pruned to eliminate duplicates Z: 47 37.081 1.997 0.773 0.620 0.891 0.391 CB 1.547 47 residues pruned to eliminate duplicates Z: 49 46.183 2.125 0.685 0.675 0.958 0.688 CB 1.653 49 residues pruned to eliminate duplicates Z: 53 47.146 2.094 0.673 0.693 0.962 0.750 CB 1.628 53 residues pruned to eliminate duplicates Z: 52 55.770 2.110 0.812 0.725 0.980 0.706 CB 1.700 52 residues pruned to eliminate duplicates Z: 51 55.083 2.130 0.770 0.719 0.980 0.740 CB 1.730 51 residues pruned to eliminate duplicates Z: 53 53.189 2.104 0.775 0.694 0.981 0.769 CB 1.686 53 residues pruned to eliminate duplicates Z: 49 50.561 2.120 0.835 0.689 0.979 0.688 CA 1.611 49 residues pruned to eliminate duplicates Z: 53 56.554 2.098 0.854 0.734 0.981 0.808 CB 1.665 53 residues pruned to eliminate duplicates Z: 38 40.789 2.074 0.666 0.680 0.973 0.703 CA 1.691 38 residues pruned to eliminate duplicates Z: 53 47.148 2.055 0.751 0.695 0.981 0.615 CB 1.551 53 residues pruned to eliminate duplicates Z: 49 51.483 2.155 0.788 0.692 0.958 0.729 CB 1.690 49 residues pruned to eliminate duplicates Z: 53 53.285 2.091 0.729 0.706 1.000 0.731 CB 1.695 53 residues pruned to eliminate duplicates Z: 51 54.680 2.130 0.757 0.732 0.980 0.660 CB 1.711 51 residues pruned to eliminate duplicates Z: 53 54.316 2.106 0.848 0.710 0.962 0.615 CB 1.664 53 residues pruned to eliminate duplicates Z: 49 54.706 2.137 0.853 0.703 1.000 0.750 CB 1.657 49 residues pruned to eliminate duplicates Z: 51 57.612 2.137 0.851 0.727 0.980 0.740 CB 1.713 51 residues pruned to eliminate duplicates Z: 20 26.510 1.909 0.502 0.914 0.947 0.842 CB 1.583 20 residues pruned to eliminate duplicates Z: 54 49.078 2.067 0.719 0.709 0.962 0.755 CB 1.630 54 residues pruned to eliminate duplicates Z: 53 56.511 2.091 0.876 0.698 1.000 0.635 CB 1.667 53 residues pruned to eliminate duplicates Z: 53 47.887 2.082 0.780 0.689 0.923 0.712 CB 1.632 53 residues pruned to eliminate duplicates Z: 52 56.173 2.111 0.851 0.720 0.980 0.725 CB 1.683 52 residues pruned to eliminate duplicates Z: 52 51.308 2.091 0.822 0.712 0.941 0.725 CB 1.653 52 residues pruned to eliminate duplicates Z: 51 58.635 2.140 0.908 0.735 0.980 0.700 CB 1.678 51 residues pruned to eliminate duplicates Z: 21 33.327 1.894 0.766 0.920 1.000 0.500 CB 1.569 21 residues pruned to eliminate duplicates Z: 52 56.574 2.115 0.880 0.715 0.961 0.745 CB 1.706 52 residues pruned to eliminate duplicates Z: 36 45.384 2.073 0.766 0.729 1.000 0.686 CB 1.704 36 residues pruned to eliminate duplicates Z: 51 57.800 2.124 0.876 0.730 1.000 0.620 CB 1.668 51 residues pruned to eliminate duplicates Z: 21 34.876 1.941 0.750 0.917 1.000 0.800 CB 1.620 21 residues pruned to eliminate duplicates Z: 51 53.757 2.128 0.917 0.721 0.940 0.640 CB 1.623 51 residues pruned to eliminate duplicates Z: 21 30.281 1.909 0.664 0.906 0.950 0.650 CB 1.596 21 residues pruned to eliminate duplicates Z: 52 55.481 2.120 0.928 0.732 0.941 0.667 CB 1.638 52 residues pruned to eliminate duplicates Z: 24 33.857 1.975 0.839 0.787 0.957 0.739 CB 1.579 24 residues pruned to eliminate duplicates Z: 37 41.716 2.083 0.650 0.713 1.000 0.750 CB 1.668 37 residues pruned to eliminate duplicates 604 residues left after pruning, divided into chains as follows: A: 8 B: 63 C: 14 D: 10 E: 155 F: 234 G: 20 H: 92 I: 8 CC for partial structure against native data = 41.49 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.491, Connect. = 0.756 for dens.mod. cycle 1 = 0.303, Contrast = 0.552, Connect. = 0.775 for dens.mod. cycle 2 = 0.304, Contrast = 0.680, Connect. = 0.804 for dens.mod. cycle 3 = 0.303, Contrast = 0.682, Connect. = 0.804 for dens.mod. cycle 4 = 0.303, Contrast = 0.694, Connect. = 0.805 for dens.mod. cycle 5 = 0.303, Contrast = 0.696, Connect. = 0.806 for dens.mod. cycle 6 = 0.304, Contrast = 0.701, Connect. = 0.807 for dens.mod. cycle 7 = 0.304, Contrast = 0.703, Connect. = 0.807 for dens.mod. cycle 8 = 0.304, Contrast = 0.705, Connect. = 0.808 for dens.mod. cycle 9 = 0.304, Contrast = 0.706, Connect. = 0.808 for dens.mod. cycle 10 TimeTaking 237.05