null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 01:33:04 on 15 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: ./2anu-2.3-parrot-noncs/2anu-2.3-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2anu-2.3-parrot-noncs/2anu-2.3-parrot-noncs.ins Phases from ./2anu-2.3-parrot-noncs/2anu-2.3-parrot-noncs.phi Native data from ./2anu-2.3-parrot-noncs/2anu-2.3-parrot-noncs.hkl Listing output to ./2anu-2.3-parrot-noncs/2anu-2.3-parrot-noncs.lst Phases output to ./2anu-2.3-parrot-noncs/2anu-2.3-parrot-noncs.phs Poly-Ala trace output to ./2anu-2.3-parrot-noncs/2anu-2.3-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: H 3 Allowed origin shift code: 8 78583 Reflections read from file ./2anu-2.3-parrot-noncs/2anu-2.3-parrot-noncs.phi 78583 Reflections read from file ./2anu-2.3-parrot-noncs/2anu-2.3-parrot-noncs.hkl 78583 Unique data, highest resolution = 2.300 Angstroms Anisotropic scaling: intensities multiplied by -0.000021h^2 -0.000021k^2 +0.000005l^2 +0.000000kl +0.000000hl -0.000021hk 44 Reflections with d > 2.500 and 0 in range 2.500 > d > 2.300 added Density sharpening factor set to 0.30 Fourier grid = 256 x 256 x 167 0.000 <= z <= 0.333 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.698 = 0.300, Contrast = 0.355, Connect. = 0.706 for dens.mod. cycle 1 = 0.300, Contrast = 0.496, Connect. = 0.731 for dens.mod. cycle 2 = 0.300, Contrast = 0.648, Connect. = 0.765 for dens.mod. cycle 3 = 0.300, Contrast = 0.699, Connect. = 0.778 for dens.mod. cycle 4 = 0.300, Contrast = 0.726, Connect. = 0.785 for dens.mod. cycle 5 = 0.300, Contrast = 0.743, Connect. = 0.790 for dens.mod. cycle 6 = 0.300, Contrast = 0.753, Connect. = 0.794 for dens.mod. cycle 7 = 0.300, Contrast = 0.760, Connect. = 0.796 for dens.mod. cycle 8 = 0.300, Contrast = 0.765, Connect. = 0.798 for dens.mod. cycle 9 = 0.300, Contrast = 0.769, Connect. = 0.799 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5848 peaks > 0.5 sigma used to seed fragment search Space for about 2008 unique residues taking solvent into account 1417 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 19.626 2.014 0.533 0.832 1.000 0.846 CA 1.324 B: 8 10.372 1.858 1.145 0.429 0.857 0.714 N 1.235 C: 15 19.672 1.896 0.555 0.874 1.000 0.857 CA 1.298 15 residues pruned to eliminate duplicates D: 13 24.753 2.018 0.786 0.867 1.000 0.833 CA 1.451 14 residues pruned to eliminate duplicates E: 17 12.761 1.989 0.481 0.487 0.938 0.375 CB 1.170 F: 11 15.889 2.056 0.328 0.832 1.000 0.700 CA 1.382 11 residues pruned to eliminate duplicates G: 13 24.316 1.853 1.247 0.894 1.000 0.917 CA 1.209 H: 13 22.423 1.927 0.980 0.859 0.917 0.833 CA 1.362 I: 13 26.358 1.991 1.002 0.858 1.000 0.917 CB 1.406 J: 10 12.608 1.926 0.816 0.418 0.889 0.667 CA 1.472 K: 21 29.405 2.005 0.900 0.903 0.900 0.700 CB 1.367 L: 18 24.664 1.923 1.010 0.863 0.941 0.647 CB 1.207 17 residues pruned to eliminate duplicates M: 11 16.428 1.915 0.989 0.916 1.000 0.800 CB 0.963 N: 22 20.216 1.801 0.721 0.864 0.905 0.476 CB 1.153 O: 10 17.747 1.989 1.115 0.914 1.000 0.667 CB 0.995 P: 12 18.113 2.044 0.424 0.885 1.000 1.000 CA 1.354 12 residues pruned to eliminate duplicates Q: 43 29.909 1.992 0.807 0.509 0.929 0.476 CB 1.369 30 residues pruned to eliminate duplicates R: 42 32.371 1.969 0.949 0.499 0.878 0.585 CB 1.503 13 residues pruned to eliminate duplicates S: 11 12.785 1.894 0.686 0.917 1.000 0.900 CB 0.893 T: 22 32.729 1.996 0.931 0.889 0.952 0.667 CB 1.400 22 residues pruned to eliminate duplicates U: 13 24.388 2.037 0.973 0.868 1.000 0.917 CA 1.280 13 residues pruned to eliminate duplicates V: 13 27.162 1.963 0.961 0.871 1.000 0.917 CA 1.486 13 residues pruned to eliminate duplicates W: 11 23.592 2.074 0.659 0.934 1.000 0.900 CB 1.512 X: 13 16.268 1.631 0.823 0.811 0.833 0.583 N 1.446 Y: 20 24.588 1.804 0.713 0.944 1.000 0.895 CB 1.264 19 residues pruned to eliminate duplicates Z: 12 22.308 1.954 0.836 0.823 1.000 0.909 CA 1.416 12 residues pruned to eliminate duplicates Z: 12 24.904 2.049 0.830 0.885 1.000 1.000 CA 1.445 11 residues pruned to eliminate duplicates Z: 13 20.828 1.846 0.537 0.906 1.000 0.917 CA 1.507 Z: 28 19.628 1.911 0.493 0.714 0.963 0.667 CB 1.133 Z: 14 19.852 1.880 0.816 0.821 0.923 0.769 CB 1.322 14 residues pruned to eliminate duplicates Z: 21 20.713 1.866 0.376 0.867 1.000 0.700 CA 1.319 Z: 13 17.586 1.871 0.845 0.788 0.917 0.750 CA 1.245 13 residues pruned to eliminate duplicates Z: 22 26.475 1.880 0.749 0.864 0.952 0.667 CB 1.353 21 residues pruned to eliminate duplicates Z: 12 21.018 1.903 0.867 0.880 1.000 0.818 CA 1.292 12 residues pruned to eliminate duplicates Z: 14 17.707 1.562 0.806 0.792 1.000 0.692 CB 1.347 13 residues pruned to eliminate duplicates Z: 11 10.946 1.989 0.664 0.900 1.000 0.700 CB 0.747 11 residues pruned to eliminate duplicates Z: 21 31.172 1.974 0.977 0.888 0.950 0.900 CB 1.354 21 residues pruned to eliminate duplicates Z: 12 19.465 1.957 0.945 0.904 0.909 0.818 CB 1.208 10 residues pruned to eliminate duplicates Z: 10 8.271 1.761 0.775 0.906 1.000 0.889 CB 0.627 Z: 22 12.404 1.900 0.592 0.323 0.857 0.286 CB 1.268 4 residues pruned to eliminate duplicates Z: 12 20.306 1.656 1.118 0.878 0.909 0.727 CA 1.393 Z: 14 16.780 1.544 0.824 0.840 1.000 0.769 N 1.233 14 residues pruned to eliminate duplicates Z: 12 22.672 1.795 1.197 0.867 1.000 0.818 CA 1.268 12 residues pruned to eliminate duplicates Z: 10 11.068 1.815 0.473 0.916 1.000 1.000 CB 0.975 Z: 24 31.323 1.918 0.920 0.859 0.957 0.609 CB 1.364 Z: 38 31.813 1.939 0.835 0.529 0.919 0.595 CB 1.554 39 residues pruned to eliminate duplicates Z: 22 28.667 1.874 0.780 0.897 1.000 0.857 CB 1.342 22 residues pruned to eliminate duplicates Z: 13 16.937 1.745 0.761 0.840 0.917 0.917 CA 1.295 Z: 12 9.900 1.749 0.933 0.291 0.818 0.545 CB 1.363 Z: 24 31.059 1.924 1.003 0.850 0.957 0.522 CA 1.302 24 residues pruned to eliminate duplicates Z: 23 23.853 1.950 0.670 0.836 1.000 0.818 CB 1.170 24 residues pruned to eliminate duplicates Z: 23 32.423 1.976 0.950 0.868 0.955 0.636 CB 1.374 23 residues pruned to eliminate duplicates Z: 12 22.101 2.014 0.647 0.879 1.000 0.818 CA 1.457 12 residues pruned to eliminate duplicates Z: 22 24.171 1.862 0.645 0.858 0.952 0.619 CB 1.331 22 residues pruned to eliminate duplicates Z: 21 28.247 1.966 0.756 0.886 0.900 0.700 CB 1.467 21 residues pruned to eliminate duplicates Z: 12 25.863 1.999 0.940 0.883 1.000 1.000 CA 1.454 12 residues pruned to eliminate duplicates Z: 22 11.388 1.698 0.670 0.554 0.714 0.381 CB 1.165 8 residues pruned to eliminate duplicates Z: 13 21.438 1.981 0.746 0.808 0.917 0.667 CA 1.492 13 residues pruned to eliminate duplicates Z: 37 26.728 1.940 0.689 0.572 0.917 0.722 CA 1.384 13 residues pruned to eliminate duplicates Z: 18 15.688 1.869 0.623 0.418 0.941 0.529 CA 1.451 Z: 27 18.495 1.815 0.525 0.584 0.923 0.731 CA 1.309 Z: 25 32.791 1.884 1.011 0.839 1.000 0.625 CA 1.320 24 residues pruned to eliminate duplicates Z: 12 22.901 1.832 0.881 0.863 1.000 0.818 CA 1.470 12 residues pruned to eliminate duplicates Z: 24 29.830 1.865 0.932 0.877 1.000 0.609 CB 1.253 25 residues pruned to eliminate duplicates Z: 12 13.574 1.888 0.468 0.882 1.000 0.818 CB 1.069 Z: 22 25.816 1.864 0.663 0.863 1.000 0.619 CB 1.333 22 residues pruned to eliminate duplicates Z: 13 18.252 1.783 0.727 0.843 0.917 0.917 CA 1.389 13 residues pruned to eliminate duplicates Z: 9 9.200 1.696 0.660 0.702 0.875 0.625 CA 1.099 9 residues pruned to eliminate duplicates Z: 8 5.571 1.607 0.820 0.388 1.000 0.857 CB 0.811 Z: 12 21.987 1.932 0.984 0.903 1.000 1.000 CA 1.233 12 residues pruned to eliminate duplicates Z: 13 15.241 2.006 0.297 0.806 0.917 0.833 CA 1.413 13 residues pruned to eliminate duplicates Z: 13 21.865 1.850 1.052 0.858 1.000 0.750 CA 1.225 13 residues pruned to eliminate duplicates Z: 18 10.707 1.782 0.607 0.419 0.824 0.471 CB 1.198 18 residues pruned to eliminate duplicates Z: 22 21.477 1.924 0.580 0.873 0.952 0.905 CB 1.179 22 residues pruned to eliminate duplicates Z: 14 16.811 1.729 0.700 0.859 1.000 1.000 CA 1.168 Z: 12 19.726 1.843 0.903 0.924 1.000 0.909 CB 1.191 10 residues pruned to eliminate duplicates Z: 22 23.107 1.942 0.769 0.865 0.952 0.714 CB 1.129 22 residues pruned to eliminate duplicates Z: 12 14.960 1.782 0.594 0.908 0.909 0.909 CB 1.241 12 residues pruned to eliminate duplicates Z: 13 19.359 1.830 0.768 0.857 1.000 0.917 CA 1.273 13 residues pruned to eliminate duplicates Z: 24 28.403 1.943 0.705 0.864 1.000 0.870 CB 1.310 23 residues pruned to eliminate duplicates Z: 13 11.341 1.707 0.419 0.615 0.917 0.500 CB 1.323 13 residues pruned to eliminate duplicates Z: 14 17.334 1.783 0.706 0.842 1.000 0.846 CA 1.178 Z: 27 17.044 1.808 0.660 0.485 0.923 0.731 CB 1.225 Z: 13 15.870 1.653 1.013 0.835 0.917 0.417 CA 1.125 13 residues pruned to eliminate duplicates Z: 11 12.718 1.877 0.637 0.917 1.000 0.800 CB 0.924 11 residues pruned to eliminate duplicates Z: 14 22.532 1.865 0.959 0.836 0.923 0.769 CB 1.387 14 residues pruned to eliminate duplicates Z: 12 16.601 1.857 0.765 0.896 1.000 0.909 CB 1.094 10 residues pruned to eliminate duplicates Z: 12 21.109 2.005 0.562 0.909 1.000 1.000 CA 1.443 12 residues pruned to eliminate duplicates Z: 22 26.905 1.947 0.837 0.876 1.000 0.714 CB 1.193 22 residues pruned to eliminate duplicates Z: 14 19.923 1.797 0.836 0.827 1.000 0.692 CA 1.262 14 residues pruned to eliminate duplicates Z: 13 21.165 1.909 0.727 0.854 1.000 0.833 CB 1.369 13 residues pruned to eliminate duplicates Z: 14 14.117 1.712 0.801 0.821 0.923 0.846 CA 1.042 13 residues pruned to eliminate duplicates Z: 13 13.967 1.526 0.625 0.884 1.000 0.833 CA 1.175 Z: 12 25.664 1.772 1.204 0.844 1.000 0.818 CA 1.473 13 residues pruned to eliminate duplicates Z: 11 17.084 1.665 0.873 0.874 1.000 0.800 CA 1.261 11 residues pruned to eliminate duplicates Z: 32 17.897 1.805 0.813 0.519 0.903 0.452 CB 1.067 15 residues pruned to eliminate duplicates Z: 13 21.456 1.904 0.912 0.892 0.917 0.583 CB 1.333 13 residues pruned to eliminate duplicates Z: 6 13.343 2.062 0.643 0.564 1.000 0.800 N 1.655 6 residues pruned to eliminate duplicates Z: 11 13.474 1.878 0.752 0.808 1.000 0.700 CB 0.990 10 residues pruned to eliminate duplicates Z: 28 18.820 1.897 0.574 0.498 0.926 0.704 CA 1.313 28 residues pruned to eliminate duplicates Z: 14 18.860 1.795 0.775 0.875 1.000 0.923 CB 1.194 14 residues pruned to eliminate duplicates Z: 20 23.440 1.815 0.787 0.896 1.000 0.842 CB 1.188 23 residues pruned to eliminate duplicates Z: 23 28.403 1.902 0.798 0.870 1.000 0.591 CB 1.292 23 residues pruned to eliminate duplicates Z: 13 15.800 1.812 0.704 0.858 0.917 0.917 CB 1.187 13 residues pruned to eliminate duplicates Z: 21 34.242 2.007 0.958 0.912 1.000 0.850 CB 1.380 21 residues pruned to eliminate duplicates Z: 14 6.795 1.694 0.666 0.469 0.846 0.538 CB 0.814 4 residues pruned to eliminate duplicates Z: 21 11.813 1.755 0.510 0.562 0.750 0.600 CB 1.251 13 residues pruned to eliminate duplicates Z: 11 22.020 2.056 0.831 0.878 1.000 0.800 CA 1.343 11 residues pruned to eliminate duplicates Z: 24 27.590 1.885 0.748 0.881 1.000 0.826 CA 1.264 24 residues pruned to eliminate duplicates Z: 11 6.121 1.596 0.591 0.470 0.800 0.500 CB 0.982 Z: 22 37.600 1.977 1.198 0.894 1.000 0.810 CB 1.354 24 residues pruned to eliminate duplicates Z: 37 19.733 1.710 0.541 0.561 0.944 0.611 CB 1.246 28 residues pruned to eliminate duplicates Z: 15 16.150 1.724 0.871 0.722 0.929 0.643 CA 1.180 15 residues pruned to eliminate duplicates Z: 6 7.934 1.811 0.750 0.499 1.000 1.000 CB 1.121 5 residues pruned to eliminate duplicates Z: 27 8.575 1.722 0.399 0.270 0.731 0.385 CB 1.241 Z: 24 27.895 1.893 0.865 0.880 1.000 0.739 CA 1.194 24 residues pruned to eliminate duplicates Z: 22 24.498 1.889 0.604 0.880 1.000 0.857 CA 1.279 22 residues pruned to eliminate duplicates Z: 11 20.266 1.805 1.004 0.859 1.000 0.600 N 1.303 11 residues pruned to eliminate duplicates Z: 22 22.413 1.861 0.462 0.857 1.000 0.810 CB 1.324 22 residues pruned to eliminate duplicates Z: 13 21.926 1.791 1.117 0.847 0.917 0.833 CB 1.352 13 residues pruned to eliminate duplicates Z: 18 11.284 1.786 0.546 0.399 0.941 0.647 CB 1.172 Z: 21 25.159 1.955 0.559 0.883 1.000 0.850 CB 1.334 21 residues pruned to eliminate duplicates Z: 7 4.312 1.568 0.790 0.395 0.833 0.333 CB 0.840 Z: 12 10.678 1.818 0.539 0.473 0.818 0.636 CB 1.445 12 residues pruned to eliminate duplicates Z: 23 31.798 1.950 0.783 0.887 1.000 0.864 CA 1.406 23 residues pruned to eliminate duplicates Z: 33 21.887 1.852 0.689 0.498 0.875 0.688 CB 1.416 8 residues pruned to eliminate duplicates Z: 12 22.462 1.955 1.047 0.907 0.909 0.727 CA 1.323 12 residues pruned to eliminate duplicates Z: 10 17.164 1.927 1.169 0.910 0.889 0.778 CB 1.092 10 residues pruned to eliminate duplicates Z: 7 10.516 1.769 0.767 0.658 0.833 0.500 O 1.423 Z: 13 21.358 1.899 1.045 0.853 1.000 0.833 CA 1.174 13 residues pruned to eliminate duplicates Z: 9 7.582 1.492 0.149 0.892 1.000 0.875 CB 1.124 9 residues pruned to eliminate duplicates Z: 20 22.631 1.852 0.999 0.845 0.947 0.579 CB 1.101 20 residues pruned to eliminate duplicates Z: 17 9.773 1.811 0.674 0.341 0.875 0.625 CB 1.095 17 residues pruned to eliminate duplicates Z: 46 20.980 1.788 0.600 0.516 0.911 0.600 CB 1.180 Z: 7 10.808 1.951 0.391 0.640 1.000 0.833 CA 1.426 Z: 13 16.829 1.801 0.731 0.854 1.000 0.833 CB 1.151 12 residues pruned to eliminate duplicates Z: 13 25.497 1.978 1.050 0.873 1.000 0.750 CA 1.322 13 residues pruned to eliminate duplicates Z: 14 17.274 1.752 0.612 0.855 1.000 0.923 CB 1.252 14 residues pruned to eliminate duplicates Z: 23 32.257 1.937 0.994 0.863 1.000 0.864 CA 1.307 23 residues pruned to eliminate duplicates Z: 21 22.533 1.873 1.103 0.847 0.900 0.700 CB 1.055 21 residues pruned to eliminate duplicates Z: 13 22.493 1.803 1.084 0.871 1.000 0.833 CB 1.260 13 residues pruned to eliminate duplicates Z: 24 28.724 1.892 1.004 0.852 0.913 0.565 CA 1.279 24 residues pruned to eliminate duplicates Z: 17 12.871 1.889 0.589 0.526 0.938 0.375 CB 1.115 17 residues pruned to eliminate duplicates Z: 14 21.339 1.992 0.921 0.802 0.923 0.615 CA 1.286 14 residues pruned to eliminate duplicates Z: 6 11.805 1.910 1.061 0.641 0.800 0.400 CB 1.470 6 residues pruned to eliminate duplicates Z: 12 15.924 1.839 1.242 0.808 0.909 0.818 CB 0.979 11 residues pruned to eliminate duplicates Z: 20 11.864 1.833 0.428 0.335 0.895 0.474 CB 1.393 27 residues pruned to eliminate duplicates Z: 13 14.416 1.795 0.711 0.816 1.000 0.750 CB 1.030 13 residues pruned to eliminate duplicates Z: 48 18.414 1.745 0.458 0.489 0.915 0.596 CB 1.167 44 residues pruned to eliminate duplicates Z: 7 9.523 1.968 0.472 0.711 1.000 0.667 CB 1.108 8 residues pruned to eliminate duplicates Z: 31 17.752 1.826 0.673 0.464 0.800 0.600 CA 1.375 22 residues pruned to eliminate duplicates Z: 43 25.758 1.842 0.782 0.543 0.881 0.643 CB 1.318 30 residues pruned to eliminate duplicates Z: 10 8.794 1.497 0.298 0.889 1.000 0.889 CB 1.087 10 residues pruned to eliminate duplicates Z: 22 27.002 1.889 1.040 0.850 0.905 0.476 CB 1.252 23 residues pruned to eliminate duplicates Z: 12 8.536 1.864 0.669 0.458 0.727 0.636 CA 1.188 Z: 9 5.989 1.502 0.516 0.715 0.625 0.500 CB 1.225 9 residues pruned to eliminate duplicates Z: 11 11.061 1.775 0.763 0.493 0.800 0.500 N 1.407 Z: 23 29.328 1.926 0.874 0.889 0.955 0.591 CB 1.306 23 residues pruned to eliminate duplicates Z: 19 8.908 1.811 0.561 0.347 0.889 0.444 CB 0.986 3 residues pruned to eliminate duplicates Z: 14 22.371 1.821 0.790 0.875 1.000 0.846 CA 1.385 14 residues pruned to eliminate duplicates Z: 7 12.107 1.674 0.789 0.806 1.000 0.667 CA 1.264 7 residues pruned to eliminate duplicates Z: 24 29.421 1.939 0.839 0.858 1.000 0.783 CA 1.267 24 residues pruned to eliminate duplicates Z: 14 17.062 1.697 0.794 0.897 0.923 0.769 CB 1.205 14 residues pruned to eliminate duplicates Z: 14 24.389 1.848 0.957 0.821 1.000 0.692 CA 1.416 14 residues pruned to eliminate duplicates Z: 20 11.980 1.762 0.564 0.548 0.895 0.474 CB 1.063 Z: 6 10.576 1.751 0.959 0.820 0.800 0.600 O 1.306 6 residues pruned to eliminate duplicates Z: 55 28.344 1.860 0.757 0.641 0.944 0.667 CB 1.095 40 residues pruned to eliminate duplicates Z: 24 25.717 1.900 0.708 0.891 1.000 0.870 CA 1.188 24 residues pruned to eliminate duplicates Z: 12 18.036 1.881 0.406 0.886 1.000 0.818 CA 1.483 12 residues pruned to eliminate duplicates Z: 11 13.402 1.938 0.698 0.877 1.000 0.700 CB 0.935 11 residues pruned to eliminate duplicates Z: 40 26.511 1.877 0.721 0.588 0.872 0.718 CB 1.386 40 residues pruned to eliminate duplicates Z: 46 26.655 1.890 0.761 0.547 0.956 0.600 CB 1.194 46 residues pruned to eliminate duplicates Z: 29 13.525 1.701 0.501 0.416 0.929 0.643 CB 1.177 Z: 11 22.850 2.076 0.591 0.927 1.000 1.000 CB 1.533 11 residues pruned to eliminate duplicates Z: 23 12.757 1.730 0.730 0.364 0.864 0.545 CB 1.217 11 residues pruned to eliminate duplicates Z: 8 5.759 1.337 0.548 0.666 1.000 0.857 CA 0.902 8 residues pruned to eliminate duplicates Z: 23 24.345 1.925 0.499 0.883 1.000 1.000 CA 1.301 23 residues pruned to eliminate duplicates Z: 22 20.029 1.914 0.444 0.877 1.000 0.810 CB 1.148 22 residues pruned to eliminate duplicates Z: 12 13.319 1.595 0.557 0.894 1.000 0.818 CA 1.160 10 residues pruned to eliminate duplicates Z: 13 22.153 1.913 0.857 0.901 1.000 1.000 CA 1.285 13 residues pruned to eliminate duplicates Z: 12 15.362 1.856 0.690 0.906 0.909 0.636 CB 1.155 12 residues pruned to eliminate duplicates Z: 14 18.216 1.741 0.935 0.897 1.000 0.769 CB 1.074 14 residues pruned to eliminate duplicates Z: 59 24.121 1.800 0.532 0.501 0.931 0.569 CB 1.232 53 residues pruned to eliminate duplicates Z: 8 6.115 1.466 0.590 0.678 0.857 0.857 CB 0.982 8 residues pruned to eliminate duplicates Z: 20 15.188 1.822 0.539 0.463 0.947 0.737 CB 1.362 20 residues pruned to eliminate duplicates Z: 21 32.132 2.000 0.948 0.884 0.950 0.800 CB 1.403 21 residues pruned to eliminate duplicates Z: 19 11.117 1.781 0.433 0.374 0.833 0.389 CA 1.410 19 residues pruned to eliminate duplicates Z: 27 13.240 1.784 0.574 0.417 0.808 0.538 CB 1.248 25 residues pruned to eliminate duplicates Z: 12 8.917 1.719 0.568 0.422 0.909 0.545 CB 1.190 10 residues pruned to eliminate duplicates Z: 22 15.600 1.817 0.538 0.564 0.810 0.429 CB 1.414 23 residues pruned to eliminate duplicates Z: 9 17.724 1.820 0.954 0.672 1.000 0.625 O 1.504 9 residues pruned to eliminate duplicates Z: 10 6.570 1.573 0.335 0.734 0.889 0.667 CA 0.951 8 1.619 1.375 0.303 0.318 0.571 0.286 CB 0.730 ? Z: 17 9.142 1.805 0.199 0.401 0.812 0.625 CB 1.443 12 residues pruned to eliminate duplicates Z: 21 23.327 1.925 0.448 0.884 1.000 0.800 CA 1.352 21 residues pruned to eliminate duplicates Z: 11 9.048 1.589 0.299 0.675 1.000 0.900 CA 1.180 10 residues pruned to eliminate duplicates Z: 42 29.974 1.910 0.987 0.420 0.927 0.366 CB 1.446 39 residues pruned to eliminate duplicates Z: 32 18.978 1.782 0.659 0.493 0.935 0.645 CB 1.242 15 residues pruned to eliminate duplicates Z: 21 19.551 1.874 0.586 0.857 1.000 0.800 CB 1.084 21 residues pruned to eliminate duplicates Z: 15 15.375 1.713 0.538 0.788 0.929 0.857 CB 1.304 15 residues pruned to eliminate duplicates Z: 43 27.528 1.836 0.823 0.504 0.952 0.381 CB 1.328 34 residues pruned to eliminate duplicates Z: 9 8.496 1.572 0.741 0.557 0.875 0.750 CA 1.187 Z: 10 8.157 1.767 0.481 0.906 1.000 0.889 CB 0.738 10 residues pruned to eliminate duplicates Z: 13 14.301 1.608 0.757 0.745 0.833 0.417 C 1.408 13 residues pruned to eliminate duplicates Z: 7 6.449 1.570 0.949 0.507 0.833 0.667 CB 1.025 7 residues pruned to eliminate duplicates Z: 13 23.902 1.950 0.899 0.821 1.000 0.750 CA 1.411 13 residues pruned to eliminate duplicates Z: 22 22.888 1.971 0.624 0.849 0.952 0.762 CB 1.215 22 residues pruned to eliminate duplicates Z: 27 13.229 1.765 0.517 0.375 0.846 0.538 CA 1.309 27 residues pruned to eliminate duplicates Z: 12 12.633 1.802 0.482 0.825 0.909 0.909 CA 1.184 12 residues pruned to eliminate duplicates Z: 24 22.403 1.837 0.561 0.896 1.000 0.913 CA 1.167 24 residues pruned to eliminate duplicates Z: 14 17.853 1.686 0.891 0.898 1.000 0.769 CB 1.111 14 residues pruned to eliminate duplicates Z: 8 5.184 1.553 0.572 0.600 0.857 0.429 CB 0.851 8 residues pruned to eliminate duplicates Z: 12 18.428 1.839 1.195 0.707 0.818 0.273 CB 1.394 12 residues pruned to eliminate duplicates Z: 22 22.070 1.941 0.589 0.854 1.000 0.714 CB 1.153 22 residues pruned to eliminate duplicates Z: 13 20.355 1.992 0.684 0.856 0.917 0.917 CA 1.409 13 residues pruned to eliminate duplicates Z: 23 24.727 1.932 0.617 0.846 0.909 0.636 CA 1.380 23 residues pruned to eliminate duplicates Z: 22 25.868 1.922 0.900 0.838 0.952 0.714 CB 1.213 22 residues pruned to eliminate duplicates Z: 19 11.430 1.701 0.618 0.538 0.722 0.444 N 1.306 19 residues pruned to eliminate duplicates Z: 14 15.251 1.862 0.853 0.757 0.692 0.538 CB 1.408 14 residues pruned to eliminate duplicates Z: 6 4.183 1.528 0.899 0.543 0.600 0.400 O 1.029 Z: 24 10.810 1.774 0.736 0.422 0.783 0.391 CB 1.014 24 residues pruned to eliminate duplicates Z: 13 14.803 1.815 0.679 0.784 0.917 0.750 CA 1.191 13 residues pruned to eliminate duplicates Z: 6 5.512 1.761 0.459 0.866 1.000 1.000 CB 0.702 Z: 37 31.158 1.911 0.934 0.666 0.972 0.583 CB 1.239 29 residues pruned to eliminate duplicates Z: 33 25.074 1.813 0.534 0.763 1.000 0.844 CB 1.262 30 residues pruned to eliminate duplicates Z: 18 11.995 1.878 0.492 0.315 0.882 0.412 CB 1.443 18 residues pruned to eliminate duplicates Z: 21 15.325 1.858 0.991 0.585 0.800 0.550 CB 1.068 13 residues pruned to eliminate duplicates Z: 8 7.405 1.637 0.453 0.494 1.000 0.714 CA 1.183 Z: 14 14.163 1.480 0.669 0.837 1.000 0.923 N 1.189 14 residues pruned to eliminate duplicates Z: 23 21.783 1.916 0.874 0.797 0.955 0.409 CB 1.045 23 residues pruned to eliminate duplicates Z: 11 20.145 1.929 0.935 0.894 0.900 0.800 CB 1.360 11 residues pruned to eliminate duplicates Z: 8 3.290 1.414 0.515 0.340 0.857 0.571 CB 0.806 Z: 23 20.506 1.799 0.552 0.826 0.955 0.864 CB 1.236 23 residues pruned to eliminate duplicates Z: 7 14.572 1.838 0.852 0.756 1.000 0.833 CA 1.392 7 residues pruned to eliminate duplicates Z: 14 22.444 1.911 1.136 0.871 1.000 0.846 CA 1.112 14 residues pruned to eliminate duplicates Z: 27 11.604 1.618 0.556 0.433 0.808 0.500 CB 1.200 Z: 23 28.023 1.892 0.855 0.852 0.955 0.818 CA 1.318 23 residues pruned to eliminate duplicates Z: 41 27.588 1.927 0.909 0.477 0.825 0.450 CB 1.470 41 residues pruned to eliminate duplicates Z: 10 8.442 1.632 0.430 0.751 1.000 1.000 CB 0.963 10 residues pruned to eliminate duplicates Z: 23 20.808 1.811 0.652 0.882 0.955 0.864 CB 1.124 20 residues pruned to eliminate duplicates Z: 9 5.223 1.484 0.526 0.299 0.875 0.500 CB 1.166 Z: 38 29.788 1.884 0.983 0.637 0.919 0.676 CB 1.255 38 residues pruned to eliminate duplicates Z: 6 3.139 1.577 0.592 0.100 0.800 0.200 C 1.166 Z: 10 6.807 1.588 0.751 0.444 1.000 0.556 CB 0.864 Z: 13 14.396 1.792 0.545 0.838 0.917 0.667 CB 1.223 13 residues pruned to eliminate duplicates Z: 23 18.211 1.874 0.727 0.700 0.864 0.682 CB 1.157 23 residues pruned to eliminate duplicates Z: 19 11.954 1.908 0.581 0.301 0.833 0.611 CB 1.400 19 residues pruned to eliminate duplicates Z: 13 12.416 1.697 0.476 0.873 0.917 0.750 CA 1.136 13 residues pruned to eliminate duplicates Z: 8 5.420 1.691 0.670 0.516 0.857 0.429 CB 0.834 8 residues pruned to eliminate duplicates Z: 13 13.347 1.676 0.520 0.870 1.000 0.833 CB 1.104 13 residues pruned to eliminate duplicates Z: 11 5.558 1.530 0.084 0.646 0.800 0.600 CB 1.157 11 residues pruned to eliminate duplicates Z: 15 13.219 1.758 0.370 0.690 0.929 0.857 CB 1.327 15 residues pruned to eliminate duplicates Z: 9 5.494 1.503 0.965 0.425 0.875 0.375 N 0.812 Z: 9 12.561 1.730 0.772 0.565 1.000 0.625 N 1.361 9 residues pruned to eliminate duplicates Z: 23 26.544 1.839 0.730 0.886 1.000 0.773 CB 1.283 22 residues pruned to eliminate duplicates Z: 14 16.055 1.754 0.710 0.866 0.923 0.692 CB 1.178 13 residues pruned to eliminate duplicates Z: 11 6.311 1.576 0.679 0.362 0.900 0.500 CB 0.972 Z: 13 16.183 1.763 0.605 0.841 0.917 0.833 CB 1.343 13 residues pruned to eliminate duplicates Z: 8 5.404 1.480 0.479 0.378 1.000 0.571 CB 1.063 Z: 41 30.101 1.889 0.803 0.584 0.950 0.675 CB 1.357 43 residues pruned to eliminate duplicates Z: 13 16.925 1.824 0.766 0.829 1.000 0.833 CA 1.142 13 residues pruned to eliminate duplicates Z: 13 17.572 1.974 0.925 0.903 1.000 0.583 CB 0.952 13 residues pruned to eliminate duplicates Z: 12 7.906 1.575 0.266 0.822 0.818 0.727 CA 1.105 12 residues pruned to eliminate duplicates Z: 23 25.531 1.888 0.667 0.893 1.000 1.000 CA 1.242 23 residues pruned to eliminate duplicates Z: 6 8.415 1.727 1.019 0.656 1.000 0.600 CA 0.934 Z: 13 17.612 1.849 0.617 0.881 0.917 0.833 CB 1.344 13 residues pruned to eliminate duplicates Z: 24 17.892 1.796 0.756 0.677 0.957 0.478 CB 1.051 24 residues pruned to eliminate duplicates Z: 6 4.945 1.662 0.457 0.413 0.800 0.600 CA 1.251 Z: 34 24.536 1.847 0.847 0.597 0.848 0.545 CB 1.346 34 residues pruned to eliminate duplicates Z: 9 10.242 1.785 0.519 0.700 1.000 0.875 CB 1.113 9 residues pruned to eliminate duplicates Z: 15 7.576 1.720 0.458 0.575 0.786 0.643 CB 0.956 10 residues pruned to eliminate duplicates Z: 29 16.023 1.860 0.626 0.384 0.893 0.571 CA 1.269 23 residues pruned to eliminate duplicates Z: 14 15.604 1.707 0.865 0.738 0.923 0.692 CB 1.189 14 residues pruned to eliminate duplicates Z: 13 20.145 1.774 0.957 0.862 0.917 0.833 CA 1.341 12 residues pruned to eliminate duplicates Z: 12 15.250 1.634 0.622 0.798 1.000 0.636 CA 1.337 12 residues pruned to eliminate duplicates Z: 13 14.016 1.775 0.491 0.816 1.000 0.750 CB 1.162 13 residues pruned to eliminate duplicates Z: 15 15.741 1.653 0.476 0.672 1.000 0.643 O 1.471 15 residues pruned to eliminate duplicates Z: 22 21.107 1.825 0.497 0.863 0.952 0.762 CB 1.299 22 residues pruned to eliminate duplicates Z: 14 14.847 1.589 0.597 0.913 1.000 1.000 CB 1.148 14 residues pruned to eliminate duplicates Z: 6 4.001 1.518 0.658 0.298 1.000 0.600 N 0.891 Z: 22 19.920 1.796 0.725 0.886 1.000 0.619 CB 1.012 22 residues pruned to eliminate duplicates Z: 18 10.574 1.908 0.277 0.344 0.882 0.706 CA 1.414 9 residues pruned to eliminate duplicates Z: 11 7.511 1.504 0.504 0.529 0.900 0.700 CB 1.134 Z: 22 8.400 1.647 0.213 0.493 0.905 0.714 CB 1.021 22 residues pruned to eliminate duplicates Z: 8 6.679 1.795 0.911 0.437 0.714 0.714 CB 1.099 7 residues pruned to eliminate duplicates Z: 42 26.203 1.866 0.697 0.578 0.927 0.683 CB 1.294 41 residues pruned to eliminate duplicates Z: 11 7.560 1.688 0.499 0.568 0.700 0.600 CB 1.264 11 residues pruned to eliminate duplicates Z: 41 24.782 1.807 0.749 0.450 0.900 0.600 CA 1.450 21 residues pruned to eliminate duplicates Z: 13 7.945 1.657 0.334 0.603 0.917 0.500 CB 1.026 13 residues pruned to eliminate duplicates Z: 9 7.157 1.703 0.521 0.389 0.750 0.500 N 1.464 7 residues pruned to eliminate duplicates Z: 25 19.526 1.873 0.787 0.437 0.958 0.667 CB 1.325 18 residues pruned to eliminate duplicates Z: 22 22.842 1.843 0.677 0.827 0.952 0.476 CB 1.276 22 residues pruned to eliminate duplicates Z: 16 11.069 1.687 0.728 0.624 0.867 0.333 CB 1.006 16 residues pruned to eliminate duplicates Z: 23 22.673 1.759 0.543 0.897 1.000 0.909 CB 1.274 23 residues pruned to eliminate duplicates Z: 6 3.024 1.519 0.148 0.439 0.800 0.400 CA 1.032 Z: 39 16.418 1.783 0.672 0.412 0.816 0.500 CB 1.201 30 residues pruned to eliminate duplicates Z: 12 19.640 1.856 1.037 0.804 1.000 0.818 CB 1.201 12 residues pruned to eliminate duplicates Z: 9 10.418 1.632 0.500 0.668 1.000 0.875 CA 1.288 9 residues pruned to eliminate duplicates Z: 13 9.330 1.722 0.384 0.572 0.917 0.667 CB 1.150 Z: 12 9.165 1.745 0.766 0.404 0.727 0.636 CB 1.364 12 residues pruned to eliminate duplicates Z: 41 24.951 1.919 0.627 0.510 0.925 0.650 CA 1.352 41 residues pruned to eliminate duplicates Z: 10 5.880 1.620 0.546 0.426 0.667 0.556 O 1.268 10 residues pruned to eliminate duplicates Z: 9 5.357 1.485 0.584 0.321 0.875 0.375 CA 1.120 Z: 37 26.243 1.850 0.886 0.511 0.917 0.528 CB 1.353 30 residues pruned to eliminate duplicates Z: 9 6.471 1.528 0.723 0.742 0.875 0.500 CB 0.800 9 residues pruned to eliminate duplicates Z: 7 4.409 1.462 0.606 0.372 1.000 0.833 CB 0.879 7 residues pruned to eliminate duplicates Z: 28 17.907 1.886 0.547 0.460 0.926 0.630 CB 1.329 25 residues pruned to eliminate duplicates Z: 7 8.635 1.788 0.764 0.512 0.833 0.500 N 1.326 7 residues pruned to eliminate duplicates Z: 10 9.362 1.807 0.414 0.858 1.000 0.889 CB 0.899 10 residues pruned to eliminate duplicates Z: 6 7.084 1.752 0.267 0.762 1.000 1.000 CB 1.131 6 residues pruned to eliminate duplicates Z: 22 23.431 1.851 0.751 0.885 0.952 0.667 CB 1.195 22 residues pruned to eliminate duplicates Z: 13 16.152 1.807 0.441 0.902 1.000 0.917 CA 1.277 13 residues pruned to eliminate duplicates Z: 25 20.729 1.882 0.910 0.647 0.917 0.708 CB 1.119 29 residues pruned to eliminate duplicates Z: 39 24.987 1.928 0.650 0.549 0.895 0.632 CB 1.358 43 residues pruned to eliminate duplicates Z: 24 29.982 1.904 0.888 0.890 1.000 0.913 CA 1.251 24 residues pruned to eliminate duplicates Z: 14 18.086 1.638 0.853 0.787 1.000 0.846 CB 1.284 14 residues pruned to eliminate duplicates Z: 10 9.947 1.665 0.600 0.797 1.000 0.889 CB 0.959 8 residues pruned to eliminate duplicates Z: 20 8.736 1.635 0.537 0.512 0.842 0.684 CB 0.935 16 residues pruned to eliminate duplicates Z: 11 10.422 1.631 0.481 0.882 0.900 0.900 CB 1.097 11 residues pruned to eliminate duplicates Z: 13 17.939 1.719 0.791 0.908 1.000 0.750 CA 1.195 13 residues pruned to eliminate duplicates Z: 32 14.722 1.776 0.446 0.423 0.935 0.581 CB 1.192 32 residues pruned to eliminate duplicates Z: 7 6.802 1.534 0.932 0.663 1.000 1.000 N 0.805 Z: 10 15.773 1.777 0.952 0.652 1.000 0.667 CA 1.316 Z: 42 25.167 1.931 0.891 0.492 0.927 0.488 CB 1.171 42 residues pruned to eliminate duplicates Z: 13 24.136 1.781 0.962 0.846 1.000 0.833 CA 1.482 13 residues pruned to eliminate duplicates Z: 34 17.595 1.861 0.667 0.407 0.970 0.424 CB 1.123 34 residues pruned to eliminate duplicates Z: 23 22.802 1.810 0.647 0.867 1.000 0.773 CB 1.193 23 residues pruned to eliminate duplicates Z: 8 8.206 1.310 0.744 0.880 1.000 1.000 CA 0.984 Z: 22 24.264 1.910 0.772 0.886 0.905 0.714 CB 1.248 22 residues pruned to eliminate duplicates 6 1.447 1.536 -0.181 0.463 1.000 0.400 CB 0.534 ? Z: 8 3.619 1.540 0.234 0.416 0.857 0.571 CB 0.916 Z: 9 11.607 1.795 0.507 0.763 1.000 0.875 CB 1.202 9 residues pruned to eliminate duplicates Z: 52 30.618 1.887 0.811 0.497 0.941 0.706 CB 1.337 40 residues pruned to eliminate duplicates Z: 7 6.789 1.713 0.443 0.582 0.833 0.667 CB 1.244 Z: 23 22.374 1.847 0.579 0.868 1.000 0.909 CA 1.196 23 residues pruned to eliminate duplicates Z: 18 11.711 1.790 0.654 0.472 0.706 0.529 CB 1.398 13 residues pruned to eliminate duplicates Z: 6 6.149 1.753 0.753 0.289 0.800 0.600 CA 1.417 3 residues pruned to eliminate duplicates Z: 8 4.064 1.560 0.737 0.348 0.714 0.429 N 0.936 Z: 21 25.116 1.861 0.607 0.896 1.000 0.800 CA 1.345 21 residues pruned to eliminate duplicates Z: 14 21.695 1.772 0.968 0.831 0.923 0.769 CA 1.404 14 residues pruned to eliminate duplicates Z: 23 18.396 1.780 0.591 0.862 0.955 0.773 CB 1.065 23 residues pruned to eliminate duplicates Z: 8 6.591 1.626 0.363 0.772 0.857 0.429 CB 1.031 8 residues pruned to eliminate duplicates Z: 10 2.720 1.402 0.272 0.268 0.778 0.333 CB 0.852 Z: 13 13.195 1.693 0.424 0.856 1.000 0.917 CB 1.166 13 residues pruned to eliminate duplicates Z: 7 7.090 1.714 0.670 0.738 0.833 0.500 CB 0.980 7 residues pruned to eliminate duplicates Z: 9 8.668 1.429 0.765 0.842 0.875 0.750 CB 1.035 Z: 42 27.583 1.970 0.861 0.517 0.878 0.561 CB 1.315 30 residues pruned to eliminate duplicates Z: 8 3.324 1.474 0.455 0.230 0.857 0.571 CB 0.936 Z: 13 12.207 1.547 0.836 0.830 0.833 0.667 CB 1.119 13 residues pruned to eliminate duplicates Z: 6 12.558 1.733 0.814 0.843 1.000 1.000 CB 1.331 6 residues pruned to eliminate duplicates Z: 33 19.595 1.816 0.985 0.556 0.844 0.344 CB 1.079 33 residues pruned to eliminate duplicates Z: 22 8.484 1.699 0.565 0.320 0.762 0.429 CB 1.114 Z: 26 14.999 1.855 0.540 0.387 0.840 0.600 CB 1.410 26 residues pruned to eliminate duplicates Z: 21 33.360 2.010 0.793 0.899 1.000 0.850 CB 1.479 21 residues pruned to eliminate duplicates Z: 41 25.076 2.013 0.900 0.517 0.800 0.450 CB 1.274 41 residues pruned to eliminate duplicates Z: 7 8.224 1.445 0.823 0.820 1.000 0.667 CB 0.966 Z: 23 25.216 1.883 0.876 0.826 0.909 0.591 CB 1.262 23 residues pruned to eliminate duplicates Z: 12 14.650 1.888 0.548 0.901 0.909 0.818 CB 1.188 12 residues pruned to eliminate duplicates Z: 48 30.128 1.874 0.763 0.567 0.957 0.660 CB 1.302 50 residues pruned to eliminate duplicates Z: 11 11.359 1.779 0.695 0.441 0.900 0.600 CB 1.406 11 residues pruned to eliminate duplicates Z: 24 16.147 1.806 0.827 0.476 0.913 0.565 CB 1.145 24 residues pruned to eliminate duplicates Z: 35 21.813 1.902 0.877 0.397 0.853 0.588 CB 1.369 35 residues pruned to eliminate duplicates Z: 10 9.778 1.897 0.416 0.892 1.000 0.778 CB 0.872 10 residues pruned to eliminate duplicates Z: 23 25.414 1.802 0.712 0.873 1.000 0.727 CB 1.279 26 residues pruned to eliminate duplicates Z: 14 12.390 1.865 0.462 0.654 0.923 0.846 CB 1.184 13 residues pruned to eliminate duplicates Z: 27 21.932 1.937 0.678 0.583 0.885 0.538 CB 1.381 27 residues pruned to eliminate duplicates Z: 22 24.892 1.917 0.588 0.873 1.000 0.905 CA 1.299 22 residues pruned to eliminate duplicates Z: 14 8.572 1.488 0.693 0.539 0.846 0.692 CB 1.074 14 residues pruned to eliminate duplicates Z: 41 29.150 1.869 0.973 0.493 0.900 0.550 CB 1.399 42 residues pruned to eliminate duplicates Z: 13 13.498 1.746 0.414 0.886 1.000 0.833 CB 1.138 13 residues pruned to eliminate duplicates Z: 7 4.399 1.679 0.699 0.361 0.833 0.500 CA 0.878 Z: 11 9.558 1.518 0.335 0.738 1.000 0.600 O 1.205 11 residues pruned to eliminate duplicates Z: 19 13.337 1.871 0.517 0.372 0.889 0.611 CB 1.428 19 residues pruned to eliminate duplicates Z: 13 11.686 1.766 0.346 0.874 1.000 0.917 CA 1.033 13 residues pruned to eliminate duplicates Z: 11 17.244 1.821 0.794 0.744 0.900 0.500 CB 1.492 11 residues pruned to eliminate duplicates Z: 14 20.891 1.841 0.834 0.817 1.000 0.692 CA 1.303 14 residues pruned to eliminate duplicates Z: 13 16.544 1.701 0.627 0.892 1.000 0.917 CA 1.240 13 residues pruned to eliminate duplicates Z: 8 4.464 1.786 0.367 0.333 0.857 0.714 CB 0.968 Z: 7 4.127 1.706 0.025 0.332 1.000 0.500 CB 1.158 7 residues pruned to eliminate duplicates Z: 57 19.955 1.721 0.681 0.493 0.875 0.429 CB 1.061 57 residues pruned to eliminate duplicates Z: 11 10.124 1.791 0.893 0.844 1.000 0.700 CB 0.702 11 residues pruned to eliminate duplicates Z: 10 6.300 1.571 0.310 0.727 0.889 0.556 CB 0.935 5 residues pruned to eliminate duplicates Z: 7 3.761 1.724 -0.108 0.254 1.000 0.333 CB 1.323 Z: 41 29.539 1.875 0.866 0.505 0.900 0.475 CB 1.476 41 residues pruned to eliminate duplicates Z: 23 22.522 1.841 0.486 0.828 1.000 0.727 CB 1.322 23 residues pruned to eliminate duplicates Z: 6 4.518 1.691 1.002 0.299 0.800 0.600 CB 0.934 Z: 34 13.533 1.650 0.336 0.528 0.939 0.667 CB 1.108 25 residues pruned to eliminate duplicates Z: 21 25.934 1.807 0.741 0.904 0.950 0.800 CA 1.381 21 residues pruned to eliminate duplicates Z: 11 2.773 1.416 -0.007 0.168 0.800 0.500 CB 1.168 Z: 6 3.552 1.263 0.360 0.621 0.800 0.600 CB 1.032 Z: 14 14.221 1.673 0.498 0.771 1.000 0.692 CA 1.238 14 residues pruned to eliminate duplicates Z: 7 7.294 1.818 0.687 0.739 0.667 0.333 CB 1.175 7 residues pruned to eliminate duplicates Z: 14 22.273 1.865 1.042 0.804 0.923 0.615 CA 1.348 14 residues pruned to eliminate duplicates Z: 24 24.315 1.770 0.732 0.851 0.957 0.783 CB 1.279 24 residues pruned to eliminate duplicates Z: 32 15.281 1.675 0.420 0.519 0.903 0.677 CB 1.253 32 residues pruned to eliminate duplicates Z: 12 12.760 1.650 0.719 0.868 0.909 0.545 CA 1.091 12 residues pruned to eliminate duplicates Z: 34 23.459 1.935 0.769 0.509 0.909 0.545 CB 1.300 34 residues pruned to eliminate duplicates Z: 7 4.057 1.649 0.157 0.617 0.833 0.667 CB 0.933 7 residues pruned to eliminate duplicates Z: 10 7.825 1.548 0.630 0.499 1.000 0.556 N 1.034 10 residues pruned to eliminate duplicates Z: 19 9.554 1.641 0.677 0.510 0.778 0.500 CB 1.042 19 residues pruned to eliminate duplicates Z: 6 3.413 1.542 0.375 0.295 0.800 0.600 CB 1.132 Z: 13 14.764 1.630 0.984 0.794 0.833 0.500 CA 1.222 13 residues pruned to eliminate duplicates 8 1.102 1.223 0.184 0.297 0.571 0.429 N 0.631 ? Z: 13 8.292 1.702 0.765 0.500 0.833 0.583 CB 0.956 13 residues pruned to eliminate duplicates Z: 23 31.029 1.906 0.962 0.886 1.000 0.773 CA 1.277 23 residues pruned to eliminate duplicates Z: 10 13.356 1.814 0.660 0.671 0.889 0.778 CB 1.420 Z: 40 23.606 1.842 0.676 0.563 0.897 0.590 CB 1.284 40 residues pruned to eliminate duplicates Z: 13 7.995 1.726 0.734 0.381 0.667 0.500 CA 1.312 Z: 10 7.250 1.539 0.615 0.481 0.778 0.667 N 1.274 10 residues pruned to eliminate duplicates Z: 11 10.428 1.980 0.721 0.898 0.900 0.800 CB 0.769 11 residues pruned to eliminate duplicates Z: 7 7.128 1.528 0.286 0.896 1.000 1.000 CA 1.060 7 residues pruned to eliminate duplicates Z: 13 15.067 1.804 0.751 0.560 0.917 0.667 CA 1.416 14 residues pruned to eliminate duplicates Z: 14 13.706 1.713 0.451 0.776 1.000 0.615 CB 1.198 14 residues pruned to eliminate duplicates Z: 36 24.830 1.790 0.952 0.504 0.914 0.600 CB 1.309 36 residues pruned to eliminate duplicates Z: 27 10.732 1.716 0.704 0.472 0.808 0.577 CB 0.917 12 residues pruned to eliminate duplicates Z: 9 5.077 1.516 0.475 0.352 0.875 0.375 CB 1.076 Z: 41 21.671 1.842 0.581 0.485 0.900 0.575 CB 1.327 41 residues pruned to eliminate duplicates Z: 13 12.539 1.728 0.280 0.879 0.917 0.750 CB 1.294 13 residues pruned to eliminate duplicates Z: 13 16.355 1.759 0.628 0.847 1.000 0.833 CB 1.225 13 residues pruned to eliminate duplicates Z: 9 8.974 1.495 0.574 0.619 1.000 0.875 CA 1.204 Z: 18 9.469 1.822 0.669 0.512 0.882 0.529 CB 0.845 18 residues pruned to eliminate duplicates Z: 12 4.645 1.566 0.309 0.400 0.727 0.364 CA 1.044 12 residues pruned to eliminate duplicates Z: 22 24.750 1.860 0.681 0.851 0.952 0.667 CB 1.342 22 residues pruned to eliminate duplicates Z: 23 30.219 1.884 1.103 0.886 0.909 0.773 CB 1.290 22 residues pruned to eliminate duplicates Z: 14 18.527 1.757 1.048 0.716 0.846 0.538 CA 1.388 13 residues pruned to eliminate duplicates 6 0.950 1.250 -0.238 0.295 0.600 0.400 CB 0.935 ? Z: 38 22.166 1.874 0.537 0.537 0.919 0.730 CB 1.329 38 residues pruned to eliminate duplicates Z: 10 4.352 1.611 0.355 0.353 0.667 0.444 CB 1.169 Z: 10 5.146 1.542 0.211 0.370 0.889 0.556 CA 1.188 10 residues pruned to eliminate duplicates Z: 11 4.952 1.704 0.270 0.379 0.800 0.500 CB 1.029 11 residues pruned to eliminate duplicates Z: 22 19.616 1.847 0.521 0.869 0.857 0.667 CB 1.299 22 residues pruned to eliminate duplicates Z: 6 6.359 1.515 0.526 0.791 1.000 0.600 CA 0.953 6 residues pruned to eliminate duplicates Z: 21 27.972 1.968 0.644 0.888 1.000 0.850 CB 1.393 21 residues pruned to eliminate duplicates Z: 7 4.627 1.737 0.397 0.320 0.833 0.667 CB 1.139 Z: 19 18.935 1.792 0.634 0.875 1.000 0.833 CA 1.109 19 residues pruned to eliminate duplicates Z: 7 2.398 1.440 0.559 0.463 0.667 0.500 CB 0.679 Z: 10 7.323 1.745 0.549 0.434 0.889 0.667 CB 1.088 Z: 38 32.021 2.020 0.923 0.487 0.865 0.324 CB 1.587 36 residues pruned to eliminate duplicates Z: 9 11.732 1.790 0.680 0.649 1.000 0.625 CB 1.200 9 residues pruned to eliminate duplicates Z: 13 17.231 1.835 0.542 0.839 1.000 0.833 CB 1.312 13 residues pruned to eliminate duplicates Z: 39 19.006 1.721 0.817 0.417 0.842 0.421 CB 1.277 49 residues pruned to eliminate duplicates Z: 11 6.295 1.607 0.467 0.395 0.900 0.400 CB 1.048 10 residues pruned to eliminate duplicates Z: 11 9.989 1.792 0.847 0.905 0.900 0.700 CB 0.755 11 residues pruned to eliminate duplicates Z: 11 18.141 1.935 0.785 0.838 1.000 0.900 CB 1.241 11 residues pruned to eliminate duplicates Z: 6 8.515 1.426 0.822 0.828 1.000 0.400 CB 1.104 6 residues pruned to eliminate duplicates Z: 7 4.161 1.431 0.653 0.363 0.667 0.333 C 1.247 7 residues pruned to eliminate duplicates Z: 20 21.425 1.842 0.375 0.903 0.947 0.737 CB 1.459 20 residues pruned to eliminate duplicates Z: 12 16.881 1.836 0.985 0.849 0.909 0.636 CB 1.138 12 residues pruned to eliminate duplicates Z: 6 3.527 1.615 0.512 0.640 0.800 0.400 CB 0.709 10 residues pruned to eliminate duplicates Z: 7 3.100 1.375 0.444 0.633 0.833 0.667 CB 0.675 7 residues pruned to eliminate duplicates Z: 9 10.128 1.641 0.546 0.722 1.000 0.875 CA 1.156 9 residues pruned to eliminate duplicates Z: 10 15.886 1.770 0.921 0.903 0.778 0.444 CB 1.427 10 residues pruned to eliminate duplicates Z: 16 12.355 1.796 0.562 0.735 1.000 0.667 CB 0.921 20 residues pruned to eliminate duplicates Z: 6 2.559 1.419 0.219 0.413 0.600 0.400 O 1.208 Z: 25 10.736 1.774 0.502 0.293 0.792 0.375 CA 1.311 25 residues pruned to eliminate duplicates Z: 21 18.730 1.829 0.403 0.825 0.950 0.800 CB 1.296 21 residues pruned to eliminate duplicates Z: 10 12.598 1.853 0.639 0.912 1.000 0.778 CB 0.979 10 residues pruned to eliminate duplicates Z: 40 28.235 1.995 0.948 0.434 0.872 0.410 CB 1.429 40 residues pruned to eliminate duplicates Z: 12 15.315 1.960 0.488 0.877 1.000 1.000 CA 1.150 12 residues pruned to eliminate duplicates Z: 12 6.741 1.403 0.853 0.321 0.818 0.364 CB 1.164 9 residues pruned to eliminate duplicates Z: 6 3.438 1.541 0.838 0.551 0.800 0.800 CB 0.646 Z: 12 17.204 1.754 0.678 0.840 1.000 0.727 CA 1.315 12 residues pruned to eliminate duplicates Z: 8 5.842 1.575 0.359 0.693 0.857 0.714 CB 1.009 Z: 11 9.184 1.614 0.284 0.647 1.000 0.600 CA 1.221 11 residues pruned to eliminate duplicates Z: 28 17.676 1.878 0.817 0.458 0.852 0.556 CB 1.222 26 residues pruned to eliminate duplicates Z: 6 4.086 1.486 0.593 0.345 0.800 0.400 CA 1.142 Z: 9 8.978 1.747 0.685 0.642 1.000 0.625 CB 0.944 9 residues pruned to eliminate duplicates Z: 13 10.665 1.823 0.856 0.776 0.583 0.333 CB 1.222 13 residues pruned to eliminate duplicates Z: 7 7.904 1.728 0.293 0.864 1.000 0.833 CB 1.059 4 residues pruned to eliminate duplicates Z: 15 18.582 1.809 1.001 0.696 1.000 0.643 CB 1.147 12 residues pruned to eliminate duplicates Z: 21 17.075 1.775 0.449 0.904 0.950 0.850 CA 1.113 21 residues pruned to eliminate duplicates Z: 7 9.335 1.718 1.051 0.837 0.667 0.667 CB 1.213 7 residues pruned to eliminate duplicates 6 0.525 1.535 0.877 0.810 0.800 0.800 CB 0.078 ? Z: 29 31.328 1.892 1.101 0.708 0.964 0.571 CB 1.279 27 residues pruned to eliminate duplicates Z: 6 9.785 1.717 1.131 0.689 1.000 0.800 CB 1.006 6 residues pruned to eliminate duplicates Z: 12 6.194 1.501 0.562 0.302 0.909 0.545 CA 1.092 Z: 18 13.912 1.802 0.646 0.474 0.882 0.588 CB 1.323 18 residues pruned to eliminate duplicates Z: 13 13.630 1.577 0.628 0.920 1.000 0.750 CB 1.079 13 residues pruned to eliminate duplicates Z: 48 18.241 1.755 0.497 0.498 0.894 0.511 CB 1.137 48 residues pruned to eliminate duplicates Z: 23 35.400 1.975 0.973 0.915 1.000 0.909 CA 1.369 23 residues pruned to eliminate duplicates Z: 7 2.463 1.461 0.168 0.437 0.667 0.333 CB 0.944 Z: 6 2.331 1.648 0.711 0.412 0.600 0.400 CB 0.676 Z: 8 15.540 1.843 0.880 0.857 1.000 0.714 CA 1.249 8 residues pruned to eliminate duplicates Z: 6 6.794 1.529 0.573 0.827 1.000 0.800 CA 0.952 6 residues pruned to eliminate duplicates Z: 12 8.279 1.680 0.644 0.439 0.818 0.727 CB 1.176 17 residues pruned to eliminate duplicates Z: 16 13.512 1.952 0.597 0.531 0.933 0.667 CB 1.163 16 residues pruned to eliminate duplicates Z: 6 4.101 1.566 0.281 0.569 0.800 0.800 CB 1.068 10 residues pruned to eliminate duplicates Z: 29 12.640 1.691 0.666 0.347 0.786 0.464 CB 1.275 17 residues pruned to eliminate duplicates Z: 8 9.279 1.676 0.275 0.749 1.000 0.571 CA 1.314 Z: 34 22.195 1.888 0.859 0.512 0.879 0.636 CB 1.239 34 residues pruned to eliminate duplicates Z: 7 4.885 1.525 0.674 0.437 0.833 0.667 CB 1.001 7 residues pruned to eliminate duplicates Z: 9 4.770 1.426 0.622 0.344 0.875 0.625 CA 0.987 Z: 10 3.715 1.525 0.122 0.184 0.889 0.556 N 1.191 Z: 16 10.591 1.582 0.762 0.572 0.867 0.667 CB 1.056 16 residues pruned to eliminate duplicates Z: 12 22.588 1.905 0.975 0.837 1.000 0.727 CA 1.354 12 residues pruned to eliminate duplicates Z: 9 7.490 1.629 0.153 0.651 0.875 0.750 CA 1.400 9 residues pruned to eliminate duplicates Z: 21 18.000 1.843 0.418 0.884 1.000 0.800 CB 1.112 21 residues pruned to eliminate duplicates Z: 24 28.374 1.847 0.992 0.822 0.957 0.739 CA 1.272 24 residues pruned to eliminate duplicates Z: 6 10.093 1.678 0.691 0.802 1.000 0.400 CB 1.222 6 residues pruned to eliminate duplicates Z: 22 26.087 1.916 0.888 0.856 0.952 0.619 CB 1.218 22 residues pruned to eliminate duplicates Z: 16 18.064 1.895 0.786 0.490 0.933 0.533 CA 1.491 16 residues pruned to eliminate duplicates Z: 15 9.256 1.697 0.950 0.357 0.714 0.286 CB 1.221 14 residues pruned to eliminate duplicates Z: 11 15.868 1.800 0.808 0.910 1.000 0.800 CB 1.093 11 residues pruned to eliminate duplicates Z: 11 4.689 1.623 0.301 0.385 0.900 0.400 CB 0.881 5 residues pruned to eliminate duplicates Z: 13 10.348 1.838 0.808 0.253 0.833 0.500 CB 1.432 13 residues pruned to eliminate duplicates Z: 8 9.244 1.821 0.802 0.372 0.857 0.571 CA 1.424 8 residues pruned to eliminate duplicates Z: 10 8.797 1.785 0.254 0.601 0.889 0.556 CB 1.338 9 residues pruned to eliminate duplicates Z: 8 8.774 1.526 0.570 0.876 1.000 0.714 CB 1.005 8 residues pruned to eliminate duplicates Z: 9 7.922 1.643 0.269 0.892 0.875 0.875 CB 1.103 7 residues pruned to eliminate duplicates Z: 18 15.411 1.679 0.674 0.722 0.941 0.471 CB 1.156 28 residues pruned to eliminate duplicates Z: 24 26.037 1.895 0.792 0.846 0.957 0.870 CB 1.242 24 residues pruned to eliminate duplicates Z: 13 10.090 1.710 0.615 0.500 0.833 0.583 CB 1.266 Z: 10 13.354 1.839 0.966 0.600 0.889 0.778 CA 1.260 10 residues pruned to eliminate duplicates Z: 6 3.241 1.873 0.318 0.291 0.600 0.600 CB 1.238 Z: 23 12.041 1.719 0.726 0.351 0.818 0.455 CB 1.242 23 residues pruned to eliminate duplicates Z: 12 9.435 1.535 0.438 0.786 0.909 0.818 CA 1.102 12 residues pruned to eliminate duplicates Z: 10 2.089 1.383 0.112 0.372 0.778 0.444 CB 0.668 Z: 6 3.645 1.622 -0.016 0.774 1.000 0.600 CB 0.801 6 residues pruned to eliminate duplicates Z: 57 22.623 1.737 0.578 0.541 0.893 0.571 CB 1.187 58 residues pruned to eliminate duplicates Z: 22 23.638 1.865 0.584 0.855 0.952 0.810 CB 1.353 22 residues pruned to eliminate duplicates 6 1.711 1.095 0.138 0.362 1.000 0.400 N 0.712 ? Z: 42 24.890 1.918 0.931 0.502 0.878 0.488 CB 1.193 42 residues pruned to eliminate duplicates Z: 10 22.495 1.953 0.905 0.865 1.000 0.778 CB 1.476 10 residues pruned to eliminate duplicates Z: 13 10.684 1.828 0.712 0.828 0.917 0.667 CB 0.810 13 residues pruned to eliminate duplicates Z: 20 14.108 1.713 0.752 0.418 0.895 0.632 CB 1.313 20 residues pruned to eliminate duplicates Z: 39 20.979 1.789 0.428 0.703 0.974 0.737 CB 1.138 39 residues pruned to eliminate duplicates Z: 9 6.293 1.580 0.296 0.604 0.875 0.625 CA 1.125 9 residues pruned to eliminate duplicates Z: 10 6.696 1.719 0.458 0.445 0.778 0.556 CB 1.211 10 residues pruned to eliminate duplicates Z: 13 19.947 1.775 0.917 0.884 1.000 1.000 CB 1.223 13 residues pruned to eliminate duplicates Z: 10 10.690 1.720 0.659 0.546 1.000 0.667 CB 1.193 Z: 19 7.153 1.634 0.722 0.313 0.833 0.611 CB 0.884 19 residues pruned to eliminate duplicates Z: 6 5.924 1.549 0.695 0.732 1.000 0.400 CB 0.819 6 residues pruned to eliminate duplicates Z: 11 14.950 1.645 0.730 0.850 1.000 0.600 CB 1.230 11 residues pruned to eliminate duplicates Z: 36 15.399 1.766 0.605 0.508 0.914 0.514 CB 0.997 36 residues pruned to eliminate duplicates Z: 10 7.277 1.562 0.203 0.719 1.000 0.778 CB 1.058 10 residues pruned to eliminate duplicates Z: 7 4.681 1.381 0.548 0.771 0.833 0.667 CB 0.843 6 residues pruned to eliminate duplicates Z: 12 2.949 1.583 0.978 0.366 0.636 0.364 N 0.515 Z: 10 4.002 1.572 0.303 0.354 0.889 0.667 CB 0.858 10 residues pruned to eliminate duplicates Z: 14 7.492 1.645 0.518 0.516 0.769 0.462 CB 1.064 17 residues pruned to eliminate duplicates Z: 12 13.595 1.820 0.461 0.858 1.000 1.000 CB 1.136 12 residues pruned to eliminate duplicates Z: 25 11.585 1.648 0.561 0.337 0.917 0.417 CB 1.198 25 residues pruned to eliminate duplicates Z: 22 23.082 1.939 0.511 0.924 1.000 0.905 CB 1.208 22 residues pruned to eliminate duplicates Z: 7 3.751 1.638 0.455 0.254 0.833 0.667 CB 1.023 5 residues pruned to eliminate duplicates Z: 38 15.278 1.654 0.575 0.482 0.892 0.676 CB 1.101 32 residues pruned to eliminate duplicates Z: 65 21.750 1.767 0.590 0.503 0.859 0.438 CB 1.123 65 residues pruned to eliminate duplicates Z: 6 5.193 1.400 0.747 0.384 1.000 0.600 O 1.074 Z: 6 2.589 1.411 0.433 0.298 0.800 0.400 N 0.897 Z: 15 14.155 1.866 0.251 0.899 1.000 0.857 CA 1.158 15 residues pruned to eliminate duplicates Z: 6 8.016 1.576 1.133 0.584 0.800 0.600 CB 1.229 Z: 32 18.963 1.806 0.562 0.615 0.871 0.677 CB 1.244 32 residues pruned to eliminate duplicates Z: 18 4.602 1.547 0.166 0.292 0.882 0.529 CB 0.886 7 residues pruned to eliminate duplicates Z: 6 3.123 1.670 0.749 0.270 0.600 0.200 CB 1.036 Z: 12 5.433 1.584 0.574 0.290 0.909 0.545 CB 0.915 12 residues pruned to eliminate duplicates Z: 14 6.981 1.537 0.480 0.419 0.769 0.538 O 1.204 14 residues pruned to eliminate duplicates Z: 14 15.859 1.748 0.757 0.822 0.923 0.846 CB 1.173 14 residues pruned to eliminate duplicates Z: 26 25.142 1.902 0.911 0.562 0.880 0.520 CB 1.481 26 residues pruned to eliminate duplicates Z: 47 26.883 1.861 0.675 0.546 0.913 0.609 CA 1.332 47 residues pruned to eliminate duplicates Z: 10 8.754 1.368 0.815 0.814 0.889 0.556 CB 1.007 8 residues pruned to eliminate duplicates Z: 9 11.896 1.843 0.989 0.637 0.875 0.750 CB 1.153 9 residues pruned to eliminate duplicates Z: 42 33.996 1.948 0.904 0.565 0.927 0.610 CB 1.450 43 residues pruned to eliminate duplicates Z: 11 10.354 1.687 0.641 0.874 0.900 0.800 CB 0.956 10 residues pruned to eliminate duplicates Z: 22 32.857 1.961 1.123 0.871 1.000 0.476 CB 1.256 23 residues pruned to eliminate duplicates Z: 7 4.959 1.514 0.349 0.390 1.000 0.500 CA 1.113 Z: 13 14.253 1.748 0.760 0.835 0.917 0.750 CB 1.092 13 residues pruned to eliminate duplicates Z: 15 20.906 1.897 1.109 0.864 0.857 0.500 CA 1.194 15 residues pruned to eliminate duplicates Z: 6 2.330 1.447 -0.062 0.458 0.800 0.800 CB 1.001 6 residues pruned to eliminate duplicates Z: 13 9.897 1.675 0.733 0.554 1.000 0.500 CB 0.934 13 residues pruned to eliminate duplicates Z: 22 19.574 1.843 0.324 0.870 0.952 0.857 CB 1.342 22 residues pruned to eliminate duplicates Z: 6 5.130 1.547 0.349 0.664 1.000 0.400 CB 0.945 6 residues pruned to eliminate duplicates Z: 11 7.163 1.797 0.293 0.324 0.900 0.600 CB 1.315 11 residues pruned to eliminate duplicates Z: 13 4.994 1.474 0.338 0.260 0.750 0.250 CB 1.282 Z: 6 4.829 1.736 0.326 0.757 0.800 0.400 CB 0.933 6 residues pruned to eliminate duplicates Z: 10 14.960 1.782 0.803 0.862 1.000 0.889 CA 1.140 10 residues pruned to eliminate duplicates Z: 14 17.867 1.669 0.692 0.843 1.000 0.923 CB 1.307 14 residues pruned to eliminate duplicates Z: 6 2.477 1.382 0.084 0.583 0.600 0.400 CA 1.139 Z: 22 23.374 1.887 0.564 0.893 1.000 0.905 CA 1.241 22 residues pruned to eliminate duplicates Z: 27 9.661 1.746 0.359 0.311 0.808 0.308 CB 1.219 29 residues pruned to eliminate duplicates Z: 7 6.087 1.430 0.462 0.760 1.000 0.833 CA 0.943 Z: 18 13.098 1.795 0.570 0.558 0.824 0.412 CB 1.294 17 residues pruned to eliminate duplicates Z: 13 18.315 1.706 1.167 0.919 0.917 0.917 CB 1.099 12 residues pruned to eliminate duplicates Z: 9 4.039 1.645 0.333 0.281 1.000 0.250 CB 0.834 9 residues pruned to eliminate duplicates Z: 18 13.693 1.677 0.753 0.544 0.882 0.529 CB 1.227 18 residues pruned to eliminate duplicates Z: 33 27.541 1.898 0.998 0.518 0.844 0.562 CB 1.495 33 residues pruned to eliminate duplicates 6 1.924 1.345 -0.029 0.294 1.000 0.600 CB 0.830 ? Z: 8 3.655 1.416 0.429 0.366 0.714 0.571 C 1.103 Z: 9 15.795 1.774 1.321 0.639 1.000 1.000 CA 1.191 9 residues pruned to eliminate duplicates Z: 7 6.605 1.693 0.181 0.773 1.000 0.833 CB 1.060 7 residues pruned to eliminate duplicates Z: 6 12.078 1.706 0.850 0.828 1.000 0.600 CA 1.289 6 residues pruned to eliminate duplicates Z: 24 13.299 1.796 0.489 0.409 0.913 0.522 CB 1.249 24 residues pruned to eliminate duplicates Z: 6 2.425 1.461 0.325 0.313 0.600 0.400 N 1.150 Z: 29 17.699 1.691 0.820 0.628 0.964 0.500 CB 0.999 13 residues pruned to eliminate duplicates Z: 41 30.470 1.989 0.903 0.495 0.900 0.500 CB 1.422 41 residues pruned to eliminate duplicates Z: 12 18.302 1.776 0.799 0.861 1.000 0.909 CB 1.269 12 residues pruned to eliminate duplicates Z: 12 15.106 1.899 0.834 0.393 1.000 0.455 CB 1.464 12 residues pruned to eliminate duplicates Z: 26 14.573 1.777 0.599 0.361 0.880 0.560 CB 1.353 26 residues pruned to eliminate duplicates Z: 7 7.567 1.579 1.088 0.475 0.833 0.500 CA 1.153 Z: 12 14.965 1.831 0.372 0.871 1.000 1.000 CB 1.310 12 residues pruned to eliminate duplicates Z: 7 6.111 1.502 0.202 0.901 1.000 1.000 CB 0.986 7 residues pruned to eliminate duplicates Z: 10 4.291 1.683 0.682 0.183 0.667 0.444 CB 1.109 10 residues pruned to eliminate duplicates Z: 7 7.900 1.601 0.807 0.697 1.000 0.667 CB 0.932 Z: 10 6.476 1.485 0.352 0.610 0.889 0.667 CA 1.089 Z: 9 3.333 1.539 0.419 0.383 0.750 0.500 N 0.815 9 residues pruned to eliminate duplicates Z: 12 9.754 1.768 0.481 0.561 0.909 0.273 CB 1.165 13 residues pruned to eliminate duplicates Z: 57 25.420 1.826 0.640 0.574 0.911 0.607 CB 1.159 57 residues pruned to eliminate duplicates Z: 7 7.105 1.621 0.209 0.565 1.000 0.500 CB 1.389 Z: 12 4.474 1.551 0.281 0.397 0.909 0.455 CB 0.833 12 residues pruned to eliminate duplicates Z: 7 4.061 1.453 0.534 0.533 0.833 0.667 CB 0.864 Z: 21 8.852 1.748 0.528 0.308 0.900 0.650 CA 1.019 17 residues pruned to eliminate duplicates Z: 62 18.290 1.736 0.455 0.451 0.852 0.525 CB 1.144 62 residues pruned to eliminate duplicates Z: 25 23.126 1.902 0.701 0.628 0.875 0.667 CA 1.479 25 residues pruned to eliminate duplicates Z: 13 6.536 1.555 0.566 0.394 0.667 0.500 O 1.300 11 residues pruned to eliminate duplicates Z: 38 17.941 1.797 0.606 0.563 0.919 0.649 CB 1.046 38 residues pruned to eliminate duplicates Z: 14 11.128 1.732 0.656 0.540 1.000 0.308 CB 1.035 15 residues pruned to eliminate duplicates Z: 41 21.941 1.857 0.598 0.607 0.900 0.650 CB 1.174 42 residues pruned to eliminate duplicates Z: 13 15.646 1.542 0.943 0.847 1.000 0.750 CA 1.119 13 residues pruned to eliminate duplicates Z: 6 4.997 1.683 0.152 0.822 1.000 1.000 CB 0.872 6 residues pruned to eliminate duplicates Z: 13 16.132 1.788 0.520 0.907 1.000 0.917 CB 1.219 13 residues pruned to eliminate duplicates Z: 6 8.820 1.613 0.872 0.746 0.800 0.400 CB 1.310 6 residues pruned to eliminate duplicates Z: 13 13.126 1.829 0.761 0.473 0.833 0.583 CB 1.452 13 residues pruned to eliminate duplicates Z: 35 21.488 1.878 0.691 0.450 0.912 0.706 CA 1.340 35 residues pruned to eliminate duplicates Z: 45 22.015 1.805 0.737 0.539 0.864 0.614 CB 1.179 45 residues pruned to eliminate duplicates Z: 19 12.004 1.729 0.637 0.699 0.889 0.611 CB 0.938 19 residues pruned to eliminate duplicates Z: 12 16.314 1.620 0.669 0.865 1.000 0.727 CA 1.333 12 residues pruned to eliminate duplicates Z: 6 3.002 1.659 -0.123 0.496 0.800 0.600 CB 1.158 Z: 10 2.902 1.523 0.343 0.375 0.556 0.222 CB 0.973 Z: 40 27.596 1.843 0.809 0.672 0.923 0.667 CB 1.225 35 residues pruned to eliminate duplicates Z: 7 3.786 1.518 0.616 0.332 0.667 0.333 C 1.137 Z: 8 5.322 1.667 0.377 0.520 0.857 0.714 CB 1.003 9 residues pruned to eliminate duplicates 6 1.702 1.600 0.579 0.365 0.600 0.600 CB 0.581 ? Z: 15 15.683 1.637 0.808 0.664 0.929 0.714 CA 1.309 16 residues pruned to eliminate duplicates Z: 14 11.624 1.643 0.569 0.478 1.000 0.692 CB 1.279 14 residues pruned to eliminate duplicates Z: 14 10.891 1.675 0.625 0.820 1.000 0.769 CB 0.841 14 residues pruned to eliminate duplicates Z: 21 11.514 1.690 0.688 0.379 0.850 0.550 CA 1.207 21 residues pruned to eliminate duplicates Z: 7 6.762 1.658 0.662 0.871 1.000 0.833 CB 0.731 7 residues pruned to eliminate duplicates Z: 12 19.921 1.776 0.867 0.848 1.000 0.818 CA 1.343 12 residues pruned to eliminate duplicates Z: 38 25.113 1.821 0.875 0.548 0.946 0.486 CA 1.219 37 residues pruned to eliminate duplicates Z: 21 33.208 2.005 0.907 0.907 1.000 0.700 CB 1.380 21 residues pruned to eliminate duplicates Z: 7 3.838 1.703 0.849 0.428 1.000 0.833 CB 0.536 Z: 13 20.830 1.845 0.931 0.834 1.000 0.667 CA 1.266 13 residues pruned to eliminate duplicates 7 1.025 1.571 0.217 0.769 1.000 0.667 CB 0.172 ? Z: 9 3.796 1.317 0.502 0.333 0.875 0.625 N 0.931 9 residues pruned to eliminate duplicates Z: 40 27.291 1.971 0.735 0.546 0.923 0.410 CB 1.323 40 residues pruned to eliminate duplicates Z: 62 20.549 1.745 0.616 0.481 0.852 0.557 CB 1.116 62 residues pruned to eliminate duplicates Z: 9 12.484 1.827 0.672 0.907 1.000 1.000 CB 1.027 9 residues pruned to eliminate duplicates Z: 8 10.488 1.681 0.328 0.806 1.000 0.714 CA 1.359 7 residues pruned to eliminate duplicates Z: 22 24.783 1.898 0.678 0.878 0.905 0.714 CB 1.362 22 residues pruned to eliminate duplicates Z: 18 10.471 1.700 0.651 0.454 0.941 0.588 CB 1.007 18 residues pruned to eliminate duplicates Z: 11 5.900 1.592 0.306 0.372 0.900 0.400 CB 1.143 Z: 6 4.098 1.572 0.474 0.409 0.800 0.400 N 1.088 Z: 14 4.933 1.568 0.263 0.210 0.846 0.385 CB 1.150 Z: 20 22.856 1.805 0.902 0.854 1.000 0.737 CB 1.128 20 residues pruned to eliminate duplicates Z: 40 26.471 1.903 0.806 0.509 0.897 0.615 CA 1.361 40 residues pruned to eliminate duplicates Z: 27 31.133 1.932 0.997 0.744 0.962 0.654 CB 1.323 36 residues pruned to eliminate duplicates Z: 13 15.013 1.584 0.875 0.809 0.917 0.583 CA 1.216 13 residues pruned to eliminate duplicates 7 1.770 1.352 -0.035 0.311 0.833 0.167 CB 0.820 ? Z: 11 9.658 1.749 0.511 0.551 0.900 0.600 CB 1.222 11 residues pruned to eliminate duplicates Z: 52 21.675 1.792 0.512 0.526 0.882 0.608 CB 1.237 52 residues pruned to eliminate duplicates Z: 9 12.203 1.786 0.693 0.743 1.000 0.625 CB 1.148 9 residues pruned to eliminate duplicates Z: 8 3.214 1.627 0.624 0.509 0.714 0.571 CB 0.638 8 residues pruned to eliminate duplicates Z: 11 14.150 1.863 0.983 0.408 1.000 0.600 CA 1.333 11 residues pruned to eliminate duplicates Z: 22 7.409 1.483 0.444 0.356 0.857 0.619 CB 1.029 22 residues pruned to eliminate duplicates Z: 7 5.253 1.477 0.593 0.739 0.833 0.500 CB 0.883 7 residues pruned to eliminate duplicates Z: 7 10.786 1.820 1.045 0.568 0.833 0.500 CB 1.329 6 residues pruned to eliminate duplicates Z: 24 21.836 1.982 0.744 0.378 1.000 0.391 CB 1.500 26 residues pruned to eliminate duplicates Z: 9 7.219 1.428 0.725 0.755 1.000 0.375 CB 0.826 Z: 25 10.055 1.525 0.465 0.403 0.917 0.625 CB 1.110 19 residues pruned to eliminate duplicates Z: 6 3.465 1.446 0.058 0.667 1.000 0.800 CB 0.869 6 residues pruned to eliminate duplicates Z: 27 9.607 1.668 0.636 0.413 0.846 0.500 CB 0.894 27 residues pruned to eliminate duplicates 6 1.604 1.380 0.191 0.278 0.600 0.400 N 0.934 ? Z: 24 16.142 1.726 0.771 0.525 0.870 0.609 CA 1.236 24 residues pruned to eliminate duplicates Z: 10 5.440 1.626 0.453 0.392 0.778 0.333 CB 1.107 Z: 6 4.822 1.269 0.771 0.758 0.800 0.400 CB 0.954 Z: 7 9.295 1.516 0.798 0.821 1.000 0.500 CB 1.054 Z: 8 9.023 1.662 0.961 0.848 1.000 0.857 CA 0.776 8 residues pruned to eliminate duplicates Z: 31 23.973 1.878 0.514 0.604 0.967 0.800 CB 1.443 31 residues pruned to eliminate duplicates Z: 9 7.703 1.603 0.400 0.855 0.875 0.375 CB 1.024 9 residues pruned to eliminate duplicates Z: 43 18.780 1.775 0.791 0.391 0.762 0.524 CA 1.343 43 residues pruned to eliminate duplicates Z: 11 4.095 1.424 0.547 0.264 0.700 0.400 N 1.099 Z: 12 13.389 1.743 0.483 0.647 1.000 0.818 CA 1.361 12 residues pruned to eliminate duplicates Z: 22 30.258 1.868 1.128 0.878 0.952 0.524 CB 1.266 22 residues pruned to eliminate duplicates Z: 10 7.885 1.429 0.229 0.888 1.000 0.889 CB 1.078 6 residues pruned to eliminate duplicates Z: 12 17.133 1.655 0.908 0.834 1.000 0.455 CB 1.226 12 residues pruned to eliminate duplicates Z: 35 26.455 1.906 0.852 0.535 0.912 0.529 CB 1.362 35 residues pruned to eliminate duplicates Z: 11 7.351 1.382 0.831 0.662 0.800 0.400 CB 0.988 11 residues pruned to eliminate duplicates Z: 14 10.046 1.400 0.614 0.784 0.923 0.538 N 1.041 14 residues pruned to eliminate duplicates Z: 10 7.717 1.451 1.012 0.897 1.000 0.778 CB 0.631 10 residues pruned to eliminate duplicates Z: 8 5.564 1.653 0.239 0.615 1.000 0.429 CA 0.921 8 residues pruned to eliminate duplicates Z: 16 11.634 1.773 0.839 0.266 0.800 0.533 CB 1.502 16 residues pruned to eliminate duplicates Z: 8 4.322 1.482 0.354 0.705 1.000 0.429 CB 0.676 Z: 6 5.504 1.552 0.107 0.638 1.000 0.800 N 1.259 Z: 24 13.871 1.713 0.669 0.459 0.870 0.609 CB 1.213 24 residues pruned to eliminate duplicates Z: 8 3.568 1.581 0.364 0.220 0.714 0.429 O 1.216 Z: 8 7.080 1.613 0.634 0.465 0.857 0.571 CB 1.227 Z: 14 8.440 1.682 0.457 0.477 0.769 0.692 CB 1.271 14 residues pruned to eliminate duplicates Z: 24 22.405 1.932 0.452 0.739 0.913 0.870 CB 1.472 24 residues pruned to eliminate duplicates Z: 27 17.667 1.802 0.564 0.488 0.923 0.654 CB 1.349 27 residues pruned to eliminate duplicates Z: 21 9.495 1.702 0.643 0.397 0.850 0.550 CB 0.996 21 residues pruned to eliminate duplicates Z: 22 18.863 1.805 0.961 0.565 0.810 0.476 CB 1.349 25 residues pruned to eliminate duplicates Z: 6 4.467 1.607 0.287 0.832 0.800 0.800 CB 0.906 6 residues pruned to eliminate duplicates Z: 8 2.193 1.548 0.305 0.254 0.714 0.429 CB 0.762 Z: 9 9.094 1.685 0.940 0.477 1.000 0.750 CB 1.006 9 residues pruned to eliminate duplicates Z: 21 14.566 1.898 0.747 0.442 0.850 0.450 CB 1.226 21 residues pruned to eliminate duplicates Z: 10 8.217 1.683 0.340 0.597 0.889 0.444 CB 1.245 8 residues pruned to eliminate duplicates Z: 14 13.137 1.634 0.521 0.919 1.000 0.846 CA 1.033 14 residues pruned to eliminate duplicates 6 -0.311 1.624 1.087 0.886 1.000 0.800 CB-0.030 ? Z: 37 22.536 1.871 0.909 0.513 0.917 0.500 CB 1.132 37 residues pruned to eliminate duplicates 7 1.934 1.580 0.030 0.163 0.667 0.500 CB 1.098 ? Z: 17 16.874 1.942 0.839 0.646 0.875 0.750 CB 1.178 17 residues pruned to eliminate duplicates Z: 26 16.671 1.843 0.908 0.537 0.880 0.600 CB 1.039 26 residues pruned to eliminate duplicates Z: 7 5.441 1.775 1.121 0.396 0.667 0.667 CB 0.988 Z: 6 6.834 1.572 0.847 0.556 1.000 0.800 CB 0.997 6 residues pruned to eliminate duplicates Z: 10 3.939 1.447 0.711 0.250 0.778 0.444 CB 0.909 Z: 7 3.225 1.623 0.688 0.822 1.000 0.833 CB 0.363 Z: 7 6.442 1.483 0.685 0.536 1.000 0.500 CA 1.017 11 residues pruned to eliminate duplicates Z: 36 18.975 1.798 0.642 0.457 0.857 0.543 CB 1.324 36 residues pruned to eliminate duplicates Z: 14 7.040 1.571 0.626 0.620 0.769 0.538 CB 0.888 14 residues pruned to eliminate duplicates Z: 13 14.683 1.694 0.536 0.932 1.000 0.750 CB 1.138 13 residues pruned to eliminate duplicates Z: 27 24.993 1.877 0.735 0.733 0.846 0.769 CB 1.444 27 residues pruned to eliminate duplicates Z: 8 3.391 1.671 0.255 0.290 0.714 0.143 CB 1.082 8 residues pruned to eliminate duplicates 6 1.639 1.273 0.577 0.580 0.800 0.600 CB 0.423 ? Z: 23 25.613 1.887 0.610 0.864 1.000 0.864 CB 1.317 23 residues pruned to eliminate duplicates Z: 48 26.505 1.761 0.835 0.565 0.936 0.617 CB 1.200 39 residues pruned to eliminate duplicates Z: 8 2.761 1.342 0.217 0.561 1.000 0.429 CB 0.602 8 residues pruned to eliminate duplicates Z: 24 23.360 1.791 0.881 0.721 0.957 0.652 CB 1.238 24 residues pruned to eliminate duplicates Z: 21 17.925 1.719 0.562 0.613 1.000 0.650 CB 1.341 21 residues pruned to eliminate duplicates Z: 12 8.138 1.674 0.478 0.395 0.909 0.727 CB 1.219 Z: 9 7.921 1.634 0.821 0.344 1.000 0.625 CA 1.115 9 residues pruned to eliminate duplicates Z: 9 10.982 1.801 0.966 0.510 1.000 0.875 CA 1.086 9 residues pruned to eliminate duplicates Z: 11 10.176 1.618 0.695 0.746 0.900 0.400 CA 1.046 11 residues pruned to eliminate duplicates Z: 8 7.226 1.572 0.381 0.731 0.857 0.714 N 1.192 8 residues pruned to eliminate duplicates Z: 6 4.362 1.599 -0.146 0.863 1.000 0.800 CA 1.048 6 residues pruned to eliminate duplicates Z: 25 26.635 1.890 0.928 0.633 0.917 0.750 CB 1.437 25 residues pruned to eliminate duplicates Z: 7 3.952 1.632 0.239 0.458 0.833 0.500 CB 1.000 8 residues pruned to eliminate duplicates Z: 25 24.626 1.949 0.773 0.565 0.917 0.625 CA 1.490 25 residues pruned to eliminate duplicates Z: 36 29.938 1.849 1.080 0.637 0.914 0.429 CB 1.266 40 residues pruned to eliminate duplicates Z: 40 26.304 1.881 0.926 0.434 0.897 0.513 CB 1.387 40 residues pruned to eliminate duplicates Z: 10 10.265 1.721 0.513 0.457 1.000 0.444 CB 1.373 10 residues pruned to eliminate duplicates Z: 13 11.303 1.657 0.571 0.550 0.917 0.583 CA 1.303 13 residues pruned to eliminate duplicates Z: 7 3.907 1.591 0.111 0.357 0.833 0.667 CA 1.263 Z: 23 22.667 1.873 0.790 0.802 0.909 0.682 CB 1.217 23 residues pruned to eliminate duplicates Z: 12 24.710 1.895 1.319 0.816 1.000 0.818 CA 1.289 12 residues pruned to eliminate duplicates Z: 24 14.682 1.822 0.550 0.474 0.870 0.739 CB 1.280 24 residues pruned to eliminate duplicates Z: 26 12.578 1.699 0.481 0.460 0.920 0.680 CB 1.133 26 residues pruned to eliminate duplicates Z: 32 15.717 1.693 0.745 0.430 0.839 0.452 CB 1.224 32 residues pruned to eliminate duplicates 6 1.162 1.378 -0.007 0.434 0.600 0.400 CB 0.678 ? Z: 22 24.876 1.896 0.740 0.879 0.952 0.667 CB 1.253 22 residues pruned to eliminate duplicates Z: 12 9.122 1.427 0.549 0.726 0.909 0.636 CA 1.117 12 residues pruned to eliminate duplicates Z: 13 7.815 1.685 0.760 0.372 0.833 0.583 CA 1.047 13 residues pruned to eliminate duplicates Z: 14 9.509 1.494 0.557 0.638 0.846 0.462 CB 1.176 14 residues pruned to eliminate duplicates Z: 10 8.464 1.647 0.439 0.851 0.889 0.667 CA 0.991 10 residues pruned to eliminate duplicates Z: 8 5.709 1.599 0.432 0.506 0.857 0.571 CB 1.093 Z: 13 8.284 1.675 0.544 0.451 0.833 0.417 CB 1.167 12 residues pruned to eliminate duplicates Z: 6 3.164 1.203 0.612 0.516 1.000 0.800 CB 0.718 Z: 43 28.008 1.796 0.917 0.515 0.929 0.405 CB 1.331 47 residues pruned to eliminate duplicates Z: 34 23.802 1.790 0.646 0.764 0.939 0.848 CB 1.185 41 residues pruned to eliminate duplicates Z: 11 21.706 2.017 0.725 0.934 1.000 0.900 CB 1.376 11 residues pruned to eliminate duplicates Z: 35 21.693 1.926 0.786 0.457 0.882 0.471 CB 1.281 35 residues pruned to eliminate duplicates Z: 12 6.577 1.503 0.411 0.362 0.818 0.455 O 1.327 12 residues pruned to eliminate duplicates Z: 13 13.728 1.744 0.512 0.883 1.000 0.750 CB 1.087 13 residues pruned to eliminate duplicates Z: 7 3.549 1.281 0.305 0.746 0.833 0.667 N 0.835 Z: 15 6.988 1.668 0.748 0.438 0.714 0.357 N 0.956 14 residues pruned to eliminate duplicates Z: 9 8.178 1.567 0.271 0.724 1.000 0.750 CB 1.186 9 residues pruned to eliminate duplicates Z: 6 3.544 1.370 0.689 0.294 0.800 0.600 O 1.078 Z: 23 19.692 1.799 0.532 0.855 1.000 0.545 CB 1.125 23 residues pruned to eliminate duplicates Z: 22 12.859 1.636 0.462 0.570 0.952 0.667 CB 1.152 16 residues pruned to eliminate duplicates Z: 11 15.703 1.721 0.978 0.924 0.900 0.300 CB 1.138 11 residues pruned to eliminate duplicates Z: 7 4.844 1.355 0.483 0.628 1.000 0.667 C 0.873 Z: 26 20.901 1.849 0.746 0.606 0.920 0.720 CB 1.272 26 residues pruned to eliminate duplicates Z: 14 16.373 1.750 0.494 0.865 1.000 0.846 CB 1.272 14 residues pruned to eliminate duplicates Z: 7 3.750 1.369 0.606 0.455 1.000 0.667 N 0.729 Z: 6 3.074 1.592 0.081 0.604 0.800 0.600 CB 0.905 5 residues pruned to eliminate duplicates Z: 8 8.398 1.623 0.534 0.656 1.000 0.571 CA 1.103 8 residues pruned to eliminate duplicates Z: 9 6.486 1.436 0.739 0.470 0.875 0.625 O 1.081 9 residues pruned to eliminate duplicates Z: 7 5.321 1.474 0.932 0.556 0.667 0.667 CB 1.084 6 1.385 1.393 -0.220 0.677 0.600 0.600 O 0.807 ? Z: 14 17.324 1.616 0.921 0.805 1.000 0.923 CA 1.186 14 residues pruned to eliminate duplicates Z: 7 2.496 1.492 0.568 0.235 0.667 0.500 CB 0.890 Z: 24 10.930 1.744 0.614 0.417 0.739 0.391 CB 1.194 24 residues pruned to eliminate duplicates Z: 39 35.803 1.917 0.964 0.724 0.974 0.711 CB 1.295 52 residues pruned to eliminate duplicates Z: 14 10.930 1.665 0.483 0.792 0.923 0.538 CB 1.029 14 residues pruned to eliminate duplicates Z: 6 5.129 1.425 0.623 0.474 1.000 0.400 CB 1.018 Z: 18 9.034 1.730 0.458 0.464 0.765 0.588 CB 1.178 18 residues pruned to eliminate duplicates Z: 6 4.869 1.638 -0.145 0.836 1.000 0.800 CA 1.164 6 residues pruned to eliminate duplicates Z: 6 2.303 1.513 0.117 0.712 0.800 0.600 CB 0.629 Z: 6 2.031 1.562 0.649 0.437 0.800 0.400 CB 0.470 Z: 42 29.683 1.979 0.844 0.529 0.927 0.537 CB 1.331 42 residues pruned to eliminate duplicates 6 1.593 1.315 0.090 0.359 0.600 0.400 N 0.964 ? Z: 7 3.845 1.639 -0.179 0.700 0.833 0.833 CB 1.166 7 residues pruned to eliminate duplicates Z: 42 19.839 1.829 0.595 0.464 0.927 0.537 CB 1.189 42 residues pruned to eliminate duplicates Z: 24 21.690 1.874 0.585 0.734 0.913 0.826 CA 1.351 24 residues pruned to eliminate duplicates Z: 30 20.901 1.834 0.806 0.658 0.862 0.655 CB 1.174 30 residues pruned to eliminate duplicates Z: 6 2.048 1.301 0.122 0.385 1.000 0.600 CB 0.709 1221 residues left after pruning, divided into chains as follows: A: 43 B: 12 C: 6 D: 33 E: 16 F: 15 G: 77 H: 36 I: 22 J: 10 K: 29 L: 9 M: 27 N: 41 O: 59 P: 43 Q: 54 R: 6 S: 25 T: 28 U: 23 V: 24 W: 40 X: 10 Y: 14 Z: 23 Z: 42 Z: 18 Z: 7 Z: 35 Z: 43 Z: 74 Z: 15 Z: 43 Z: 27 Z: 42 Z: 29 Z: 80 Z: 41 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 39.23 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.495, Connect. = 0.745 for dens.mod. cycle 1 = 0.300, Contrast = 0.588, Connect. = 0.771 for dens.mod. cycle 2 = 0.300, Contrast = 0.721, Connect. = 0.793 for dens.mod. cycle 3 = 0.300, Contrast = 0.745, Connect. = 0.796 for dens.mod. cycle 4 = 0.300, Contrast = 0.764, Connect. = 0.797 for dens.mod. cycle 5 = 0.300, Contrast = 0.771, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 0.778, Connect. = 0.801 for dens.mod. cycle 7 = 0.300, Contrast = 0.781, Connect. = 0.802 for dens.mod. cycle 8 = 0.300, Contrast = 0.784, Connect. = 0.802 for dens.mod. cycle 9 = 0.300, Contrast = 0.785, Connect. = 0.803 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5901 peaks > 0.5 sigma used to seed fragment search Space for about 2008 unique residues taking solvent into account 1399 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 23.217 1.959 0.711 0.927 1.000 1.000 CA 1.346 B: 12 26.456 2.126 0.827 0.896 1.000 0.909 CA 1.471 C: 24 35.072 2.023 0.732 0.863 1.000 0.739 CB 1.532 D: 12 13.863 1.960 0.737 0.906 0.909 0.818 CB 0.960 E: 14 24.204 2.006 0.726 0.860 1.000 0.923 CA 1.426 14 residues pruned to eliminate duplicates F: 13 28.923 2.073 0.980 0.863 1.000 0.750 CB 1.492 G: 11 35.073 2.224 1.112 0.914 1.000 0.900 CA 1.670 H: 42 17.236 1.849 0.582 0.354 0.927 0.390 CB 1.163 I: 29 36.819 2.054 0.990 0.686 0.964 0.571 CB 1.488 J: 13 25.959 2.097 0.709 0.873 1.000 1.000 CA 1.523 K: 12 25.965 2.132 0.817 0.847 1.000 0.818 CA 1.500 12 residues pruned to eliminate duplicates L: 14 29.131 2.045 1.329 0.823 0.923 0.769 CA 1.389 13 residues pruned to eliminate duplicates M: 15 22.740 1.998 0.602 0.862 1.000 0.857 CA 1.394 14 residues pruned to eliminate duplicates N: 14 23.095 1.924 0.952 0.828 0.923 0.769 CB 1.391 14 residues pruned to eliminate duplicates O: 43 35.014 2.074 0.697 0.554 0.952 0.619 CB 1.530 12 residues pruned to eliminate duplicates P: 23 34.088 2.090 0.717 0.885 1.000 0.864 CA 1.463 Q: 12 14.572 1.990 0.816 0.886 1.000 0.818 CB 0.877 12 residues pruned to eliminate duplicates R: 12 26.806 2.156 0.828 0.868 1.000 0.727 CA 1.498 12 residues pruned to eliminate duplicates S: 24 28.752 2.034 0.607 0.855 0.957 0.826 CA 1.416 24 residues pruned to eliminate duplicates T: 23 35.823 2.078 0.847 0.877 0.955 0.591 CB 1.515 24 residues pruned to eliminate duplicates U: 12 26.800 2.125 0.864 0.867 1.000 0.909 CA 1.492 12 residues pruned to eliminate duplicates V: 13 27.765 2.083 0.842 0.850 1.000 0.833 CA 1.548 13 residues pruned to eliminate duplicates W: 23 29.645 2.062 0.578 0.891 1.000 0.909 CA 1.396 23 residues pruned to eliminate duplicates X: 12 22.883 2.190 0.595 0.906 1.000 1.000 CA 1.405 12 residues pruned to eliminate duplicates Y: 12 26.356 2.126 0.805 0.872 1.000 1.000 CA 1.509 12 residues pruned to eliminate duplicates Z: 13 25.302 1.965 1.030 0.873 1.000 0.833 CA 1.334 Z: 17 16.868 1.868 0.967 0.390 0.875 0.500 CA 1.475 Z: 13 26.269 2.087 1.057 0.864 0.917 0.667 CA 1.413 13 residues pruned to eliminate duplicates Z: 13 27.106 2.113 0.917 0.881 1.000 0.917 CA 1.399 13 residues pruned to eliminate duplicates Z: 9 13.647 1.739 1.103 0.842 0.875 0.375 CB 1.124 Z: 14 28.065 1.936 1.007 0.871 1.000 0.769 CB 1.461 14 residues pruned to eliminate duplicates Z: 12 24.566 2.140 0.771 0.889 1.000 1.000 CA 1.407 12 residues pruned to eliminate duplicates Z: 13 26.142 1.900 1.186 0.904 0.917 0.833 CB 1.412 Z: 41 39.757 2.131 0.958 0.578 0.900 0.575 CB 1.553 12 residues pruned to eliminate duplicates Z: 23 32.980 2.061 0.656 0.883 1.000 0.864 CA 1.489 23 residues pruned to eliminate duplicates Z: 24 36.778 2.006 0.889 0.865 1.000 0.826 CB 1.482 23 residues pruned to eliminate duplicates Z: 13 25.773 2.124 0.881 0.873 1.000 0.917 CA 1.357 13 residues pruned to eliminate duplicates Z: 12 23.612 2.089 0.659 0.887 1.000 0.909 CA 1.481 12 residues pruned to eliminate duplicates Z: 12 20.604 2.139 0.607 0.843 1.000 0.818 CA 1.346 12 residues pruned to eliminate duplicates Z: 14 19.498 1.871 0.884 0.781 0.923 0.769 CA 1.298 13 residues pruned to eliminate duplicates Z: 13 29.767 2.042 1.156 0.913 1.000 0.917 CA 1.381 13 residues pruned to eliminate duplicates Z: 39 31.475 1.955 0.818 0.674 0.947 0.658 CA 1.291 28 residues pruned to eliminate duplicates Z: 34 28.897 2.003 0.596 0.702 0.939 0.727 CA 1.393 34 residues pruned to eliminate duplicates Z: 22 25.564 1.953 0.669 0.893 0.952 0.857 CB 1.290 Z: 22 34.529 2.092 0.885 0.891 0.905 0.619 CB 1.518 22 residues pruned to eliminate duplicates Z: 13 29.200 2.131 1.075 0.862 1.000 0.583 CA 1.400 13 residues pruned to eliminate duplicates Z: 12 22.323 2.110 0.529 0.859 1.000 0.818 CA 1.536 12 residues pruned to eliminate duplicates Z: 11 14.334 1.928 0.468 0.919 1.000 0.800 CB 1.129 Z: 45 34.704 1.983 0.708 0.596 0.955 0.705 CB 1.477 Z: 7 10.335 1.823 0.638 0.754 0.833 0.667 CA 1.351 Z: 12 34.247 2.152 1.229 0.899 1.000 0.818 CA 1.538 12 residues pruned to eliminate duplicates Z: 39 25.472 2.038 0.506 0.578 0.921 0.684 CA 1.356 15 residues pruned to eliminate duplicates Z: 14 26.947 2.035 1.058 0.870 1.000 0.615 CA 1.303 14 residues pruned to eliminate duplicates Z: 23 30.796 2.046 0.796 0.875 1.000 0.682 CA 1.300 Z: 29 32.428 2.097 0.960 0.549 0.893 0.571 CB 1.592 13 residues pruned to eliminate duplicates Z: 14 22.962 1.900 0.694 0.909 1.000 0.846 CA 1.405 14 residues pruned to eliminate duplicates Z: 14 22.466 2.031 0.564 0.834 1.000 0.769 CA 1.470 14 residues pruned to eliminate duplicates Z: 12 25.490 2.144 0.954 0.869 0.909 0.727 CA 1.474 12 residues pruned to eliminate duplicates Z: 11 21.826 2.016 1.193 0.925 1.000 0.800 CB 1.096 Z: 23 30.166 1.971 0.888 0.845 1.000 0.773 CA 1.285 23 residues pruned to eliminate duplicates Z: 13 22.963 2.107 0.657 0.882 1.000 0.833 CA 1.374 13 residues pruned to eliminate duplicates Z: 13 23.942 2.036 0.950 0.863 1.000 0.917 CA 1.277 13 residues pruned to eliminate duplicates Z: 14 19.066 1.821 0.861 0.895 0.923 0.923 CA 1.212 14 residues pruned to eliminate duplicates Z: 12 24.365 1.991 1.036 0.922 1.000 1.000 CB 1.274 Z: 13 26.321 2.089 0.881 0.844 1.000 0.833 CA 1.438 13 residues pruned to eliminate duplicates Z: 15 21.453 1.856 0.750 0.868 1.000 0.857 CA 1.291 15 residues pruned to eliminate duplicates Z: 15 21.071 1.824 0.637 0.860 1.000 0.714 CA 1.387 Z: 11 15.979 1.900 0.332 0.895 1.000 0.900 CA 1.432 Z: 23 35.033 2.058 0.838 0.904 1.000 0.818 CB 1.407 23 residues pruned to eliminate duplicates Z: 13 22.273 1.933 1.034 0.830 0.833 0.583 CA 1.476 13 residues pruned to eliminate duplicates Z: 12 23.180 1.970 1.155 0.840 1.000 0.636 CB 1.229 11 residues pruned to eliminate duplicates Z: 13 22.619 1.951 1.057 0.808 1.000 0.917 CA 1.244 13 residues pruned to eliminate duplicates Z: 14 18.724 2.031 0.687 0.772 0.923 0.615 CA 1.291 14 residues pruned to eliminate duplicates Z: 12 18.420 1.945 1.040 0.869 1.000 0.909 CB 1.022 Z: 12 21.827 2.115 0.714 0.846 0.909 0.727 CB 1.483 12 residues pruned to eliminate duplicates Z: 14 27.172 2.035 0.960 0.829 0.923 0.692 CA 1.540 14 residues pruned to eliminate duplicates Z: 24 32.817 1.997 1.017 0.891 0.957 0.609 CA 1.276 23 residues pruned to eliminate duplicates Z: 10 15.435 1.998 0.691 0.836 1.000 0.667 CB 1.139 10 residues pruned to eliminate duplicates Z: 14 14.847 1.745 0.654 0.816 0.923 0.769 CB 1.175 Z: 22 32.541 2.086 0.865 0.877 0.952 0.714 CA 1.393 22 residues pruned to eliminate duplicates Z: 12 23.148 2.148 0.637 0.857 1.000 0.818 CA 1.463 12 residues pruned to eliminate duplicates Z: 12 28.347 2.104 0.995 0.864 1.000 0.909 CA 1.493 12 residues pruned to eliminate duplicates Z: 9 10.955 1.615 0.719 0.672 0.875 0.375 N 1.360 Z: 9 11.836 1.706 0.888 0.672 0.875 0.375 CB 1.267 7 residues pruned to eliminate duplicates Z: 14 17.128 1.753 0.518 0.851 1.000 0.769 CA 1.321 14 residues pruned to eliminate duplicates Z: 12 13.962 1.726 0.392 0.849 1.000 0.909 CA 1.299 Z: 6 17.422 1.936 0.804 0.873 1.000 0.600 O 1.625 6 residues pruned to eliminate duplicates Z: 13 17.081 1.952 0.575 0.835 1.000 0.833 CB 1.202 13 residues pruned to eliminate duplicates Z: 13 23.257 1.826 1.194 0.849 1.000 0.917 CB 1.243 12 residues pruned to eliminate duplicates Z: 20 28.815 1.989 0.761 0.873 0.947 0.737 CB 1.451 Z: 13 21.058 2.032 0.802 0.823 0.917 0.667 CA 1.369 13 residues pruned to eliminate duplicates Z: 13 13.606 1.679 0.390 0.871 1.000 1.000 CA 1.228 11 residues pruned to eliminate duplicates Z: 12 21.901 1.897 0.893 0.882 1.000 0.727 CA 1.330 12 residues pruned to eliminate duplicates Z: 22 30.353 2.007 0.673 0.876 1.000 0.571 CB 1.434 20 residues pruned to eliminate duplicates Z: 13 13.432 1.755 0.506 0.583 1.000 0.583 CB 1.355 Z: 23 29.383 2.060 0.575 0.867 1.000 0.818 CA 1.412 23 residues pruned to eliminate duplicates Z: 12 20.724 1.899 0.674 0.899 1.000 0.909 CA 1.405 Z: 21 18.922 1.981 0.292 0.894 0.950 0.900 CA 1.249 21 residues pruned to eliminate duplicates Z: 6 3.844 1.708 0.227 0.382 0.800 0.400 CB 1.163 Z: 14 11.590 1.774 0.417 0.815 0.923 0.846 CA 1.054 Z: 24 31.615 2.020 0.828 0.867 0.957 0.652 CB 1.365 24 residues pruned to eliminate duplicates Z: 14 22.210 2.035 0.445 0.843 1.000 0.846 CA 1.559 14 residues pruned to eliminate duplicates Z: 14 24.831 1.938 0.984 0.849 1.000 0.923 CB 1.328 14 residues pruned to eliminate duplicates Z: 13 19.640 1.820 0.811 0.842 1.000 0.750 CA 1.282 13 residues pruned to eliminate duplicates Z: 14 26.537 2.061 0.786 0.853 1.000 0.769 CA 1.478 14 residues pruned to eliminate duplicates Z: 13 24.811 1.884 1.329 0.864 0.917 0.750 CB 1.305 13 residues pruned to eliminate duplicates Z: 36 25.665 1.937 0.772 0.505 0.857 0.514 CA 1.467 36 residues pruned to eliminate duplicates Z: 22 29.274 2.091 0.577 0.886 1.000 0.905 CB 1.397 22 residues pruned to eliminate duplicates Z: 47 29.051 1.959 0.719 0.579 0.891 0.609 CB 1.322 14 residues pruned to eliminate duplicates Z: 43 19.883 1.812 0.502 0.534 0.881 0.619 CB 1.238 15 residues pruned to eliminate duplicates Z: 13 21.541 1.864 0.951 0.915 0.917 0.667 CA 1.318 13 residues pruned to eliminate duplicates Z: 15 24.133 1.970 0.926 0.808 0.857 0.500 CA 1.517 15 residues pruned to eliminate duplicates Z: 12 19.183 1.826 0.840 0.924 1.000 1.000 CB 1.209 14 residues pruned to eliminate duplicates Z: 23 29.650 2.059 0.509 0.894 1.000 0.955 CB 1.460 23 residues pruned to eliminate duplicates Z: 41 26.500 1.994 0.448 0.679 0.950 0.725 CB 1.296 31 residues pruned to eliminate duplicates Z: 12 26.573 2.195 0.778 0.904 1.000 0.909 CA 1.462 12 residues pruned to eliminate duplicates Z: 10 6.736 1.574 0.479 0.260 1.000 0.556 CB 1.269 Z: 22 35.975 2.067 0.901 0.892 1.000 0.810 CB 1.435 22 residues pruned to eliminate duplicates Z: 14 18.817 1.865 0.911 0.849 0.923 0.692 CB 1.176 12 residues pruned to eliminate duplicates Z: 24 32.202 2.065 0.877 0.845 0.957 0.652 CA 1.347 24 residues pruned to eliminate duplicates Z: 23 26.474 2.021 0.550 0.884 1.000 0.955 CA 1.302 23 residues pruned to eliminate duplicates Z: 11 10.517 1.602 0.612 0.691 0.900 0.600 CA 1.201 Z: 14 25.919 2.007 0.726 0.829 0.923 0.692 CA 1.691 14 residues pruned to eliminate duplicates Z: 12 16.970 1.913 0.448 0.855 1.000 0.818 CA 1.363 12 residues pruned to eliminate duplicates Z: 7 4.478 1.569 0.372 0.416 0.833 0.833 CB 1.112 Z: 21 15.227 1.947 0.547 0.483 0.900 0.600 CB 1.278 Z: 22 39.327 2.064 1.203 0.878 0.952 0.571 CA 1.438 24 residues pruned to eliminate duplicates Z: 12 25.838 1.941 1.194 0.863 1.000 0.909 CA 1.342 13 residues pruned to eliminate duplicates Z: 23 26.213 1.951 0.618 0.875 0.955 0.818 CB 1.349 23 residues pruned to eliminate duplicates Z: 12 27.146 2.064 1.007 0.904 0.909 0.818 CA 1.549 12 residues pruned to eliminate duplicates Z: 12 28.543 2.091 0.962 0.896 0.909 0.455 N 1.653 12 residues pruned to eliminate duplicates Z: 24 28.172 2.002 0.539 0.875 1.000 0.826 CA 1.387 22 residues pruned to eliminate duplicates Z: 13 15.719 1.872 0.801 0.855 1.000 0.667 CB 0.993 19 residues pruned to eliminate duplicates Z: 24 30.289 2.000 0.708 0.865 1.000 0.565 CB 1.354 24 residues pruned to eliminate duplicates Z: 6 6.072 1.776 0.452 0.403 0.800 0.400 CB 1.459 Z: 9 9.491 1.505 0.606 0.823 0.875 0.375 O 1.199 9 residues pruned to eliminate duplicates Z: 36 18.663 1.992 0.460 0.405 0.886 0.571 CB 1.353 11 residues pruned to eliminate duplicates Z: 13 25.952 1.928 1.103 0.848 1.000 0.667 CB 1.371 12 residues pruned to eliminate duplicates Z: 19 11.323 1.713 0.536 0.463 0.889 0.611 CB 1.185 16 residues pruned to eliminate duplicates Z: 13 16.045 2.037 0.496 0.787 0.917 0.833 CA 1.289 13 residues pruned to eliminate duplicates Z: 12 21.012 1.815 0.791 0.861 1.000 0.818 CB 1.432 13 residues pruned to eliminate duplicates Z: 15 25.095 1.898 1.010 0.875 0.929 0.500 CA 1.377 15 residues pruned to eliminate duplicates Z: 19 17.959 2.006 0.953 0.324 0.889 0.556 CA 1.475 16 residues pruned to eliminate duplicates Z: 43 38.178 2.116 0.753 0.568 0.976 0.571 CB 1.523 44 residues pruned to eliminate duplicates Z: 11 16.103 1.988 1.049 0.903 0.900 0.700 CB 0.990 11 residues pruned to eliminate duplicates Z: 13 19.962 1.870 0.782 0.899 0.917 0.833 CA 1.348 13 residues pruned to eliminate duplicates Z: 20 12.881 1.875 0.573 0.540 0.895 0.632 CB 1.077 Z: 20 28.066 1.996 0.680 0.901 0.947 0.842 CA 1.447 20 residues pruned to eliminate duplicates Z: 7 14.040 1.890 0.560 0.770 1.000 0.833 CB 1.532 Z: 52 34.663 1.950 0.705 0.648 0.902 0.686 CB 1.409 52 residues pruned to eliminate duplicates Z: 23 30.192 2.020 0.772 0.848 1.000 0.818 CA 1.334 23 residues pruned to eliminate duplicates Z: 21 35.529 2.109 0.982 0.897 1.000 0.850 CA 1.361 21 residues pruned to eliminate duplicates Z: 12 25.361 2.085 0.912 0.856 0.909 0.818 CA 1.556 12 residues pruned to eliminate duplicates Z: 48 31.324 2.011 0.688 0.569 0.936 0.596 CB 1.345 48 residues pruned to eliminate duplicates Z: 23 14.142 2.006 0.685 0.369 0.818 0.455 CB 1.254 23 residues pruned to eliminate duplicates Z: 24 26.825 1.951 0.880 0.833 0.826 0.565 CB 1.385 24 residues pruned to eliminate duplicates Z: 12 18.484 1.801 0.603 0.846 1.000 0.818 CA 1.435 13 residues pruned to eliminate duplicates Z: 10 16.378 2.006 0.765 0.742 1.000 0.667 CA 1.241 10 residues pruned to eliminate duplicates Z: 34 33.867 2.013 0.864 0.686 0.939 0.545 CB 1.410 34 residues pruned to eliminate duplicates Z: 14 14.114 1.788 0.596 0.801 1.000 0.769 CA 1.054 14 residues pruned to eliminate duplicates Z: 23 24.927 2.002 0.370 0.884 1.000 0.727 CA 1.400 23 residues pruned to eliminate duplicates Z: 13 23.157 2.015 0.669 0.884 1.000 0.917 CA 1.437 13 residues pruned to eliminate duplicates Z: 24 33.275 2.023 0.921 0.837 0.957 0.696 CA 1.397 24 residues pruned to eliminate duplicates Z: 23 33.608 2.078 0.912 0.837 0.955 0.636 CB 1.414 23 residues pruned to eliminate duplicates Z: 13 24.505 1.899 1.155 0.880 0.833 0.667 CA 1.503 13 residues pruned to eliminate duplicates Z: 17 9.820 1.852 0.458 0.481 0.812 0.500 CB 1.141 Z: 37 22.793 1.883 0.667 0.477 0.917 0.639 CB 1.351 Z: 10 5.704 1.745 0.375 0.510 0.778 0.556 CB 1.010 Z: 81 41.231 1.985 0.609 0.636 0.950 0.713 CB 1.338 79 residues pruned to eliminate duplicates Z: 17 15.500 1.885 0.486 0.555 0.938 0.562 CB 1.399 17 residues pruned to eliminate duplicates Z: 23 30.615 1.964 0.749 0.882 1.000 0.818 CB 1.375 22 residues pruned to eliminate duplicates Z: 12 5.430 1.646 1.001 0.217 0.636 0.364 CB 1.089 Z: 11 15.203 1.788 0.433 0.901 1.000 0.900 CA 1.339 11 residues pruned to eliminate duplicates Z: 37 32.043 2.049 0.765 0.720 0.944 0.694 CB 1.281 35 residues pruned to eliminate duplicates Z: 12 10.077 2.002 0.533 0.520 0.818 0.545 CB 1.186 Z: 28 15.078 1.867 0.584 0.416 0.889 0.519 CB 1.205 28 residues pruned to eliminate duplicates Z: 22 25.342 1.926 0.615 0.880 1.000 0.762 CB 1.288 22 residues pruned to eliminate duplicates Z: 22 25.598 1.993 0.401 0.867 1.000 0.905 CA 1.463 22 residues pruned to eliminate duplicates Z: 9 8.473 1.836 0.225 0.642 0.875 0.625 CB 1.333 Z: 22 24.860 1.996 0.580 0.870 1.000 0.905 CA 1.256 22 residues pruned to eliminate duplicates Z: 7 8.079 1.876 0.768 0.436 0.833 0.667 CB 1.275 7 residues pruned to eliminate duplicates Z: 13 13.206 1.885 0.841 0.900 0.917 0.750 CB 0.856 13 residues pruned to eliminate duplicates Z: 22 27.352 1.985 0.553 0.875 1.000 0.810 CB 1.407 22 residues pruned to eliminate duplicates Z: 7 11.369 1.982 1.253 0.716 0.667 0.333 CB 1.282 9 residues pruned to eliminate duplicates Z: 7 7.987 1.779 0.360 0.654 0.833 0.500 O 1.402 7 residues pruned to eliminate duplicates Z: 22 37.031 2.015 1.120 0.884 1.000 0.857 CA 1.367 22 residues pruned to eliminate duplicates Z: 22 22.204 1.909 0.313 0.874 1.000 0.857 CB 1.406 22 residues pruned to eliminate duplicates Z: 42 26.566 1.960 0.626 0.510 0.902 0.683 CB 1.428 17 residues pruned to eliminate duplicates Z: 14 13.250 1.734 0.698 0.800 0.923 0.615 CB 1.040 12 residues pruned to eliminate duplicates Z: 13 20.286 1.878 0.508 0.901 1.000 1.000 CB 1.476 13 residues pruned to eliminate duplicates Z: 24 27.298 1.985 0.670 0.829 0.957 0.696 CA 1.351 24 residues pruned to eliminate duplicates Z: 14 22.952 1.995 0.732 0.855 1.000 0.923 CA 1.359 14 residues pruned to eliminate duplicates Z: 6 2.073 1.638 0.372 0.445 0.600 0.600 CB 0.728 Z: 6 2.081 1.641 0.034 0.697 1.000 0.600 CB 0.458 Z: 14 17.530 1.944 0.829 0.801 1.000 0.769 CB 1.051 15 residues pruned to eliminate duplicates Z: 40 31.767 2.005 0.823 0.516 0.949 0.462 CB 1.444 28 residues pruned to eliminate duplicates Z: 13 18.076 1.723 0.584 0.858 1.000 0.833 CA 1.408 13 residues pruned to eliminate duplicates Z: 7 8.610 1.719 0.395 0.744 0.833 0.500 N 1.414 7 residues pruned to eliminate duplicates Z: 7 2.858 1.560 0.428 0.246 0.667 0.333 CB 1.053 7 residues pruned to eliminate duplicates Z: 13 15.366 1.735 0.892 0.903 1.000 0.833 CB 0.963 11 residues pruned to eliminate duplicates Z: 13 16.378 1.813 0.596 0.876 1.000 0.833 CB 1.187 12 residues pruned to eliminate duplicates Z: 18 9.313 1.793 0.432 0.389 0.882 0.471 CB 1.122 10 residues pruned to eliminate duplicates Z: 23 21.848 1.886 0.362 0.821 0.955 0.818 CA 1.438 22 residues pruned to eliminate duplicates Z: 11 6.471 1.610 0.516 0.327 1.000 0.500 N 1.014 Z: 11 18.335 1.965 0.705 0.856 1.000 1.000 CA 1.277 11 residues pruned to eliminate duplicates Z: 19 11.270 1.740 0.460 0.569 0.889 0.611 CB 1.101 Z: 14 20.419 1.851 0.852 0.880 1.000 0.769 CB 1.198 14 residues pruned to eliminate duplicates Z: 25 16.909 1.970 0.549 0.430 0.875 0.625 CB 1.390 25 residues pruned to eliminate duplicates Z: 26 21.078 1.960 0.813 0.592 0.920 0.520 CB 1.181 13 residues pruned to eliminate duplicates Z: 23 38.738 2.042 1.243 0.869 0.955 0.727 CA 1.380 23 residues pruned to eliminate duplicates Z: 8 11.813 1.648 0.810 0.690 1.000 0.571 O 1.258 8 residues pruned to eliminate duplicates Z: 9 9.976 1.926 0.351 0.656 0.875 0.500 CA 1.341 9 residues pruned to eliminate duplicates Z: 13 15.864 1.768 0.738 0.897 1.000 0.750 CB 1.067 13 residues pruned to eliminate duplicates Z: 42 20.635 1.929 0.648 0.397 0.927 0.439 CB 1.220 38 residues pruned to eliminate duplicates Z: 31 36.125 2.079 0.797 0.749 1.000 0.667 CA 1.414 31 residues pruned to eliminate duplicates Z: 12 27.326 2.105 0.895 0.886 1.000 0.636 CB 1.490 12 residues pruned to eliminate duplicates Z: 25 30.252 2.075 0.791 0.652 0.958 0.667 CA 1.505 25 residues pruned to eliminate duplicates Z: 23 22.772 1.858 0.862 0.698 0.955 0.455 CB 1.227 22 residues pruned to eliminate duplicates Z: 31 17.128 1.939 0.487 0.544 0.933 0.533 CB 1.113 13 residues pruned to eliminate duplicates Z: 23 35.298 2.018 0.807 0.898 1.000 0.773 CA 1.476 23 residues pruned to eliminate duplicates Z: 14 18.930 1.668 0.822 0.914 1.000 0.923 CB 1.221 13 residues pruned to eliminate duplicates Z: 19 15.570 1.921 0.532 0.394 0.944 0.500 CA 1.477 19 residues pruned to eliminate duplicates Z: 11 16.725 1.787 0.486 0.888 1.000 1.000 CA 1.435 11 residues pruned to eliminate duplicates Z: 13 13.848 1.660 0.296 0.828 1.000 0.583 N 1.399 Z: 44 30.500 2.000 0.725 0.553 0.930 0.744 CB 1.377 41 residues pruned to eliminate duplicates Z: 13 13.522 1.758 0.808 0.791 0.917 0.750 CB 1.037 13 residues pruned to eliminate duplicates Z: 45 29.594 1.975 0.716 0.540 0.864 0.636 CA 1.467 45 residues pruned to eliminate duplicates Z: 41 20.621 1.916 0.587 0.448 0.925 0.650 CB 1.222 32 residues pruned to eliminate duplicates Z: 14 13.365 1.873 0.756 0.566 0.923 0.615 CB 1.145 13 residues pruned to eliminate duplicates Z: 44 36.513 2.081 0.834 0.521 0.930 0.605 CA 1.537 22 residues pruned to eliminate duplicates Z: 36 24.267 1.915 0.909 0.651 0.857 0.571 CB 1.137 40 residues pruned to eliminate duplicates Z: 20 27.841 1.964 0.887 0.863 0.947 0.789 CA 1.335 20 residues pruned to eliminate duplicates Z: 22 20.947 1.912 0.422 0.871 0.905 0.667 CB 1.356 22 residues pruned to eliminate duplicates Z: 12 25.977 1.935 1.065 0.802 1.000 0.727 CB 1.506 12 residues pruned to eliminate duplicates Z: 7 4.572 1.624 0.077 0.790 0.833 0.500 N 0.993 7 residues pruned to eliminate duplicates Z: 33 27.840 1.981 0.860 0.686 0.938 0.625 CB 1.201 33 residues pruned to eliminate duplicates Z: 11 12.836 1.931 0.435 0.903 1.000 0.900 CB 1.044 11 residues pruned to eliminate duplicates Z: 41 21.927 1.909 0.713 0.508 0.875 0.550 CB 1.202 14 residues pruned to eliminate duplicates Z: 41 17.548 1.818 0.513 0.471 0.875 0.575 CB 1.187 43 residues pruned to eliminate duplicates Z: 76 38.982 2.016 0.719 0.601 0.907 0.587 CB 1.301 76 residues pruned to eliminate duplicates Z: 14 28.498 1.836 1.137 0.884 1.000 0.769 CA 1.456 13 residues pruned to eliminate duplicates Z: 6 5.210 1.559 0.821 0.666 1.000 0.800 CA 0.704 Z: 22 32.985 2.115 0.735 0.892 1.000 0.905 CA 1.409 22 residues pruned to eliminate duplicates Z: 20 10.396 1.811 0.627 0.427 0.737 0.368 CB 1.185 20 residues pruned to eliminate duplicates Z: 39 25.677 1.964 0.633 0.573 0.921 0.658 CB 1.315 39 residues pruned to eliminate duplicates Z: 52 28.247 1.997 0.591 0.519 0.863 0.627 CA 1.417 45 residues pruned to eliminate duplicates Z: 23 28.436 1.990 0.714 0.848 1.000 0.591 CB 1.318 23 residues pruned to eliminate duplicates Z: 9 5.118 1.740 0.247 0.350 0.750 0.375 CB 1.309 Z: 8 7.704 1.721 0.088 0.874 1.000 1.000 CB 1.132 8 residues pruned to eliminate duplicates Z: 28 15.782 1.947 0.555 0.360 0.852 0.593 CA 1.370 28 residues pruned to eliminate duplicates Z: 14 24.622 1.933 1.064 0.776 1.000 0.769 CA 1.342 14 residues pruned to eliminate duplicates Z: 46 29.077 1.966 0.620 0.510 0.933 0.556 CA 1.443 45 residues pruned to eliminate duplicates Z: 22 27.135 2.003 0.643 0.862 0.952 0.667 CB 1.387 22 residues pruned to eliminate duplicates Z: 23 27.555 2.066 0.424 0.889 0.955 0.864 CA 1.506 23 residues pruned to eliminate duplicates Z: 14 20.787 1.837 0.739 0.814 1.000 0.692 CB 1.374 21 residues pruned to eliminate duplicates Z: 23 23.403 1.975 0.617 0.825 0.864 0.636 CB 1.365 23 residues pruned to eliminate duplicates Z: 41 30.446 2.000 0.766 0.593 0.875 0.650 CB 1.424 42 residues pruned to eliminate duplicates Z: 22 25.594 1.948 0.496 0.876 1.000 0.667 CB 1.394 22 residues pruned to eliminate duplicates Z: 16 6.992 1.724 0.734 0.316 0.733 0.533 CB 1.009 16 residues pruned to eliminate duplicates Z: 13 16.520 1.738 0.626 0.879 1.000 0.833 CA 1.224 13 residues pruned to eliminate duplicates Z: 22 25.008 1.873 0.488 0.877 0.952 0.857 CB 1.493 22 residues pruned to eliminate duplicates Z: 21 20.804 1.841 0.383 0.887 1.000 0.900 CB 1.318 21 residues pruned to eliminate duplicates Z: 46 32.337 2.033 0.747 0.586 0.911 0.711 CB 1.371 46 residues pruned to eliminate duplicates Z: 13 16.715 1.913 0.824 0.826 1.000 0.917 CB 1.043 13 residues pruned to eliminate duplicates Z: 12 25.909 1.917 1.421 0.870 1.000 0.818 CB 1.229 12 residues pruned to eliminate duplicates Z: 21 21.741 1.843 0.391 0.942 1.000 0.850 CA 1.315 21 residues pruned to eliminate duplicates Z: 7 10.404 1.675 0.666 0.760 0.833 0.667 CA 1.449 7 residues pruned to eliminate duplicates Z: 12 14.406 1.751 0.316 0.854 1.000 0.909 CB 1.392 13 residues pruned to eliminate duplicates Z: 6 5.604 1.845 0.097 0.686 0.800 0.600 CA 1.304 3 residues pruned to eliminate duplicates Z: 23 27.224 1.984 0.720 0.844 0.955 0.773 CA 1.326 23 residues pruned to eliminate duplicates Z: 10 9.904 1.951 0.475 0.915 1.000 0.889 CB 0.810 10 residues pruned to eliminate duplicates Z: 40 34.431 2.080 0.945 0.493 0.897 0.487 CB 1.528 40 residues pruned to eliminate duplicates Z: 9 4.041 1.647 0.166 0.443 0.750 0.375 CA 1.052 9 residues pruned to eliminate duplicates Z: 23 38.364 2.075 0.853 0.886 1.000 0.591 CA 1.535 23 residues pruned to eliminate duplicates Z: 21 17.264 1.996 0.225 0.722 0.950 0.850 CA 1.360 18 residues pruned to eliminate duplicates Z: 16 15.199 1.795 0.717 0.673 0.933 0.533 CB 1.164 16 residues pruned to eliminate duplicates Z: 10 9.672 1.719 0.471 0.706 1.000 0.889 CA 1.058 10 residues pruned to eliminate duplicates Z: 6 5.405 1.568 0.567 0.541 0.800 0.600 CB 1.181 Z: 14 6.396 1.771 0.269 0.275 0.769 0.308 CB 1.324 Z: 44 31.401 2.067 0.780 0.500 0.930 0.581 CB 1.399 44 residues pruned to eliminate duplicates Z: 7 15.911 1.872 0.771 0.701 1.000 0.500 CA 1.632 7 residues pruned to eliminate duplicates Z: 43 27.799 2.025 0.720 0.482 0.905 0.476 CB 1.387 43 residues pruned to eliminate duplicates Z: 11 13.410 1.603 0.724 0.849 1.000 0.600 CA 1.138 14 residues pruned to eliminate duplicates Z: 13 23.548 1.865 1.002 0.879 1.000 1.000 CA 1.320 13 residues pruned to eliminate duplicates Z: 47 15.711 1.763 0.638 0.319 0.870 0.435 CB 1.126 23 residues pruned to eliminate duplicates Z: 11 15.476 1.958 0.778 0.839 1.000 0.700 CB 1.050 11 residues pruned to eliminate duplicates Z: 13 11.047 1.861 0.221 0.603 1.000 0.667 CA 1.273 13 residues pruned to eliminate duplicates Z: 14 16.853 1.781 0.571 0.875 1.000 0.846 CB 1.214 14 residues pruned to eliminate duplicates Z: 25 15.217 1.784 0.565 0.419 0.958 0.542 CA 1.264 30 residues pruned to eliminate duplicates Z: 42 30.927 1.972 0.648 0.578 0.927 0.732 CB 1.488 42 residues pruned to eliminate duplicates Z: 11 11.650 1.727 0.258 0.924 1.000 1.000 CA 1.191 11 residues pruned to eliminate duplicates Z: 24 31.586 1.997 0.775 0.874 1.000 0.739 CB 1.352 24 residues pruned to eliminate duplicates Z: 10 11.661 1.788 0.228 0.755 1.000 0.889 CA 1.411 10 residues pruned to eliminate duplicates Z: 30 34.062 2.001 1.014 0.601 0.966 0.552 CB 1.476 14 residues pruned to eliminate duplicates Z: 21 32.147 2.074 0.814 0.888 1.000 0.900 CA 1.376 21 residues pruned to eliminate duplicates Z: 9 10.355 1.784 0.428 0.644 1.000 0.625 CB 1.256 9 residues pruned to eliminate duplicates Z: 45 30.376 1.922 0.614 0.597 0.932 0.705 CB 1.444 45 residues pruned to eliminate duplicates Z: 23 30.486 1.958 0.857 0.850 1.000 0.773 CA 1.323 23 residues pruned to eliminate duplicates Z: 10 7.386 1.663 0.355 0.646 1.000 0.667 CA 0.954 10 residues pruned to eliminate duplicates Z: 8 19.648 1.934 1.165 0.763 1.000 0.571 CA 1.404 8 residues pruned to eliminate duplicates Z: 22 28.448 2.063 0.425 0.907 1.000 0.905 CA 1.502 22 residues pruned to eliminate duplicates Z: 24 14.097 1.817 0.567 0.347 0.826 0.391 CB 1.475 24 residues pruned to eliminate duplicates Z: 14 15.283 1.794 0.943 0.865 1.000 0.846 CB 0.890 14 residues pruned to eliminate duplicates Z: 21 31.347 2.067 0.861 0.832 0.950 0.750 CB 1.440 21 residues pruned to eliminate duplicates Z: 27 14.866 1.840 0.613 0.390 0.885 0.538 CB 1.247 27 residues pruned to eliminate duplicates Z: 27 28.635 2.003 0.773 0.681 0.923 0.692 CB 1.451 27 residues pruned to eliminate duplicates Z: 69 29.389 1.884 0.698 0.438 0.868 0.529 CB 1.369 68 residues pruned to eliminate duplicates Z: 42 21.039 1.892 0.421 0.503 0.927 0.732 CB 1.314 12 residues pruned to eliminate duplicates Z: 6 3.979 1.672 0.776 0.643 1.000 0.400 CB 0.524 Z: 23 11.010 1.781 0.295 0.468 0.909 0.500 CB 1.157 Z: 12 12.207 1.837 0.877 0.398 0.909 0.727 CB 1.307 11 residues pruned to eliminate duplicates Z: 25 13.740 1.891 0.590 0.441 0.875 0.583 CB 1.134 22 residues pruned to eliminate duplicates Z: 13 16.552 1.698 0.439 0.894 1.000 0.667 CB 1.403 12 residues pruned to eliminate duplicates Z: 13 16.500 1.934 0.729 0.830 1.000 0.750 CB 1.071 13 residues pruned to eliminate duplicates Z: 24 27.443 2.046 0.464 0.884 1.000 0.826 CA 1.381 24 residues pruned to eliminate duplicates Z: 10 12.286 1.592 0.927 0.723 0.889 0.667 CB 1.228 10 residues pruned to eliminate duplicates Z: 41 30.469 1.987 0.916 0.484 0.925 0.575 CB 1.391 40 residues pruned to eliminate duplicates Z: 51 30.732 1.916 0.692 0.576 0.960 0.680 CB 1.298 52 residues pruned to eliminate duplicates Z: 14 16.456 1.771 0.497 0.895 1.000 0.769 CB 1.234 14 residues pruned to eliminate duplicates Z: 22 29.572 2.002 0.683 0.873 1.000 0.810 CB 1.395 22 residues pruned to eliminate duplicates Z: 48 29.969 1.978 0.779 0.515 0.894 0.574 CB 1.370 48 residues pruned to eliminate duplicates Z: 9 6.157 1.695 0.324 0.377 1.000 0.500 CB 1.106 Z: 6 8.393 1.837 0.164 0.837 1.000 0.400 CB 1.313 6 residues pruned to eliminate duplicates Z: 8 5.648 1.569 0.526 0.530 0.857 0.857 CB 1.010 Z: 29 12.570 1.840 0.302 0.425 0.821 0.500 CB 1.305 24 residues pruned to eliminate duplicates Z: 11 20.094 1.970 0.610 0.831 1.000 0.800 CA 1.505 11 residues pruned to eliminate duplicates Z: 7 3.309 1.506 0.265 0.275 0.833 0.667 N 1.098 Z: 9 7.913 1.785 0.604 0.358 1.000 0.500 CB 1.139 Z: 22 16.160 2.085 0.526 0.342 0.857 0.429 CB 1.536 22 residues pruned to eliminate duplicates Z: 75 47.409 2.017 0.834 0.608 0.946 0.554 CB 1.422 75 residues pruned to eliminate duplicates Z: 43 25.728 1.902 0.551 0.574 0.929 0.619 CB 1.349 43 residues pruned to eliminate duplicates Z: 16 11.305 1.776 0.533 0.593 0.867 0.400 CB 1.132 16 residues pruned to eliminate duplicates Z: 20 17.062 1.976 0.574 0.428 0.895 0.579 CA 1.515 20 residues pruned to eliminate duplicates Z: 7 9.689 1.853 0.630 0.546 0.833 0.667 CB 1.502 Z: 15 11.552 1.781 0.412 0.417 1.000 0.500 CB 1.338 15 residues pruned to eliminate duplicates Z: 35 32.144 2.022 0.699 0.685 0.971 0.676 CB 1.395 35 residues pruned to eliminate duplicates Z: 13 10.411 1.806 0.672 0.593 0.917 0.583 CB 0.993 13 residues pruned to eliminate duplicates Z: 23 30.440 1.988 0.634 0.870 1.000 0.636 CB 1.458 23 residues pruned to eliminate duplicates Z: 36 25.535 1.855 0.486 0.687 1.000 0.800 CB 1.320 23 residues pruned to eliminate duplicates Z: 20 14.099 1.841 0.601 0.330 0.947 0.474 CB 1.395 20 residues pruned to eliminate duplicates Z: 49 24.296 1.839 0.646 0.441 0.896 0.604 CB 1.374 37 residues pruned to eliminate duplicates Z: 22 33.395 1.980 1.058 0.872 1.000 0.714 CB 1.304 22 residues pruned to eliminate duplicates Z: 22 15.624 1.883 0.515 0.590 0.905 0.476 CB 1.212 22 residues pruned to eliminate duplicates Z: 22 22.884 1.952 0.397 0.885 0.952 0.762 CB 1.389 22 residues pruned to eliminate duplicates Z: 8 7.864 1.626 0.135 0.855 1.000 0.857 N 1.189 6 residues pruned to eliminate duplicates Z: 20 24.323 2.033 0.528 0.856 1.000 0.842 CA 1.325 20 residues pruned to eliminate duplicates Z: 44 30.154 1.970 0.800 0.568 0.953 0.651 CB 1.274 44 residues pruned to eliminate duplicates Z: 16 8.700 1.718 0.421 0.556 0.867 0.467 CB 1.005 16 residues pruned to eliminate duplicates Z: 46 22.673 1.896 0.699 0.498 0.867 0.533 CB 1.213 52 residues pruned to eliminate duplicates Z: 11 9.082 1.665 0.592 0.494 0.900 0.500 CB 1.212 Z: 13 10.482 1.611 0.646 0.780 0.833 0.750 CB 1.069 13 residues pruned to eliminate duplicates Z: 15 16.111 1.731 0.662 0.854 0.929 0.714 CA 1.190 15 residues pruned to eliminate duplicates Z: 10 10.721 1.911 0.613 0.582 0.778 0.556 CB 1.378 10 residues pruned to eliminate duplicates Z: 26 11.486 1.826 0.499 0.397 0.800 0.560 CB 1.170 26 residues pruned to eliminate duplicates Z: 15 15.144 1.712 0.745 0.804 0.929 0.857 CA 1.119 15 residues pruned to eliminate duplicates Z: 22 24.046 2.035 0.296 0.906 1.000 0.952 CA 1.415 22 residues pruned to eliminate duplicates Z: 30 32.318 2.011 0.992 0.608 0.966 0.448 CB 1.400 30 residues pruned to eliminate duplicates Z: 21 20.034 1.943 0.369 0.871 1.000 0.900 CB 1.229 21 residues pruned to eliminate duplicates Z: 23 23.885 1.955 0.376 0.890 1.000 0.727 CA 1.362 23 residues pruned to eliminate duplicates Z: 11 14.597 1.645 0.623 0.790 1.000 0.800 CA 1.340 11 residues pruned to eliminate duplicates Z: 23 21.870 1.981 0.802 0.659 0.818 0.636 CB 1.378 27 residues pruned to eliminate duplicates Z: 6 4.373 1.652 0.360 0.760 1.000 1.000 CB 0.691 Z: 7 5.030 1.596 0.844 0.407 0.667 0.500 CB 1.154 Z: 16 6.167 1.652 0.520 0.190 0.733 0.400 CB 1.253 3 residues pruned to eliminate duplicates Z: 41 36.113 2.097 0.915 0.546 0.925 0.550 CB 1.470 41 residues pruned to eliminate duplicates Z: 16 8.149 1.793 0.413 0.410 0.867 0.467 CB 1.054 13 residues pruned to eliminate duplicates Z: 9 8.567 1.787 0.599 0.379 0.875 0.500 CB 1.377 Z: 7 9.184 1.769 0.949 0.681 0.667 0.333 CA 1.382 7 residues pruned to eliminate duplicates Z: 16 7.183 1.694 0.572 0.394 0.933 0.600 CB 0.835 16 residues pruned to eliminate duplicates Z: 12 3.997 1.518 0.262 0.259 0.909 0.455 CB 0.912 Z: 11 9.527 1.981 0.687 0.288 0.900 0.600 CB 1.272 11 residues pruned to eliminate duplicates Z: 14 18.694 1.751 0.648 0.866 1.000 0.769 CA 1.315 14 residues pruned to eliminate duplicates Z: 36 23.037 2.019 0.631 0.481 0.886 0.714 CB 1.362 37 residues pruned to eliminate duplicates Z: 34 20.892 1.968 0.399 0.499 0.939 0.667 CB 1.408 34 residues pruned to eliminate duplicates Z: 11 14.505 1.776 0.730 0.919 1.000 0.900 CA 1.052 11 residues pruned to eliminate duplicates Z: 12 21.264 1.808 0.856 0.862 1.000 0.818 CA 1.403 12 residues pruned to eliminate duplicates Z: 13 27.617 1.967 1.241 0.878 1.000 0.917 CA 1.313 13 residues pruned to eliminate duplicates Z: 7 9.852 1.728 0.964 0.644 0.833 0.667 CB 1.244 13 residues pruned to eliminate duplicates Z: 14 9.309 1.638 0.570 0.460 0.923 0.692 CA 1.133 Z: 23 29.453 2.018 0.500 0.892 1.000 0.727 CA 1.490 23 residues pruned to eliminate duplicates Z: 11 15.545 1.602 0.902 0.868 0.900 0.900 N 1.311 Z: 24 12.725 1.889 0.424 0.466 0.957 0.522 CB 1.068 24 residues pruned to eliminate duplicates Z: 40 36.114 2.047 0.754 0.625 0.974 0.667 CB 1.469 39 residues pruned to eliminate duplicates Z: 20 11.708 1.932 0.752 0.400 0.789 0.526 CB 1.117 17 residues pruned to eliminate duplicates Z: 13 8.490 1.518 0.591 0.829 0.917 0.750 CA 0.833 13 residues pruned to eliminate duplicates Z: 12 16.893 1.759 0.486 0.910 1.000 0.909 CB 1.382 12 residues pruned to eliminate duplicates Z: 23 22.587 2.005 0.493 0.858 1.000 0.864 CA 1.185 23 residues pruned to eliminate duplicates Z: 6 4.385 1.590 0.835 0.765 0.800 0.600 CB 0.664 6 residues pruned to eliminate duplicates Z: 14 16.114 1.996 0.523 0.676 0.846 0.615 CB 1.478 14 residues pruned to eliminate duplicates Z: 24 23.864 1.918 0.829 0.767 0.957 0.609 CB 1.171 24 residues pruned to eliminate duplicates Z: 27 20.436 1.952 0.689 0.409 0.885 0.500 CB 1.511 28 residues pruned to eliminate duplicates Z: 8 5.392 1.913 0.238 0.414 0.857 0.429 CB 1.099 8 residues pruned to eliminate duplicates Z: 15 12.071 1.724 0.652 0.672 0.786 0.571 CA 1.230 15 residues pruned to eliminate duplicates Z: 22 31.951 2.088 0.693 0.884 1.000 0.857 CB 1.425 22 residues pruned to eliminate duplicates Z: 57 32.403 2.004 0.733 0.469 0.893 0.625 CA 1.441 51 residues pruned to eliminate duplicates Z: 12 10.757 1.884 0.422 0.545 0.818 0.364 CB 1.416 12 residues pruned to eliminate duplicates Z: 45 30.551 1.974 0.707 0.541 0.932 0.568 CB 1.409 45 residues pruned to eliminate duplicates Z: 14 13.006 1.815 0.780 0.581 0.846 0.692 CB 1.221 14 residues pruned to eliminate duplicates Z: 28 25.109 1.890 0.745 0.689 0.963 0.593 CB 1.280 28 residues pruned to eliminate duplicates Z: 11 13.772 1.888 0.834 0.910 0.900 0.900 CB 0.991 11 residues pruned to eliminate duplicates Z: 30 32.870 2.049 1.047 0.693 0.897 0.517 CB 1.360 30 residues pruned to eliminate duplicates Z: 40 25.262 1.949 0.752 0.509 0.923 0.692 CB 1.272 41 residues pruned to eliminate duplicates Z: 11 10.821 1.780 0.696 0.581 0.900 0.700 CB 1.165 11 residues pruned to eliminate duplicates Z: 25 17.211 1.910 0.549 0.575 0.917 0.667 CB 1.205 26 residues pruned to eliminate duplicates Z: 40 38.278 2.074 0.983 0.537 0.974 0.564 CB 1.475 40 residues pruned to eliminate duplicates Z: 17 11.500 1.826 0.493 0.377 0.938 0.625 CB 1.283 17 residues pruned to eliminate duplicates Z: 12 18.371 1.920 0.566 0.926 1.000 0.909 CB 1.292 12 residues pruned to eliminate duplicates Z: 7 5.829 1.797 0.403 0.623 0.833 0.833 CB 1.009 7 residues pruned to eliminate duplicates Z: 40 25.579 1.980 0.541 0.512 0.949 0.615 CB 1.398 40 residues pruned to eliminate duplicates Z: 29 16.004 1.867 0.522 0.414 0.929 0.679 CB 1.254 29 residues pruned to eliminate duplicates Z: 16 10.096 1.763 0.340 0.491 0.933 0.533 CB 1.193 16 residues pruned to eliminate duplicates Z: 29 22.644 1.920 0.791 0.429 0.929 0.643 CB 1.443 29 residues pruned to eliminate duplicates Z: 13 17.037 1.870 0.856 0.845 1.000 0.750 CB 1.053 13 residues pruned to eliminate duplicates Z: 10 7.188 1.900 0.645 0.287 0.778 0.556 CB 1.252 10 residues pruned to eliminate duplicates Z: 15 10.191 1.795 0.289 0.543 0.929 0.786 CB 1.215 15 residues pruned to eliminate duplicates Z: 10 11.310 1.539 0.729 0.881 0.889 0.778 CB 1.155 10 residues pruned to eliminate duplicates Z: 11 20.152 1.904 0.660 0.868 1.000 0.700 CA 1.474 11 residues pruned to eliminate duplicates Z: 12 15.854 1.721 0.552 0.884 1.000 0.818 CB 1.293 12 residues pruned to eliminate duplicates Z: 13 19.609 1.865 0.698 0.882 1.000 0.750 CA 1.293 13 residues pruned to eliminate duplicates Z: 13 22.125 1.884 1.014 0.802 1.000 0.500 CB 1.292 13 residues pruned to eliminate duplicates Z: 24 32.167 2.024 0.680 0.871 1.000 0.739 CB 1.439 24 residues pruned to eliminate duplicates Z: 37 31.074 2.053 0.971 0.431 0.917 0.583 CA 1.499 37 residues pruned to eliminate duplicates Z: 7 4.901 1.510 1.191 0.503 0.833 0.667 CB 0.724 Z: 13 3.918 1.614 0.045 0.277 0.750 0.417 CB 1.151 Z: 12 13.450 1.659 0.512 0.906 1.000 1.000 CB 1.149 12 residues pruned to eliminate duplicates Z: 43 32.653 2.093 0.849 0.542 0.905 0.429 CB 1.381 43 residues pruned to eliminate duplicates Z: 27 13.894 1.840 0.508 0.519 0.846 0.500 CB 1.138 27 residues pruned to eliminate duplicates Z: 36 14.364 1.847 0.478 0.333 0.829 0.543 CB 1.289 37 residues pruned to eliminate duplicates Z: 24 20.088 1.928 0.836 0.640 0.913 0.609 CB 1.137 24 residues pruned to eliminate duplicates Z: 11 5.738 1.474 0.544 0.551 0.800 0.700 CB 0.948 Z: 20 23.816 2.010 0.436 0.895 1.000 0.947 CA 1.357 20 residues pruned to eliminate duplicates Z: 37 25.390 1.933 0.567 0.585 0.944 0.639 CB 1.363 37 residues pruned to eliminate duplicates Z: 41 27.387 1.988 0.832 0.442 0.900 0.475 CB 1.402 38 residues pruned to eliminate duplicates Z: 11 15.296 1.917 0.613 0.796 1.000 0.800 CA 1.206 11 residues pruned to eliminate duplicates Z: 10 5.995 1.586 0.404 0.500 0.889 0.444 CB 1.010 7 residues pruned to eliminate duplicates Z: 8 7.364 1.687 0.842 0.672 0.714 0.429 CB 1.070 8 residues pruned to eliminate duplicates Z: 23 24.763 1.922 0.494 0.810 1.000 0.727 CB 1.404 23 residues pruned to eliminate duplicates Z: 6 4.621 1.598 0.494 0.452 1.000 0.800 CB 0.910 Z: 11 5.846 1.583 0.261 0.386 0.900 0.500 CB 1.161 11 residues pruned to eliminate duplicates Z: 7 10.742 1.828 0.400 0.863 1.000 1.000 CB 1.257 7 residues pruned to eliminate duplicates Z: 76 46.361 2.021 0.868 0.591 0.907 0.600 CB 1.433 77 residues pruned to eliminate duplicates Z: 13 18.691 1.975 0.676 0.830 1.000 0.750 CA 1.226 13 residues pruned to eliminate duplicates Z: 23 23.557 1.944 0.452 0.879 1.000 0.773 CA 1.290 23 residues pruned to eliminate duplicates Z: 24 28.066 1.989 0.711 0.867 1.000 0.826 CA 1.258 24 residues pruned to eliminate duplicates Z: 14 9.372 1.933 0.274 0.433 0.923 0.538 CB 1.226 14 residues pruned to eliminate duplicates 6 1.330 1.046 0.621 0.216 0.800 0.200 N 0.613 ? Z: 24 29.392 1.989 0.810 0.853 0.913 0.478 CA 1.379 24 residues pruned to eliminate duplicates Z: 23 33.641 2.023 0.837 0.876 0.955 0.545 CA 1.469 23 residues pruned to eliminate duplicates Z: 13 9.034 1.612 0.811 0.747 0.833 0.667 CB 0.859 13 residues pruned to eliminate duplicates Z: 17 13.452 1.760 0.758 0.440 0.938 0.562 CA 1.234 17 residues pruned to eliminate duplicates Z: 22 24.725 1.986 0.403 0.910 1.000 0.952 CB 1.374 22 residues pruned to eliminate duplicates Z: 19 26.793 1.842 0.939 0.756 0.944 0.722 CA 1.491 19 residues pruned to eliminate duplicates Z: 46 29.351 1.960 0.696 0.529 0.933 0.622 CA 1.371 46 residues pruned to eliminate duplicates Z: 11 7.661 1.612 0.462 0.732 0.700 0.500 CA 1.192 12 residues pruned to eliminate duplicates Z: 6 2.016 1.340 0.232 0.462 0.800 0.800 CB 0.710 Z: 9 8.901 1.511 0.675 0.678 0.875 0.375 CA 1.206 9 residues pruned to eliminate duplicates Z: 8 4.874 1.543 0.669 0.412 0.857 0.714 N 0.915 Z: 41 21.147 1.848 0.682 0.439 0.925 0.575 CB 1.239 41 residues pruned to eliminate duplicates Z: 37 20.816 1.913 0.655 0.443 0.889 0.528 CB 1.307 37 residues pruned to eliminate duplicates Z: 21 9.877 1.847 0.521 0.356 0.800 0.600 CB 1.147 21 residues pruned to eliminate duplicates 6 0.983 1.229 0.126 0.388 0.600 0.400 CB 0.596 ? Z: 15 12.518 1.898 0.852 0.385 0.786 0.571 CA 1.369 16 residues pruned to eliminate duplicates Z: 24 25.861 1.923 0.475 0.896 1.000 0.870 CA 1.362 24 residues pruned to eliminate duplicates Z: 49 26.976 1.945 0.530 0.625 0.917 0.667 CB 1.270 49 residues pruned to eliminate duplicates Z: 12 12.458 1.870 0.587 0.878 0.909 0.727 CB 1.010 12 residues pruned to eliminate duplicates Z: 23 25.734 1.917 0.623 0.830 0.955 0.773 CB 1.389 30 residues pruned to eliminate duplicates Z: 30 27.105 2.001 0.799 0.627 0.897 0.690 CB 1.384 33 residues pruned to eliminate duplicates Z: 22 11.821 1.865 0.534 0.415 0.857 0.571 CB 1.150 22 residues pruned to eliminate duplicates Z: 15 4.881 1.550 0.601 0.298 0.643 0.429 CB 1.025 Z: 14 21.003 1.845 0.757 0.868 0.923 0.692 CA 1.423 14 residues pruned to eliminate duplicates Z: 22 13.082 1.994 0.532 0.341 0.810 0.381 CB 1.373 22 residues pruned to eliminate duplicates Z: 21 13.382 1.959 0.636 0.397 0.900 0.350 CB 1.156 21 residues pruned to eliminate duplicates Z: 8 3.480 1.616 0.236 0.345 0.714 0.429 CB 1.091 Z: 25 11.189 1.737 0.557 0.334 0.833 0.667 CB 1.214 13 residues pruned to eliminate duplicates Z: 7 10.532 1.765 0.634 0.848 0.833 0.833 CB 1.327 7 residues pruned to eliminate duplicates Z: 41 29.554 2.030 0.792 0.442 0.900 0.525 CA 1.515 41 residues pruned to eliminate duplicates Z: 31 18.421 1.804 0.620 0.444 0.900 0.567 CB 1.354 31 residues pruned to eliminate duplicates Z: 10 7.671 1.640 0.759 0.469 0.889 0.556 CA 1.030 10 residues pruned to eliminate duplicates Z: 38 28.960 1.963 0.731 0.582 0.892 0.568 CB 1.452 38 residues pruned to eliminate duplicates Z: 26 10.030 1.593 0.524 0.448 0.880 0.360 CB 0.990 26 residues pruned to eliminate duplicates Z: 10 11.947 1.820 0.664 0.929 1.000 0.556 CB 0.920 10 residues pruned to eliminate duplicates Z: 9 10.123 1.826 0.590 0.563 1.000 0.750 CA 1.160 9 residues pruned to eliminate duplicates Z: 22 35.628 2.098 0.938 0.887 1.000 0.905 CA 1.378 22 residues pruned to eliminate duplicates Z: 9 10.733 1.720 0.625 0.891 0.875 0.875 CA 1.116 9 residues pruned to eliminate duplicates Z: 8 5.028 1.534 0.772 0.513 0.857 0.857 CB 0.806 3 residues pruned to eliminate duplicates Z: 13 15.726 1.897 0.418 0.887 1.000 1.000 CB 1.217 13 residues pruned to eliminate duplicates Z: 37 23.281 1.891 0.557 0.606 0.917 0.750 CB 1.301 37 residues pruned to eliminate duplicates Z: 7 6.121 1.647 0.760 0.538 0.833 0.833 CA 0.997 Z: 15 22.655 1.819 0.724 0.880 1.000 0.929 CA 1.399 15 residues pruned to eliminate duplicates Z: 58 29.529 1.941 0.749 0.517 0.877 0.526 CB 1.292 58 residues pruned to eliminate duplicates Z: 11 6.069 1.385 0.496 0.687 0.800 0.500 O 0.976 11 residues pruned to eliminate duplicates Z: 41 37.926 2.124 0.899 0.542 0.975 0.475 CB 1.463 41 residues pruned to eliminate duplicates Z: 11 14.711 1.956 0.314 0.891 1.000 0.900 CB 1.301 11 residues pruned to eliminate duplicates Z: 11 11.481 1.642 0.565 0.825 0.900 0.900 CA 1.184 11 residues pruned to eliminate duplicates Z: 10 12.287 1.831 0.937 0.498 0.889 0.444 CB 1.301 14 residues pruned to eliminate duplicates Z: 34 10.824 1.710 0.332 0.371 0.818 0.576 CB 1.161 34 residues pruned to eliminate duplicates Z: 6 6.573 1.805 0.282 0.796 0.800 0.200 CA 1.225 6 residues pruned to eliminate duplicates Z: 13 14.631 1.766 0.555 0.893 1.000 0.750 CA 1.104 13 residues pruned to eliminate duplicates Z: 24 19.213 1.981 0.679 0.597 0.870 0.696 CB 1.263 24 residues pruned to eliminate duplicates Z: 13 22.625 1.932 0.691 0.862 1.000 0.833 CB 1.468 13 residues pruned to eliminate duplicates Z: 38 18.704 1.874 0.425 0.478 0.946 0.622 CB 1.244 38 residues pruned to eliminate duplicates Z: 26 23.816 1.945 0.834 0.558 0.920 0.480 CB 1.372 26 residues pruned to eliminate duplicates Z: 7 2.794 1.516 0.259 0.263 0.833 0.667 CB 0.940 Z: 7 12.238 1.753 0.720 0.882 1.000 0.667 CA 1.199 7 residues pruned to eliminate duplicates Z: 43 33.238 2.056 0.876 0.521 0.929 0.500 CB 1.403 41 residues pruned to eliminate duplicates Z: 22 20.311 1.911 0.263 0.899 0.905 0.810 CB 1.451 22 residues pruned to eliminate duplicates Z: 8 6.599 1.740 0.388 0.472 0.857 0.714 O 1.238 Z: 10 10.495 1.728 0.832 0.681 0.889 0.556 CA 1.053 10 residues pruned to eliminate duplicates Z: 12 16.733 1.702 0.548 0.822 1.000 0.727 CA 1.449 12 residues pruned to eliminate duplicates Z: 23 24.018 1.935 0.651 0.864 0.909 0.773 CB 1.293 23 residues pruned to eliminate duplicates Z: 6 7.424 1.844 0.299 0.784 0.800 0.400 CB 1.349 6 residues pruned to eliminate duplicates Z: 6 2.758 1.372 0.429 0.490 0.800 0.800 N 0.794 Z: 10 4.842 1.492 0.537 0.505 0.778 0.667 CB 0.901 Z: 15 15.058 1.893 0.201 0.884 0.929 0.643 CB 1.378 15 residues pruned to eliminate duplicates Z: 9 11.248 1.864 0.517 0.682 1.000 0.500 CA 1.190 9 residues pruned to eliminate duplicates Z: 41 35.499 2.096 0.885 0.498 0.925 0.550 CB 1.538 41 residues pruned to eliminate duplicates Z: 23 27.225 2.062 0.605 0.880 0.955 0.818 CA 1.332 23 residues pruned to eliminate duplicates Z: 39 18.414 1.973 0.568 0.375 0.842 0.579 CB 1.310 39 residues pruned to eliminate duplicates Z: 6 5.087 1.622 1.131 0.476 0.800 0.800 CB 0.843 Z: 10 14.733 1.666 0.662 0.908 1.000 0.333 CB 1.260 10 residues pruned to eliminate duplicates Z: 41 19.059 1.859 0.423 0.455 0.950 0.725 CB 1.255 57 residues pruned to eliminate duplicates Z: 14 21.409 1.906 0.907 0.790 0.923 0.538 CB 1.372 14 residues pruned to eliminate duplicates Z: 22 30.731 1.976 0.673 0.888 1.000 0.810 CB 1.462 22 residues pruned to eliminate duplicates Z: 6 9.487 1.662 0.705 0.793 1.000 0.800 CA 1.157 Z: 42 18.963 1.820 0.583 0.462 0.902 0.585 CB 1.183 40 residues pruned to eliminate duplicates Z: 11 10.007 1.733 0.773 0.501 1.000 0.600 CA 1.029 10 residues pruned to eliminate duplicates Z: 6 6.783 1.694 0.537 0.620 0.800 0.800 CB 1.300 7 residues pruned to eliminate duplicates Z: 7 7.728 1.704 0.707 0.528 0.833 0.333 CA 1.267 Z: 8 9.539 1.552 0.660 0.783 1.000 0.429 O 1.091 8 residues pruned to eliminate duplicates Z: 23 37.490 2.013 0.965 0.891 0.955 0.591 CB 1.522 23 residues pruned to eliminate duplicates Z: 9 10.850 1.665 0.490 0.622 1.000 0.625 CA 1.377 9 residues pruned to eliminate duplicates Z: 24 6.310 1.648 0.383 0.303 0.739 0.391 CB 0.972 25 residues pruned to eliminate duplicates Z: 22 29.922 1.996 0.591 0.890 1.000 0.810 CB 1.479 22 residues pruned to eliminate duplicates Z: 10 3.510 1.341 0.343 0.140 0.889 0.444 O 1.143 Z: 9 8.035 1.581 0.550 0.491 1.000 0.500 CA 1.169 9 residues pruned to eliminate duplicates Z: 12 5.733 1.595 0.201 0.489 0.818 0.636 CB 1.115 12 residues pruned to eliminate duplicates Z: 12 15.390 1.776 0.624 0.898 1.000 0.818 CB 1.151 12 residues pruned to eliminate duplicates Z: 23 28.773 1.982 0.588 0.875 1.000 0.682 CA 1.418 23 residues pruned to eliminate duplicates Z: 8 8.409 1.645 0.414 0.826 0.857 0.714 CA 1.202 8 residues pruned to eliminate duplicates Z: 10 6.116 1.771 0.612 0.480 0.667 0.333 CB 1.093 10 residues pruned to eliminate duplicates Z: 22 22.978 1.894 0.565 0.862 0.952 0.667 CB 1.305 22 residues pruned to eliminate duplicates Z: 24 27.162 1.943 0.557 0.882 1.000 0.913 CB 1.355 24 residues pruned to eliminate duplicates Z: 9 15.761 2.014 0.520 0.710 1.000 0.875 CB 1.504 9 residues pruned to eliminate duplicates Z: 9 4.713 1.440 0.343 0.430 0.750 0.250 CB 1.235 Z: 6 2.896 1.652 0.755 0.465 0.800 0.600 CB 0.578 Z: 9 7.275 1.736 0.427 0.613 0.750 0.750 CB 1.244 10 residues pruned to eliminate duplicates Z: 23 33.925 2.022 0.841 0.846 1.000 0.727 CA 1.443 23 residues pruned to eliminate duplicates Z: 6 4.294 1.531 0.589 0.502 1.000 0.400 CA 0.788 6 residues pruned to eliminate duplicates Z: 22 23.258 1.911 0.419 0.908 0.952 0.857 CB 1.396 22 residues pruned to eliminate duplicates Z: 11 8.846 1.542 0.665 0.846 0.900 0.800 CB 0.899 11 residues pruned to eliminate duplicates Z: 7 5.455 1.662 0.349 0.568 0.833 0.833 CB 1.116 Z: 21 9.081 1.799 0.423 0.312 0.850 0.400 CB 1.150 21 residues pruned to eliminate duplicates Z: 11 5.654 1.416 0.489 0.642 1.000 0.700 CB 0.742 Z: 10 15.114 1.683 0.887 0.685 1.000 0.778 CA 1.338 9 residues pruned to eliminate duplicates Z: 14 7.214 1.715 0.408 0.653 0.846 0.692 CB 0.849 6 residues pruned to eliminate duplicates Z: 6 5.563 1.478 0.519 0.647 1.000 1.000 CB 0.966 Z: 13 18.762 1.932 0.691 0.829 1.000 0.833 CA 1.247 13 residues pruned to eliminate duplicates Z: 6 5.089 1.694 0.587 0.718 0.800 0.400 CB 0.869 6 residues pruned to eliminate duplicates Z: 32 18.018 1.879 0.725 0.373 0.903 0.516 CB 1.265 32 residues pruned to eliminate duplicates Z: 8 3.564 1.453 0.418 0.460 0.714 0.571 CA 0.954 Z: 15 12.500 1.783 0.772 0.867 0.929 0.643 CB 0.833 15 residues pruned to eliminate duplicates Z: 31 11.635 1.748 0.396 0.357 0.833 0.433 CB 1.219 31 residues pruned to eliminate duplicates Z: 17 12.128 1.870 0.425 0.398 0.875 0.500 CB 1.448 25 residues pruned to eliminate duplicates Z: 11 6.666 1.663 0.796 0.424 0.700 0.400 CB 1.090 11 residues pruned to eliminate duplicates Z: 13 16.804 1.901 0.750 0.816 0.833 0.750 CB 1.330 13 residues pruned to eliminate duplicates Z: 15 18.324 1.727 0.848 0.839 0.929 0.714 CB 1.233 15 residues pruned to eliminate duplicates Z: 30 14.540 1.885 0.523 0.365 0.897 0.552 CB 1.212 30 residues pruned to eliminate duplicates Z: 23 34.681 2.041 1.035 0.885 0.955 0.636 CA 1.347 23 residues pruned to eliminate duplicates Z: 7 7.874 1.633 0.612 0.782 0.833 0.667 CA 1.143 7 residues pruned to eliminate duplicates Z: 24 24.895 1.973 0.360 0.882 1.000 0.870 CA 1.400 24 residues pruned to eliminate duplicates Z: 11 11.716 1.830 0.026 0.852 1.000 0.900 CB 1.459 11 residues pruned to eliminate duplicates Z: 9 2.414 1.603 -0.115 0.294 0.875 0.375 CB 0.865 7 1.511 1.147 0.192 0.245 0.667 0.500 O 0.908 ? Z: 75 44.788 2.020 0.911 0.576 0.919 0.622 CB 1.364 80 residues pruned to eliminate duplicates Z: 15 17.645 1.820 1.008 0.778 0.857 0.714 CA 1.178 15 residues pruned to eliminate duplicates Z: 15 14.983 1.617 0.438 0.827 0.929 0.643 CB 1.398 12 residues pruned to eliminate duplicates Z: 24 29.324 2.009 0.720 0.819 1.000 0.783 CA 1.342 24 residues pruned to eliminate duplicates Z: 8 7.157 1.691 0.401 0.687 0.857 0.571 CB 1.122 8 residues pruned to eliminate duplicates Z: 22 26.852 2.005 0.520 0.898 0.952 0.905 CA 1.444 22 residues pruned to eliminate duplicates Z: 15 15.655 1.686 0.687 0.907 1.000 0.714 CB 1.045 15 residues pruned to eliminate duplicates Z: 23 25.884 1.863 0.758 0.869 1.000 0.636 CB 1.231 23 residues pruned to eliminate duplicates Z: 23 26.635 1.954 0.623 0.827 1.000 0.773 CB 1.349 23 residues pruned to eliminate duplicates Z: 23 33.548 2.080 0.909 0.894 0.909 0.636 CA 1.422 23 residues pruned to eliminate duplicates Z: 24 16.651 2.006 0.814 0.361 0.913 0.348 CB 1.213 24 residues pruned to eliminate duplicates Z: 24 23.414 1.945 0.340 0.834 1.000 0.783 CA 1.403 24 residues pruned to eliminate duplicates Z: 22 27.076 2.055 0.632 0.878 1.000 0.810 CA 1.279 22 residues pruned to eliminate duplicates Z: 18 14.019 1.872 0.386 0.573 0.941 0.765 CB 1.298 13 residues pruned to eliminate duplicates Z: 10 3.114 1.709 0.232 0.210 0.556 0.444 N 1.249 Z: 40 27.538 2.006 0.576 0.679 0.897 0.667 CB 1.318 40 residues pruned to eliminate duplicates Z: 12 10.175 1.925 0.492 0.509 0.818 0.545 CA 1.293 12 residues pruned to eliminate duplicates Z: 33 31.468 2.060 0.837 0.524 0.938 0.719 CB 1.532 33 residues pruned to eliminate duplicates Z: 25 16.285 1.786 0.410 0.568 0.958 0.708 CB 1.290 17 residues pruned to eliminate duplicates Z: 38 22.573 1.948 0.637 0.462 0.892 0.514 CB 1.357 38 residues pruned to eliminate duplicates Z: 8 5.138 1.598 0.256 0.499 1.000 0.714 CB 0.968 8 residues pruned to eliminate duplicates Z: 13 15.514 1.794 0.832 0.913 1.000 0.500 CB 0.964 13 residues pruned to eliminate duplicates Z: 42 35.218 2.093 0.862 0.543 0.951 0.659 CB 1.423 42 residues pruned to eliminate duplicates Z: 21 11.871 1.737 0.521 0.349 1.000 0.600 CB 1.183 39 residues pruned to eliminate duplicates Z: 15 12.079 1.774 0.409 0.564 0.929 0.571 CB 1.307 15 residues pruned to eliminate duplicates Z: 10 8.419 1.545 0.783 0.453 1.000 0.889 CB 1.068 Z: 11 10.618 1.872 0.493 0.387 0.900 0.600 CA 1.504 Z: 38 20.542 1.892 0.454 0.549 0.892 0.703 CB 1.313 40 residues pruned to eliminate duplicates Z: 6 2.964 1.740 0.158 0.440 0.800 0.600 CB 0.875 5 residues pruned to eliminate duplicates Z: 6 2.732 1.310 0.273 0.384 0.800 0.600 O 1.036 Z: 13 2.638 1.399 0.269 0.345 0.750 0.500 CB 0.677 Z: 13 19.030 1.908 0.665 0.831 0.917 0.583 CA 1.417 13 residues pruned to eliminate duplicates Z: 7 13.465 1.818 0.666 0.897 1.000 1.000 CB 1.299 7 residues pruned to eliminate duplicates Z: 13 28.991 1.966 1.278 0.833 1.000 0.833 CB 1.401 13 residues pruned to eliminate duplicates Z: 30 28.531 2.045 0.855 0.513 0.931 0.379 CB 1.480 31 residues pruned to eliminate duplicates Z: 42 35.003 2.104 0.759 0.546 0.927 0.585 CB 1.524 41 residues pruned to eliminate duplicates Z: 8 12.765 1.836 0.694 0.830 0.857 0.571 N 1.360 8 residues pruned to eliminate duplicates Z: 7 6.164 1.597 0.253 0.618 1.000 0.833 CB 1.125 7 residues pruned to eliminate duplicates Z: 20 14.287 1.889 0.636 0.398 0.895 0.526 CB 1.320 20 residues pruned to eliminate duplicates Z: 6 6.314 1.824 0.334 0.599 0.800 0.800 CB 1.320 Z: 22 31.522 2.088 0.636 0.892 0.952 0.810 CA 1.518 22 residues pruned to eliminate duplicates Z: 7 11.048 1.568 0.838 0.839 1.000 0.667 CB 1.168 7 residues pruned to eliminate duplicates Z: 14 13.945 1.796 0.355 0.863 0.923 0.538 CB 1.264 14 residues pruned to eliminate duplicates Z: 11 3.070 1.487 0.190 0.306 0.700 0.400 CB 0.973 Z: 12 15.900 1.565 0.835 0.889 1.000 0.909 N 1.202 12 residues pruned to eliminate duplicates Z: 10 7.233 1.580 0.285 0.581 1.000 0.778 CA 1.098 11 residues pruned to eliminate duplicates Z: 26 21.596 2.022 0.302 0.784 0.960 0.720 CA 1.331 26 residues pruned to eliminate duplicates Z: 47 20.652 1.789 0.423 0.584 0.870 0.739 CB 1.268 46 residues pruned to eliminate duplicates Z: 68 31.720 1.922 0.637 0.551 0.925 0.597 CB 1.266 111 residues pruned to eliminate duplicates Z: 12 6.097 1.408 0.400 0.604 0.727 0.636 N 1.161 12 residues pruned to eliminate duplicates Z: 13 16.366 1.946 0.481 0.804 1.000 0.750 CB 1.258 13 residues pruned to eliminate duplicates Z: 23 32.369 2.053 0.725 0.852 1.000 0.545 CB 1.441 23 residues pruned to eliminate duplicates Z: 35 34.074 2.036 0.732 0.706 1.000 0.735 CB 1.374 35 residues pruned to eliminate duplicates Z: 11 9.949 1.577 0.749 0.635 1.000 0.800 CB 1.005 11 residues pruned to eliminate duplicates Z: 23 22.602 1.858 0.736 0.695 0.955 0.545 CB 1.310 26 residues pruned to eliminate duplicates Z: 13 16.045 1.761 0.676 0.890 0.917 0.500 CB 1.232 13 residues pruned to eliminate duplicates Z: 55 31.323 1.892 0.681 0.610 0.926 0.630 CB 1.304 51 residues pruned to eliminate duplicates Z: 6 4.166 1.155 0.463 0.818 1.000 0.400 N 0.836 Z: 11 10.984 1.800 0.209 0.895 1.000 1.000 CA 1.144 11 residues pruned to eliminate duplicates Z: 7 8.332 1.772 0.729 0.875 1.000 0.833 CB 0.808 7 residues pruned to eliminate duplicates Z: 8 12.390 1.850 0.603 0.860 1.000 0.857 CB 1.161 8 residues pruned to eliminate duplicates Z: 8 7.035 1.628 0.260 0.851 1.000 0.857 CB 0.960 8 residues pruned to eliminate duplicates Z: 39 28.205 1.959 0.677 0.584 0.921 0.632 CB 1.395 39 residues pruned to eliminate duplicates Z: 37 22.488 1.903 0.483 0.558 0.917 0.611 CB 1.369 38 residues pruned to eliminate duplicates Z: 8 5.383 1.782 0.300 0.473 0.857 0.571 CB 1.054 8 residues pruned to eliminate duplicates Z: 6 5.771 1.557 0.706 0.772 1.000 0.800 CB 0.764 Z: 6 5.085 1.619 0.069 0.814 1.000 0.800 CA 1.000 6 residues pruned to eliminate duplicates Z: 21 27.395 1.861 1.013 0.875 0.950 0.600 CB 1.252 21 residues pruned to eliminate duplicates 6 1.335 1.198 0.812 0.294 0.600 0.400 N 0.578 ? Z: 27 24.235 1.969 0.676 0.547 0.923 0.731 CB 1.490 27 residues pruned to eliminate duplicates Z: 11 14.721 1.904 0.786 0.524 1.000 0.500 CA 1.337 12 residues pruned to eliminate duplicates Z: 11 8.968 1.757 0.693 0.782 0.900 0.700 CA 0.826 11 residues pruned to eliminate duplicates Z: 15 11.280 1.759 0.384 0.657 1.000 0.571 CB 1.071 15 residues pruned to eliminate duplicates Z: 43 28.390 1.915 0.675 0.587 0.952 0.667 CB 1.319 43 residues pruned to eliminate duplicates Z: 36 17.834 1.795 0.468 0.453 0.886 0.571 CB 1.355 36 residues pruned to eliminate duplicates Z: 42 28.506 2.021 0.721 0.504 0.902 0.512 CB 1.412 42 residues pruned to eliminate duplicates Z: 32 23.577 1.862 0.746 0.641 0.935 0.613 CB 1.221 25 residues pruned to eliminate duplicates Z: 7 13.331 1.799 0.678 0.875 1.000 0.667 CB 1.311 7 residues pruned to eliminate duplicates Z: 7 3.801 1.608 0.181 0.389 0.833 0.667 CA 1.102 7 residues pruned to eliminate duplicates Z: 72 38.629 1.982 0.814 0.517 0.901 0.535 CB 1.390 72 residues pruned to eliminate duplicates Z: 18 12.439 1.598 0.598 0.551 0.941 0.529 CB 1.194 18 residues pruned to eliminate duplicates Z: 10 8.411 1.653 0.946 0.449 0.778 0.667 CA 1.181 10 residues pruned to eliminate duplicates Z: 24 13.474 1.801 0.642 0.477 0.870 0.652 CB 1.118 24 residues pruned to eliminate duplicates Z: 7 7.560 1.605 0.494 0.805 0.833 0.333 CA 1.183 7 residues pruned to eliminate duplicates Z: 40 37.835 2.127 0.952 0.519 0.923 0.590 CB 1.551 43 residues pruned to eliminate duplicates Z: 22 30.888 1.958 0.838 0.907 1.000 0.905 CA 1.331 22 residues pruned to eliminate duplicates Z: 44 35.161 2.034 0.822 0.550 0.953 0.488 CB 1.445 44 residues pruned to eliminate duplicates Z: 14 17.478 1.745 0.658 0.825 1.000 0.846 CB 1.265 14 residues pruned to eliminate duplicates Z: 15 13.673 1.813 0.780 0.448 0.857 0.714 CA 1.393 15 residues pruned to eliminate duplicates 6 1.661 1.625 0.859 0.825 1.000 0.800 CB 0.186 ? Z: 13 16.329 1.817 0.612 0.908 0.917 0.833 CB 1.247 13 residues pruned to eliminate duplicates Z: 6 2.698 1.309 0.552 0.471 0.600 0.400 CB 1.019 Z: 11 11.574 1.595 0.699 0.834 0.900 0.900 CA 1.125 11 residues pruned to eliminate duplicates Z: 9 12.152 1.784 0.475 0.668 1.000 0.625 CB 1.398 9 residues pruned to eliminate duplicates Z: 11 3.539 1.544 0.235 0.323 0.900 0.600 CB 0.792 7 residues pruned to eliminate duplicates Z: 11 12.242 1.740 0.675 0.889 1.000 0.700 CB 0.956 10 residues pruned to eliminate duplicates Z: 27 33.217 2.035 0.823 0.740 0.962 0.615 CB 1.473 27 residues pruned to eliminate duplicates Z: 21 27.883 2.044 0.857 0.579 1.000 0.450 CB 1.522 21 residues pruned to eliminate duplicates Z: 23 17.321 1.836 0.769 0.496 0.909 0.636 CB 1.256 23 residues pruned to eliminate duplicates Z: 14 20.063 1.886 1.035 0.806 1.000 0.692 CB 1.110 15 residues pruned to eliminate duplicates Z: 9 3.824 1.555 0.496 0.340 0.750 0.375 CB 0.922 8 residues pruned to eliminate duplicates Z: 6 3.576 1.740 -0.065 0.429 0.800 0.400 CB 1.322 6 residues pruned to eliminate duplicates Z: 16 15.264 1.909 0.737 0.353 0.933 0.533 CB 1.493 16 residues pruned to eliminate duplicates Z: 41 25.999 1.979 0.781 0.484 0.875 0.575 CB 1.355 41 residues pruned to eliminate duplicates Z: 7 7.821 1.600 0.736 0.827 1.000 0.667 CB 0.866 7 residues pruned to eliminate duplicates Z: 7 7.330 1.574 0.514 0.737 1.000 0.833 CB 1.015 7 residues pruned to eliminate duplicates Z: 11 4.037 1.499 0.424 0.264 0.800 0.700 CB 0.979 Z: 22 32.693 2.023 0.877 0.898 1.000 0.905 CA 1.344 22 residues pruned to eliminate duplicates Z: 8 3.898 1.493 0.721 0.723 1.000 0.714 CB 0.469 Z: 6 5.567 1.774 1.038 0.333 0.800 0.600 CB 1.033 6 residues pruned to eliminate duplicates Z: 10 4.989 1.407 0.430 0.430 0.889 0.444 CA 1.000 10 residues pruned to eliminate duplicates Z: 7 4.109 1.406 0.427 0.478 0.833 0.333 O 1.026 Z: 12 4.546 1.614 0.247 0.258 0.909 0.545 CB 0.989 Z: 31 22.243 1.942 0.799 0.604 0.933 0.567 CB 1.128 29 residues pruned to eliminate duplicates Z: 23 26.360 1.979 0.698 0.859 1.000 0.682 CA 1.231 23 residues pruned to eliminate duplicates Z: 26 27.041 2.052 0.966 0.575 0.880 0.760 CB 1.417 26 residues pruned to eliminate duplicates Z: 7 7.544 1.750 0.268 0.592 1.000 0.500 CB 1.271 7 residues pruned to eliminate duplicates Z: 10 4.154 1.654 0.125 0.320 0.778 0.444 CB 1.167 10 residues pruned to eliminate duplicates Z: 9 14.791 1.902 0.879 0.793 1.000 1.000 CA 1.132 9 residues pruned to eliminate duplicates Z: 10 3.568 1.604 0.098 0.369 0.778 0.556 CB 0.999 Z: 6 4.759 1.708 0.743 0.588 0.800 0.400 CB 0.821 Z: 41 33.745 2.090 0.821 0.568 0.875 0.700 CB 1.500 41 residues pruned to eliminate duplicates 6 1.691 1.211 0.677 0.292 0.800 0.600 CB 0.588 ? Z: 7 4.075 1.574 0.793 0.734 0.833 0.833 CB 0.573 7 residues pruned to eliminate duplicates 6 1.124 1.698 -0.043 0.297 1.000 0.800 CB 0.388 ? Z: 7 5.736 1.471 0.419 0.743 0.833 0.833 N 1.084 7 residues pruned to eliminate duplicates Z: 12 13.657 1.949 0.259 0.878 1.000 1.000 CA 1.218 12 residues pruned to eliminate duplicates Z: 14 18.264 1.864 0.961 0.846 1.000 0.769 CB 1.030 Z: 7 6.187 1.700 0.851 0.442 0.833 0.667 CB 1.022 Z: 11 14.815 1.800 0.651 0.720 0.900 0.700 CB 1.436 11 residues pruned to eliminate duplicates Z: 8 9.638 1.756 0.771 0.777 0.857 0.571 CA 1.070 8 residues pruned to eliminate duplicates Z: 40 33.805 2.041 0.839 0.481 0.949 0.538 CB 1.550 40 residues pruned to eliminate duplicates Z: 23 11.164 1.890 0.683 0.255 0.773 0.455 CB 1.282 23 residues pruned to eliminate duplicates Z: 39 30.887 2.052 0.786 0.551 0.895 0.684 CA 1.454 39 residues pruned to eliminate duplicates Z: 6 2.898 1.683 0.483 0.463 0.800 0.800 CB 0.674 Z: 13 10.511 1.886 0.142 0.886 1.000 0.833 CA 1.016 13 residues pruned to eliminate duplicates 6 1.726 1.275 0.873 0.283 0.600 0.400 CB 0.688 ? Z: 12 6.998 1.830 0.196 0.675 0.818 0.818 CB 1.003 12 residues pruned to eliminate duplicates Z: 8 4.892 1.550 0.361 0.307 0.857 0.571 CB 1.268 Z: 40 24.265 1.883 0.528 0.589 0.923 0.718 CB 1.344 44 residues pruned to eliminate duplicates Z: 24 15.625 1.791 0.608 0.480 0.913 0.696 CB 1.265 24 residues pruned to eliminate duplicates Z: 11 22.115 1.996 0.910 0.895 1.000 1.000 CB 1.315 11 residues pruned to eliminate duplicates Z: 6 3.838 1.719 0.623 0.765 1.000 0.800 CB 0.487 Z: 45 23.735 1.898 0.623 0.480 0.909 0.523 CB 1.304 41 residues pruned to eliminate duplicates Z: 17 21.156 1.839 0.898 0.560 1.000 0.688 CA 1.429 15 residues pruned to eliminate duplicates Z: 12 6.663 1.712 0.319 0.534 0.818 0.545 CB 1.051 12 residues pruned to eliminate duplicates Z: 41 37.008 2.090 0.886 0.545 0.950 0.525 CB 1.496 40 residues pruned to eliminate duplicates Z: 23 17.746 1.869 0.505 0.858 0.864 0.773 CA 1.146 23 residues pruned to eliminate duplicates Z: 6 8.371 1.733 0.407 0.820 1.000 0.400 CA 1.163 6 residues pruned to eliminate duplicates Z: 10 10.735 1.533 0.617 0.887 1.000 0.889 CA 1.040 Z: 24 9.839 1.679 0.244 0.436 0.913 0.522 CB 1.150 24 residues pruned to eliminate duplicates Z: 16 8.455 1.771 0.188 0.471 0.933 0.533 CB 1.144 16 residues pruned to eliminate duplicates Z: 9 12.512 1.867 0.761 0.866 0.875 0.625 CB 1.126 9 residues pruned to eliminate duplicates Z: 23 15.742 1.908 0.701 0.338 0.864 0.409 CB 1.429 23 residues pruned to eliminate duplicates Z: 43 31.850 1.930 0.735 0.546 0.952 0.619 CB 1.473 43 residues pruned to eliminate duplicates Z: 6 8.087 1.965 0.911 0.572 0.800 0.600 CB 1.123 6 residues pruned to eliminate duplicates Z: 14 15.744 2.020 0.296 0.682 0.923 0.769 CA 1.528 14 residues pruned to eliminate duplicates Z: 19 10.602 1.696 0.537 0.477 0.833 0.667 CB 1.177 10 residues pruned to eliminate duplicates Z: 14 18.668 1.912 0.758 0.830 0.923 0.846 CB 1.255 14 residues pruned to eliminate duplicates Z: 17 11.846 1.782 0.582 0.495 0.875 0.438 CA 1.206 17 residues pruned to eliminate duplicates Z: 23 16.953 1.753 0.637 0.606 0.909 0.591 CB 1.253 23 residues pruned to eliminate duplicates Z: 7 6.970 1.466 0.525 0.755 1.000 0.667 CB 1.015 7 residues pruned to eliminate duplicates Z: 11 18.854 1.820 0.899 0.887 0.900 0.800 CA 1.382 11 residues pruned to eliminate duplicates Z: 41 31.824 1.985 0.881 0.533 0.875 0.625 CB 1.490 41 residues pruned to eliminate duplicates Z: 18 17.748 1.962 0.589 0.689 1.000 0.765 CA 1.162 18 residues pruned to eliminate duplicates Z: 15 13.485 1.577 0.642 0.679 0.929 0.643 CB 1.271 15 residues pruned to eliminate duplicates Z: 6 10.058 2.049 0.700 0.791 0.800 0.600 CB 1.251 6 residues pruned to eliminate duplicates Z: 7 6.855 1.517 0.567 0.676 1.000 0.833 CA 1.002 8 residues pruned to eliminate duplicates Z: 10 13.610 1.862 0.386 0.878 1.000 0.778 CB 1.276 10 residues pruned to eliminate duplicates Z: 10 11.265 1.533 0.749 0.614 1.000 0.444 CA 1.257 10 residues pruned to eliminate duplicates Z: 8 3.531 1.427 0.562 0.224 0.714 0.571 CA 1.156 8 residues pruned to eliminate duplicates Z: 12 6.236 1.749 0.516 0.259 0.818 0.455 CB 1.142 12 residues pruned to eliminate duplicates Z: 17 23.213 1.915 0.842 0.727 1.000 0.375 CB 1.340 17 residues pruned to eliminate duplicates Z: 22 28.041 2.022 0.425 0.925 1.000 0.810 CB 1.489 22 residues pruned to eliminate duplicates Z: 21 27.621 1.997 0.564 0.879 1.000 0.850 CA 1.434 21 residues pruned to eliminate duplicates Z: 40 19.456 1.893 0.604 0.461 0.872 0.641 CB 1.225 40 residues pruned to eliminate duplicates Z: 13 14.767 1.796 0.515 0.879 0.917 0.833 CB 1.239 13 residues pruned to eliminate duplicates Z: 40 25.422 1.907 0.606 0.595 0.923 0.615 CB 1.315 40 residues pruned to eliminate duplicates Z: 7 7.799 1.583 0.525 0.752 1.000 0.833 CA 1.053 7 residues pruned to eliminate duplicates Z: 43 31.892 2.047 0.800 0.525 0.881 0.571 CB 1.479 43 residues pruned to eliminate duplicates Z: 11 7.363 1.703 0.708 0.422 0.700 0.400 N 1.239 11 residues pruned to eliminate duplicates Z: 6 3.618 1.385 0.318 0.425 0.800 0.400 N 1.197 Z: 12 11.998 1.712 0.646 0.805 0.909 0.545 CA 1.082 12 residues pruned to eliminate duplicates Z: 46 19.193 1.851 0.544 0.378 0.867 0.556 CB 1.316 45 residues pruned to eliminate duplicates Z: 40 16.783 1.871 0.440 0.346 0.949 0.487 CB 1.243 40 residues pruned to eliminate duplicates Z: 12 9.813 1.650 0.583 0.587 0.909 0.455 CA 1.147 12 residues pruned to eliminate duplicates Z: 23 26.598 1.980 0.501 0.860 1.000 0.591 CA 1.403 23 residues pruned to eliminate duplicates Z: 14 11.492 1.688 0.902 0.477 0.846 0.615 CB 1.202 Z: 14 15.101 1.721 0.634 0.833 0.923 0.846 CA 1.211 14 residues pruned to eliminate duplicates Z: 11 9.872 1.693 0.635 0.818 0.900 0.800 CB 0.951 11 residues pruned to eliminate duplicates Z: 13 18.595 1.891 0.662 0.801 0.917 0.833 CA 1.433 13 residues pruned to eliminate duplicates Z: 48 29.411 1.918 0.698 0.539 0.915 0.617 CB 1.386 48 residues pruned to eliminate duplicates Z: 15 4.020 1.576 0.435 0.248 0.786 0.429 CB 0.809 Z: 10 7.461 1.581 0.137 0.887 0.889 0.889 N 1.123 8 residues pruned to eliminate duplicates Z: 9 13.147 1.604 0.912 0.657 1.000 0.875 CB 1.310 9 residues pruned to eliminate duplicates Z: 13 22.408 1.793 1.063 0.936 1.000 0.833 CB 1.218 13 residues pruned to eliminate duplicates Z: 11 7.626 1.524 0.739 0.585 0.900 0.600 CB 0.932 11 residues pruned to eliminate duplicates Z: 8 3.048 1.540 -0.054 0.442 0.714 0.429 CB 1.176 Z: 10 7.332 1.785 0.607 0.522 0.778 0.667 CB 1.073 10 residues pruned to eliminate duplicates Z: 7 2.930 1.609 -0.057 0.647 1.000 0.500 CB 0.687 Z: 9 8.419 1.783 0.397 0.595 0.875 0.500 CB 1.248 9 residues pruned to eliminate duplicates Z: 11 15.283 1.608 0.798 0.863 1.000 0.800 CB 1.226 10 residues pruned to eliminate duplicates Z: 22 14.423 1.867 0.737 0.325 0.905 0.333 CB 1.299 22 residues pruned to eliminate duplicates Z: 18 18.065 1.955 0.900 0.328 0.941 0.529 CB 1.514 17 residues pruned to eliminate duplicates Z: 19 14.518 1.865 0.608 0.642 0.944 0.778 CB 1.058 19 residues pruned to eliminate duplicates Z: 22 25.704 2.049 0.518 0.863 1.000 0.905 CA 1.323 22 residues pruned to eliminate duplicates Z: 8 7.837 1.632 0.444 0.592 1.000 0.571 CB 1.151 Z: 6 3.869 1.417 0.707 0.677 0.600 0.600 O 1.013 Z: 27 22.325 2.031 0.574 0.580 0.885 0.692 CA 1.434 26 residues pruned to eliminate duplicates Z: 11 2.597 1.594 0.017 0.334 0.800 0.400 CB 0.759 Z: 17 20.234 2.008 0.735 0.597 1.000 0.750 CB 1.324 17 residues pruned to eliminate duplicates Z: 17 9.077 1.915 0.192 0.402 0.875 0.562 CB 1.260 17 residues pruned to eliminate duplicates Z: 8 9.485 1.712 0.336 0.908 1.000 1.000 CB 1.113 8 residues pruned to eliminate duplicates Z: 32 13.280 1.772 0.375 0.424 0.903 0.710 CB 1.173 32 residues pruned to eliminate duplicates Z: 12 8.330 1.705 0.574 0.546 0.818 0.727 CA 1.093 11 residues pruned to eliminate duplicates Z: 16 5.580 1.500 0.420 0.313 0.800 0.333 CB 1.040 11 residues pruned to eliminate duplicates Z: 36 27.982 2.036 0.624 0.583 0.943 0.800 CA 1.400 36 residues pruned to eliminate duplicates Z: 12 17.884 1.925 0.654 0.811 0.909 0.727 CA 1.421 12 residues pruned to eliminate duplicates Z: 8 5.581 1.602 0.199 0.623 0.857 0.857 CB 1.141 Z: 29 25.605 1.918 0.756 0.571 0.929 0.643 CB 1.445 29 residues pruned to eliminate duplicates Z: 28 19.059 1.824 0.557 0.616 0.889 0.556 CB 1.301 28 residues pruned to eliminate duplicates Z: 12 6.810 1.613 0.320 0.485 0.909 0.455 CB 1.078 12 residues pruned to eliminate duplicates Z: 41 18.693 1.860 0.606 0.449 0.900 0.550 CB 1.158 41 residues pruned to eliminate duplicates Z: 9 10.054 1.557 0.464 0.864 1.000 0.875 N 1.143 9 residues pruned to eliminate duplicates Z: 7 2.484 1.326 0.542 0.371 0.833 0.500 CB 0.684 Z: 10 2.866 1.464 0.146 0.181 0.778 0.444 CB 1.076 10 residues pruned to eliminate duplicates Z: 22 27.405 1.941 1.054 0.845 0.857 0.714 CB 1.301 22 residues pruned to eliminate duplicates Z: 27 30.585 2.003 0.852 0.597 0.962 0.654 CB 1.532 27 residues pruned to eliminate duplicates Z: 8 7.710 1.879 1.106 0.625 0.714 0.429 CB 0.916 8 residues pruned to eliminate duplicates Z: 13 9.942 1.706 1.071 0.434 0.833 0.667 CB 1.043 12 residues pruned to eliminate duplicates Z: 39 32.602 1.979 0.942 0.539 0.947 0.579 CB 1.399 39 residues pruned to eliminate duplicates Z: 46 20.757 1.831 0.452 0.560 0.911 0.600 CB 1.205 42 residues pruned to eliminate duplicates Z: 8 5.572 1.634 0.434 0.834 1.000 0.857 CB 0.674 8 residues pruned to eliminate duplicates Z: 10 5.038 1.920 0.223 0.479 0.889 0.556 CB 0.822 10 residues pruned to eliminate duplicates Z: 31 21.683 1.927 0.725 0.435 0.967 0.500 CB 1.317 31 residues pruned to eliminate duplicates Z: 9 11.772 1.968 0.864 0.398 0.875 0.625 CA 1.444 9 residues pruned to eliminate duplicates Z: 41 35.763 2.008 0.991 0.502 0.975 0.375 CB 1.447 41 residues pruned to eliminate duplicates Z: 24 30.430 2.057 0.655 0.844 0.957 0.783 CA 1.449 24 residues pruned to eliminate duplicates Z: 7 2.236 1.558 -0.077 0.354 0.667 0.333 CB 1.114 7 residues pruned to eliminate duplicates Z: 15 13.262 1.830 0.453 0.805 0.929 0.786 CB 1.100 15 residues pruned to eliminate duplicates Z: 6 7.128 1.690 0.726 0.788 0.600 0.600 O 1.414 6 residues pruned to eliminate duplicates Z: 24 15.939 1.897 0.587 0.515 0.870 0.609 CB 1.251 24 residues pruned to eliminate duplicates Z: 11 9.180 1.672 0.838 0.593 0.900 0.600 CB 0.961 Z: 29 19.693 1.852 0.767 0.559 0.929 0.607 CB 1.157 29 residues pruned to eliminate duplicates Z: 42 29.001 1.956 0.812 0.495 0.927 0.439 CB 1.386 42 residues pruned to eliminate duplicates Z: 8 3.361 1.403 0.454 0.516 0.857 0.714 N 0.715 Z: 11 7.460 1.467 0.225 0.828 0.900 0.900 N 1.098 10 residues pruned to eliminate duplicates Z: 13 13.038 1.898 0.402 0.813 1.000 0.917 CB 1.078 13 residues pruned to eliminate duplicates Z: 36 22.984 1.984 0.637 0.497 0.943 0.686 CB 1.272 28 residues pruned to eliminate duplicates Z: 17 18.942 1.988 0.853 0.453 1.000 0.500 CB 1.350 17 residues pruned to eliminate duplicates Z: 9 8.902 1.699 0.368 0.886 0.875 0.625 CB 1.116 11 residues pruned to eliminate duplicates Z: 77 37.055 1.968 0.610 0.582 0.908 0.618 CA 1.366 77 residues pruned to eliminate duplicates Z: 8 7.843 1.819 0.418 0.553 0.857 0.571 CB 1.273 8 residues pruned to eliminate duplicates Z: 11 11.113 1.773 0.681 0.748 1.000 0.700 CB 0.945 11 residues pruned to eliminate duplicates Z: 7 6.500 1.731 0.373 0.837 0.667 0.667 CA 1.253 7 residues pruned to eliminate duplicates Z: 18 17.583 2.012 0.868 0.482 0.882 0.412 CB 1.310 18 residues pruned to eliminate duplicates Z: 45 30.338 1.998 0.710 0.517 0.932 0.523 CA 1.413 45 residues pruned to eliminate duplicates Z: 16 10.491 2.020 0.576 0.365 0.800 0.200 CB 1.230 16 residues pruned to eliminate duplicates Z: 9 7.671 1.609 0.423 0.747 0.875 0.625 CB 1.085 Z: 6 7.134 1.706 0.464 0.631 1.000 0.600 CB 1.130 6 residues pruned to eliminate duplicates Z: 6 2.902 1.506 1.377 0.304 0.600 0.400 CB 0.751 Z: 23 26.793 2.044 0.497 0.884 0.955 0.864 CA 1.413 23 residues pruned to eliminate duplicates Z: 8 4.432 1.453 0.729 0.570 0.857 0.714 CB 0.727 8 residues pruned to eliminate duplicates Z: 8 4.866 1.566 0.540 0.449 0.714 0.571 CB 1.125 Z: 6 3.843 1.598 0.164 0.638 0.800 0.800 N 1.015 Z: 22 13.745 1.882 0.635 0.313 0.857 0.333 CB 1.399 22 residues pruned to eliminate duplicates Z: 9 10.264 1.660 0.507 0.902 1.000 0.750 CB 1.034 9 residues pruned to eliminate duplicates Z: 10 3.491 1.569 0.010 0.339 0.889 0.556 CA 0.985 10 residues pruned to eliminate duplicates Z: 10 2.623 1.571 -0.088 0.478 1.000 0.444 CB 0.624 Z: 8 12.239 1.713 0.635 0.750 1.000 0.429 O 1.322 8 residues pruned to eliminate duplicates Z: 14 10.529 1.830 0.398 0.639 0.846 0.615 CB 1.184 14 residues pruned to eliminate duplicates Z: 14 26.871 2.040 1.029 0.850 1.000 0.692 CA 1.333 14 residues pruned to eliminate duplicates Z: 14 7.224 1.716 0.566 0.354 0.769 0.462 CB 1.135 14 residues pruned to eliminate duplicates Z: 7 2.897 1.467 0.333 0.282 0.833 0.500 C 0.928 Z: 15 7.652 1.770 1.042 0.308 0.571 0.214 CB 1.225 15 residues pruned to eliminate duplicates Z: 6 3.854 1.242 0.389 0.595 1.000 0.600 CA 0.913 Z: 8 3.392 1.425 0.572 0.321 0.857 0.429 CB 0.813 Z: 11 3.015 1.509 0.223 0.215 0.800 0.300 CB 0.903 Z: 7 3.079 1.468 0.583 0.299 1.000 0.667 CB 0.677 4 residues pruned to eliminate duplicates Z: 32 21.424 1.926 0.435 0.629 0.968 0.484 CB 1.274 32 residues pruned to eliminate duplicates Z: 11 23.797 1.894 0.977 0.919 1.000 0.900 CB 1.416 11 residues pruned to eliminate duplicates Z: 10 8.049 1.749 0.496 0.484 0.889 0.556 CB 1.173 10 residues pruned to eliminate duplicates Z: 6 2.896 1.305 0.816 0.444 0.800 0.400 CB 0.723 Z: 7 4.745 1.674 0.673 0.857 1.000 0.833 CB 0.510 Z: 8 2.025 1.614 -0.317 0.458 0.857 0.714 CB 0.846 Z: 75 47.639 2.036 0.863 0.575 0.946 0.595 CB 1.436 75 residues pruned to eliminate duplicates Z: 22 9.472 1.687 0.506 0.428 0.857 0.429 CB 1.023 22 residues pruned to eliminate duplicates Z: 7 10.304 1.869 0.751 0.697 0.833 0.500 CA 1.289 7 residues pruned to eliminate duplicates Z: 8 5.666 1.698 0.498 0.270 1.000 0.714 CB 1.094 8 residues pruned to eliminate duplicates Z: 12 13.493 1.906 0.939 0.435 0.909 0.818 CB 1.295 12 residues pruned to eliminate duplicates Z: 10 5.564 1.503 0.764 0.393 0.778 0.556 CA 1.007 10 residues pruned to eliminate duplicates Z: 30 23.399 1.802 0.796 0.662 0.931 0.621 CB 1.241 25 residues pruned to eliminate duplicates Z: 7 2.978 1.508 0.326 0.393 0.833 0.500 CB 0.816 7 residues pruned to eliminate duplicates Z: 14 18.242 1.849 0.451 0.888 1.000 0.923 CA 1.359 14 residues pruned to eliminate duplicates Z: 18 9.606 1.864 0.503 0.390 0.882 0.529 CB 1.059 18 residues pruned to eliminate duplicates Z: 27 19.414 1.908 0.651 0.380 0.962 0.615 CB 1.428 27 residues pruned to eliminate duplicates Z: 25 10.908 1.713 0.575 0.307 0.792 0.583 CB 1.292 25 residues pruned to eliminate duplicates Z: 18 10.650 1.782 0.689 0.472 0.765 0.412 CB 1.155 18 residues pruned to eliminate duplicates Z: 11 20.662 1.922 1.138 0.898 1.000 0.800 CB 1.137 11 residues pruned to eliminate duplicates Z: 13 13.318 1.940 0.253 0.803 1.000 0.833 CA 1.215 13 residues pruned to eliminate duplicates Z: 10 3.819 1.300 0.751 0.418 0.889 0.444 CA 0.686 Z: 49 30.319 1.936 0.682 0.531 0.958 0.604 CB 1.360 49 residues pruned to eliminate duplicates Z: 7 8.392 1.779 0.574 0.565 1.000 0.500 CA 1.149 Z: 7 2.496 1.550 -0.016 0.242 1.000 0.333 CB 0.900 Z: 6 8.302 1.698 0.635 0.781 1.000 0.800 CA 1.044 6 residues pruned to eliminate duplicates Z: 12 25.119 1.773 1.214 0.873 1.000 0.636 CA 1.405 12 residues pruned to eliminate duplicates Z: 13 14.944 1.823 0.592 0.880 0.917 0.583 CB 1.175 13 residues pruned to eliminate duplicates Z: 10 4.444 1.271 0.663 0.338 0.889 0.444 N 0.941 10 residues pruned to eliminate duplicates Z: 23 14.434 1.881 0.634 0.396 0.909 0.500 CB 1.229 27 residues pruned to eliminate duplicates Z: 10 5.889 1.595 0.489 0.560 0.889 0.556 CB 0.877 Z: 23 23.926 1.924 0.648 0.682 0.955 0.500 CB 1.426 23 residues pruned to eliminate duplicates Z: 26 27.595 2.046 0.949 0.588 0.920 0.640 CA 1.383 27 residues pruned to eliminate duplicates Z: 10 11.412 1.905 0.207 0.917 1.000 1.000 CB 1.167 10 residues pruned to eliminate duplicates Z: 30 10.430 1.665 0.512 0.369 0.793 0.552 CB 1.116 30 residues pruned to eliminate duplicates Z: 34 22.168 1.803 0.546 0.711 0.909 0.727 CB 1.257 45 residues pruned to eliminate duplicates Z: 6 3.644 1.616 0.311 0.419 0.800 0.800 CB 1.046 Z: 49 30.072 1.939 0.721 0.586 0.917 0.667 CB 1.306 51 residues pruned to eliminate duplicates Z: 7 3.990 1.330 0.774 0.318 1.000 0.500 CB 0.844 Z: 39 39.277 2.085 0.997 0.529 0.974 0.553 CB 1.527 39 residues pruned to eliminate duplicates Z: 26 12.276 1.885 0.526 0.353 0.800 0.520 CB 1.251 26 residues pruned to eliminate duplicates Z: 51 23.172 1.866 0.561 0.476 0.900 0.480 CB 1.281 106 residues pruned to eliminate duplicates Z: 15 8.181 1.657 0.300 0.380 0.929 0.571 CB 1.242 15 residues pruned to eliminate duplicates Z: 6 8.361 1.769 0.972 0.785 0.800 0.800 CB 1.043 6 residues pruned to eliminate duplicates Z: 24 31.994 1.988 0.898 0.849 0.957 0.783 CA 1.370 24 residues pruned to eliminate duplicates Z: 6 6.782 1.441 0.737 0.875 1.000 0.600 CA 0.881 6 residues pruned to eliminate duplicates Z: 6 8.561 1.517 0.685 0.683 1.000 0.800 N 1.266 6 residues pruned to eliminate duplicates Z: 33 20.714 2.000 0.635 0.548 0.875 0.562 CB 1.221 33 residues pruned to eliminate duplicates Z: 6 4.196 1.778 0.574 0.571 0.600 0.400 CB 1.044 6 residues pruned to eliminate duplicates Z: 23 18.434 1.949 0.376 0.853 0.955 0.864 CA 1.135 23 residues pruned to eliminate duplicates Z: 29 15.437 1.847 0.732 0.541 0.857 0.607 CB 1.022 29 residues pruned to eliminate duplicates Z: 6 3.500 1.411 0.152 0.449 1.000 0.600 CB 1.014 Z: 8 8.529 1.910 0.315 0.533 1.000 1.000 CA 1.242 8 residues pruned to eliminate duplicates Z: 24 28.746 1.872 0.686 0.885 1.000 0.826 CB 1.371 30 residues pruned to eliminate duplicates Z: 38 22.698 1.779 0.675 0.612 0.973 0.514 CB 1.158 43 residues pruned to eliminate duplicates Z: 6 4.195 1.540 0.721 0.451 0.800 0.400 CB 0.930 Z: 10 3.012 1.462 0.675 0.256 0.667 0.333 CB 0.814 10 residues pruned to eliminate duplicates Z: 22 22.391 2.042 0.464 0.810 0.810 0.714 CB 1.542 22 residues pruned to eliminate duplicates Z: 16 10.962 1.806 0.651 0.606 0.733 0.667 CA 1.170 16 residues pruned to eliminate duplicates Z: 12 20.848 2.049 0.866 0.869 0.909 0.636 CB 1.321 12 residues pruned to eliminate duplicates Z: 7 3.836 1.541 0.395 0.527 1.000 1.000 CB 0.710 Z: 6 2.982 1.522 0.788 0.282 0.800 0.400 CB 0.784 Z: 7 2.890 1.398 0.167 0.467 1.000 0.500 CB 0.748 Z: 6 6.202 1.718 0.287 0.629 1.000 0.800 CA 1.111 Z: 9 9.147 1.656 0.847 0.450 0.875 0.375 O 1.272 8 residues pruned to eliminate duplicates Z: 21 10.890 1.738 0.336 0.511 0.850 0.550 CB 1.220 29 residues pruned to eliminate duplicates Z: 6 2.371 1.423 0.700 0.434 0.600 0.400 CA 0.782 Z: 16 3.361 1.506 0.005 0.309 0.667 0.400 CB 1.063 4 residues pruned to eliminate duplicates Z: 8 3.457 1.277 0.823 0.397 0.714 0.429 CB 0.875 Z: 36 26.842 1.907 0.621 0.628 0.914 0.657 CA 1.423 36 residues pruned to eliminate duplicates Z: 15 12.040 1.810 0.757 0.382 0.857 0.429 CB 1.338 15 residues pruned to eliminate duplicates Z: 39 31.593 1.962 0.804 0.679 0.947 0.632 CB 1.297 37 residues pruned to eliminate duplicates Z: 9 7.436 1.571 0.471 0.703 1.000 0.750 CA 0.946 9 residues pruned to eliminate duplicates Z: 8 2.884 1.424 0.893 0.243 0.571 0.286 CB 0.953 Using tripeptides from previous cycle as seeds Z: 9 6.512 1.736 0.818 0.606 0.875 0.250 CB 0.754 Z: 8 8.909 1.672 1.238 0.600 0.714 0.571 CB 1.145 17 residues pruned to eliminate duplicates Z: 21 11.215 1.860 0.603 0.397 0.900 0.450 CB 1.041 21 residues pruned to eliminate duplicates Z: 18 14.451 2.073 0.615 0.471 0.765 0.412 CB 1.410 18 residues pruned to eliminate duplicates Z: 19 17.299 2.026 0.772 0.473 0.889 0.333 CB 1.313 19 residues pruned to eliminate duplicates Z: 8 4.180 1.888 0.340 0.432 0.714 0.286 CB 0.937 8 residues pruned to eliminate duplicates Z: 39 31.750 2.058 0.765 0.498 0.974 0.447 CB 1.460 39 residues pruned to eliminate duplicates Z: 38 30.618 2.010 0.838 0.496 0.946 0.486 CB 1.447 38 residues pruned to eliminate duplicates Z: 42 37.676 2.099 0.941 0.535 0.878 0.659 CB 1.590 42 residues pruned to eliminate duplicates Z: 15 20.795 2.080 0.879 0.717 0.857 0.714 CA 1.364 15 residues pruned to eliminate duplicates Z: 29 33.096 2.128 0.914 0.516 0.964 0.679 CA 1.567 29 residues pruned to eliminate duplicates Z: 42 32.134 2.060 0.872 0.471 0.902 0.537 CB 1.485 42 residues pruned to eliminate duplicates Z: 43 31.486 2.079 0.753 0.492 0.929 0.548 CB 1.448 43 residues pruned to eliminate duplicates Z: 43 32.508 2.096 0.724 0.502 0.929 0.571 CB 1.492 43 residues pruned to eliminate duplicates Z: 35 28.357 2.041 0.805 0.458 0.941 0.618 CB 1.465 35 residues pruned to eliminate duplicates Z: 44 26.745 2.064 0.719 0.485 0.814 0.628 CB 1.433 44 residues pruned to eliminate duplicates Z: 26 28.726 2.112 0.865 0.609 0.880 0.640 CA 1.494 26 residues pruned to eliminate duplicates Z: 40 32.118 2.057 0.864 0.530 0.923 0.641 CB 1.411 40 residues pruned to eliminate duplicates Z: 27 33.885 2.035 0.961 0.614 1.000 0.615 CB 1.495 27 residues pruned to eliminate duplicates Z: 44 33.574 2.076 0.864 0.481 0.953 0.512 CB 1.415 44 residues pruned to eliminate duplicates Z: 45 30.489 2.033 0.923 0.495 0.841 0.432 CB 1.405 45 residues pruned to eliminate duplicates Z: 42 35.957 2.045 1.030 0.488 0.976 0.537 CB 1.404 42 residues pruned to eliminate duplicates Z: 42 37.211 2.102 0.885 0.502 0.976 0.415 CB 1.501 42 residues pruned to eliminate duplicates Z: 42 34.014 2.079 0.941 0.518 0.878 0.366 CB 1.472 42 residues pruned to eliminate duplicates Z: 42 35.235 2.104 0.840 0.508 0.951 0.415 CB 1.483 42 residues pruned to eliminate duplicates Z: 36 38.513 2.097 1.027 0.533 1.000 0.486 CB 1.483 36 residues pruned to eliminate duplicates Z: 42 30.822 2.082 0.748 0.476 0.878 0.561 CB 1.543 42 residues pruned to eliminate duplicates Z: 34 28.231 2.062 0.946 0.488 0.848 0.515 CB 1.462 34 residues pruned to eliminate duplicates Z: 42 32.440 2.094 0.921 0.474 0.902 0.366 CB 1.433 42 residues pruned to eliminate duplicates Z: 42 32.977 2.090 1.034 0.477 0.854 0.463 CB 1.452 42 residues pruned to eliminate duplicates Z: 40 34.729 2.088 0.930 0.520 0.949 0.538 CB 1.426 40 residues pruned to eliminate duplicates Z: 12 11.804 1.983 0.826 0.527 0.727 0.545 CA 1.316 12 residues pruned to eliminate duplicates Z: 18 11.912 1.887 0.516 0.415 0.824 0.529 CB 1.340 18 residues pruned to eliminate duplicates Z: 14 11.265 1.962 0.714 0.453 0.615 0.231 CA 1.585 14 residues pruned to eliminate duplicates Z: 6 8.282 1.920 0.894 0.493 1.000 0.600 CB 1.025 6 residues pruned to eliminate duplicates Z: 13 15.897 2.004 0.698 0.552 0.917 0.667 CB 1.399 13 residues pruned to eliminate duplicates Z: 32 17.540 1.974 0.419 0.424 0.871 0.387 CB 1.397 32 residues pruned to eliminate duplicates Z: 12 8.577 1.816 0.481 0.456 0.818 0.273 CA 1.229 12 residues pruned to eliminate duplicates Z: 6 4.777 1.861 0.163 0.449 0.800 0.200 CA 1.301 6 residues pruned to eliminate duplicates Z: 12 8.600 1.908 0.391 0.447 0.818 0.273 CA 1.261 12 residues pruned to eliminate duplicates Z: 13 7.753 1.927 0.285 0.441 0.750 0.417 CA 1.280 13 residues pruned to eliminate duplicates Z: 9 9.196 1.734 0.810 0.483 0.750 0.625 N 1.405 9 residues pruned to eliminate duplicates Z: 10 9.006 1.758 1.030 0.442 0.667 0.556 N 1.340 9 residues pruned to eliminate duplicates Z: 9 10.341 1.698 0.742 0.596 1.000 0.625 CA 1.129 9 residues pruned to eliminate duplicates Z: 36 16.335 1.840 0.490 0.384 0.886 0.571 CB 1.286 36 residues pruned to eliminate duplicates Z: 22 8.489 1.764 0.246 0.380 0.810 0.524 CA 1.183 22 residues pruned to eliminate duplicates Z: 38 17.573 1.828 0.508 0.427 0.892 0.432 CB 1.268 38 residues pruned to eliminate duplicates Z: 68 30.108 1.927 0.647 0.499 0.910 0.597 CB 1.274 82 residues pruned to eliminate duplicates Z: 9 9.192 1.745 0.514 0.773 0.875 0.750 CA 1.104 9 residues pruned to eliminate duplicates Z: 28 15.906 1.846 0.619 0.481 0.889 0.444 CB 1.174 28 residues pruned to eliminate duplicates Z: 38 17.897 1.875 0.508 0.432 0.865 0.324 CB 1.290 38 residues pruned to eliminate duplicates Z: 41 20.090 1.844 0.639 0.420 0.950 0.475 CB 1.203 41 residues pruned to eliminate duplicates Z: 7 5.528 1.627 0.716 0.341 0.833 0.667 CB 1.154 7 residues pruned to eliminate duplicates Z: 35 16.128 1.860 0.502 0.414 0.882 0.500 CB 1.227 35 residues pruned to eliminate duplicates Z: 34 16.663 1.862 0.492 0.433 0.939 0.515 CB 1.191 34 residues pruned to eliminate duplicates Z: 44 17.051 1.832 0.456 0.396 0.907 0.395 CB 1.199 44 residues pruned to eliminate duplicates Z: 39 18.898 1.835 0.545 0.431 0.921 0.500 CB 1.261 39 residues pruned to eliminate duplicates Z: 39 19.113 1.812 0.692 0.421 0.921 0.447 CB 1.192 39 residues pruned to eliminate duplicates Z: 31 18.932 1.878 0.599 0.449 0.933 0.567 CB 1.300 35 residues pruned to eliminate duplicates Z: 6 5.055 1.651 0.697 0.356 0.800 0.400 CA 1.178 6 residues pruned to eliminate duplicates Z: 31 14.707 1.906 0.514 0.420 0.800 0.367 CB 1.265 31 residues pruned to eliminate duplicates Z: 44 18.647 1.833 0.639 0.425 0.860 0.442 CB 1.190 35 residues pruned to eliminate duplicates Z: 6 5.882 1.857 0.407 0.796 0.600 0.400 CB 1.294 6 residues pruned to eliminate duplicates Z: 21 11.133 1.706 0.592 0.447 0.750 0.350 CB 1.291 21 residues pruned to eliminate duplicates Z: 38 15.511 1.881 0.498 0.367 0.865 0.405 CB 1.208 38 residues pruned to eliminate duplicates Z: 18 11.052 1.814 0.554 0.528 0.824 0.471 CB 1.124 18 residues pruned to eliminate duplicates Z: 39 17.303 1.833 0.517 0.430 0.868 0.421 CB 1.250 39 residues pruned to eliminate duplicates Z: 20 13.258 1.843 0.605 0.498 0.895 0.632 CB 1.151 20 residues pruned to eliminate duplicates Z: 44 16.081 1.774 0.427 0.439 0.907 0.558 CB 1.138 44 residues pruned to eliminate duplicates Z: 38 17.008 1.878 0.557 0.391 0.919 0.514 CB 1.168 38 residues pruned to eliminate duplicates Z: 27 14.248 1.911 0.671 0.373 0.808 0.423 CB 1.241 27 residues pruned to eliminate duplicates Z: 43 17.697 1.869 0.496 0.434 0.881 0.476 CB 1.187 43 residues pruned to eliminate duplicates Z: 16 17.093 1.975 0.995 0.641 0.800 0.600 CB 1.227 16 residues pruned to eliminate duplicates Z: 6 2.503 1.713 0.186 0.100 1.000 0.400 CA 0.918 6 residues pruned to eliminate duplicates Z: 17 18.437 1.917 0.926 0.657 0.938 0.562 CB 1.151 17 residues pruned to eliminate duplicates Z: 18 16.498 1.838 0.836 0.676 0.882 0.471 CB 1.142 18 residues pruned to eliminate duplicates Z: 16 20.522 1.875 1.098 0.673 1.000 0.600 CB 1.149 16 residues pruned to eliminate duplicates Z: 17 16.551 1.869 0.884 0.675 0.875 0.625 CB 1.143 17 residues pruned to eliminate duplicates Z: 17 13.446 1.952 0.893 0.622 0.875 0.750 CB 0.927 17 residues pruned to eliminate duplicates Z: 16 21.577 1.895 1.037 0.732 0.933 0.667 CB 1.255 16 residues pruned to eliminate duplicates Z: 24 19.572 1.908 0.715 0.590 0.870 0.609 CB 1.316 24 residues pruned to eliminate duplicates Z: 17 25.210 1.957 1.114 0.711 1.000 0.625 CB 1.259 17 residues pruned to eliminate duplicates Z: 14 23.534 1.976 1.105 0.744 1.000 0.769 CB 1.262 14 residues pruned to eliminate duplicates Z: 17 19.470 1.932 0.938 0.662 0.938 0.688 CB 1.193 17 residues pruned to eliminate duplicates Z: 15 21.862 1.930 1.013 0.711 0.929 0.857 CB 1.337 15 residues pruned to eliminate duplicates Z: 16 18.859 1.954 0.723 0.658 0.933 0.733 CB 1.337 16 residues pruned to eliminate duplicates Z: 14 19.229 1.906 0.718 0.751 0.846 0.538 CB 1.538 14 residues pruned to eliminate duplicates Z: 14 19.288 1.908 0.908 0.685 0.769 0.538 CB 1.612 14 residues pruned to eliminate duplicates Z: 16 22.251 1.903 0.783 0.693 0.933 0.533 CB 1.521 16 residues pruned to eliminate duplicates Z: 16 17.198 1.831 0.636 0.621 0.867 0.533 CB 1.525 16 residues pruned to eliminate duplicates Z: 16 16.466 1.886 0.643 0.692 0.867 0.533 CB 1.328 16 residues pruned to eliminate duplicates Z: 16 17.029 1.831 0.659 0.744 0.933 0.733 CB 1.247 16 residues pruned to eliminate duplicates Z: 16 16.685 1.845 0.714 0.671 0.867 0.533 CB 1.343 16 residues pruned to eliminate duplicates Z: 15 17.811 1.814 0.853 0.636 0.857 0.357 CA 1.454 15 residues pruned to eliminate duplicates Z: 21 21.278 1.802 0.828 0.694 0.950 0.550 CB 1.274 21 residues pruned to eliminate duplicates Z: 16 11.692 1.830 0.601 0.572 0.733 0.267 CB 1.310 16 residues pruned to eliminate duplicates Z: 21 15.309 1.736 0.660 0.583 0.800 0.450 CB 1.371 21 residues pruned to eliminate duplicates Z: 18 17.724 1.772 0.710 0.653 0.941 0.588 CB 1.307 18 residues pruned to eliminate duplicates Z: 17 17.469 1.791 0.650 0.641 0.875 0.625 CA 1.481 17 residues pruned to eliminate duplicates Z: 33 21.205 1.876 0.421 0.629 0.906 0.719 CB 1.375 46 residues pruned to eliminate duplicates Z: 26 24.193 1.873 0.501 0.783 1.000 0.880 CA 1.342 28 residues pruned to eliminate duplicates Z: 26 21.206 1.792 0.507 0.772 0.920 0.880 CA 1.342 26 residues pruned to eliminate duplicates Z: 14 11.315 1.716 0.210 0.591 1.000 0.692 CB 1.386 14 residues pruned to eliminate duplicates Z: 28 23.799 1.902 0.550 0.721 0.926 0.741 CB 1.374 28 residues pruned to eliminate duplicates Z: 20 20.293 1.930 0.331 0.842 0.947 0.947 CB 1.426 20 residues pruned to eliminate duplicates Z: 21 10.734 1.645 0.448 0.406 0.950 0.550 CB 1.171 15 residues pruned to eliminate duplicates Z: 23 24.279 1.846 0.450 0.891 1.000 0.864 CA 1.391 23 residues pruned to eliminate duplicates Z: 20 22.086 1.976 0.359 0.815 1.000 0.947 CA 1.435 27 residues pruned to eliminate duplicates Z: 22 23.789 1.902 0.483 0.827 0.952 0.810 CB 1.456 22 residues pruned to eliminate duplicates Z: 31 19.421 1.827 0.325 0.684 0.933 0.633 CB 1.326 31 residues pruned to eliminate duplicates Z: 19 22.628 1.878 0.556 0.772 1.000 0.778 CA 1.436 19 residues pruned to eliminate duplicates Z: 22 29.671 1.952 0.657 0.883 1.000 0.952 CB 1.447 22 residues pruned to eliminate duplicates Z: 39 27.694 1.858 0.631 0.686 0.974 0.763 CB 1.284 39 residues pruned to eliminate duplicates Z: 30 21.502 1.846 0.344 0.716 0.966 0.897 CB 1.371 30 residues pruned to eliminate duplicates Z: 30 21.446 1.846 0.359 0.730 0.966 0.862 CA 1.338 30 residues pruned to eliminate duplicates Z: 25 21.391 1.913 0.364 0.721 1.000 0.750 CB 1.371 25 residues pruned to eliminate duplicates Z: 30 20.599 1.914 0.446 0.680 0.897 0.655 CB 1.307 30 residues pruned to eliminate duplicates Z: 53 23.764 1.844 0.426 0.609 0.923 0.635 CB 1.224 52 residues pruned to eliminate duplicates Z: 22 24.528 1.896 0.718 0.883 1.000 0.571 CB 1.188 22 residues pruned to eliminate duplicates Z: 62 30.439 1.841 0.722 0.597 0.967 0.590 CB 1.159 62 residues pruned to eliminate duplicates Z: 35 21.951 1.868 0.755 0.616 0.941 0.500 CB 1.093 35 residues pruned to eliminate duplicates Z: 76 34.731 1.905 0.607 0.610 0.933 0.640 CB 1.265 76 residues pruned to eliminate duplicates Z: 15 10.647 1.716 0.790 0.462 0.857 0.571 CB 1.124 15 residues pruned to eliminate duplicates Z: 77 33.662 1.888 0.635 0.589 0.921 0.461 CB 1.247 77 residues pruned to eliminate duplicates Z: 40 16.447 1.790 0.570 0.531 0.846 0.385 CB 1.075 40 residues pruned to eliminate duplicates Z: 22 8.292 1.667 0.395 0.296 0.857 0.381 CB 1.141 22 residues pruned to eliminate duplicates Z: 80 32.143 1.865 0.551 0.573 0.962 0.532 CB 1.211 80 residues pruned to eliminate duplicates Z: 36 25.350 1.881 0.719 0.625 0.971 0.600 CB 1.213 36 residues pruned to eliminate duplicates Z: 43 18.728 1.842 0.392 0.502 0.905 0.429 CB 1.244 43 residues pruned to eliminate duplicates Z: 56 22.465 1.863 0.417 0.480 0.945 0.527 CB 1.238 56 residues pruned to eliminate duplicates Z: 88 30.191 1.802 0.655 0.466 0.931 0.517 CB 1.206 88 residues pruned to eliminate duplicates Z: 53 25.259 1.905 0.547 0.495 0.923 0.558 CB 1.294 53 residues pruned to eliminate duplicates Z: 47 23.697 1.900 0.508 0.562 0.913 0.543 CB 1.258 47 residues pruned to eliminate duplicates Z: 67 28.273 1.889 0.561 0.501 0.909 0.500 CB 1.298 67 residues pruned to eliminate duplicates Z: 46 14.143 1.785 0.232 0.328 0.867 0.378 CB 1.337 46 residues pruned to eliminate duplicates Z: 7 3.747 1.704 0.041 0.520 0.833 0.833 CB 1.014 7 residues pruned to eliminate duplicates Z: 48 22.798 1.858 0.483 0.556 0.915 0.574 CB 1.249 48 residues pruned to eliminate duplicates Z: 47 21.074 1.860 0.550 0.537 0.848 0.630 CB 1.226 47 residues pruned to eliminate duplicates Z: 40 25.140 1.889 0.571 0.559 0.949 0.564 CB 1.350 40 residues pruned to eliminate duplicates Z: 44 23.695 1.881 0.575 0.524 0.884 0.674 CB 1.348 44 residues pruned to eliminate duplicates Z: 39 25.109 1.890 0.600 0.573 0.921 0.474 CB 1.363 39 residues pruned to eliminate duplicates Z: 37 23.070 1.920 0.441 0.548 0.944 0.556 CB 1.404 37 residues pruned to eliminate duplicates Z: 11 12.286 1.812 0.766 0.509 0.900 0.600 CB 1.338 11 residues pruned to eliminate duplicates Z: 48 22.061 1.873 0.470 0.518 0.915 0.596 CB 1.255 48 residues pruned to eliminate duplicates Z: 56 21.047 1.828 0.569 0.461 0.873 0.582 CB 1.180 56 residues pruned to eliminate duplicates Z: 47 21.714 1.858 0.502 0.555 0.913 0.652 CB 1.191 47 residues pruned to eliminate duplicates Z: 37 21.780 1.918 0.436 0.536 0.944 0.639 CB 1.346 37 residues pruned to eliminate duplicates Z: 43 21.969 1.894 0.492 0.534 0.929 0.643 CB 1.249 43 residues pruned to eliminate duplicates Z: 39 22.371 1.864 0.576 0.525 0.895 0.632 CB 1.347 39 residues pruned to eliminate duplicates Z: 44 23.611 1.909 0.564 0.525 0.884 0.628 CB 1.331 44 residues pruned to eliminate duplicates Z: 42 23.327 1.898 0.536 0.512 0.927 0.683 CB 1.333 42 residues pruned to eliminate duplicates Z: 78 31.541 1.885 0.573 0.514 0.961 0.519 CB 1.244 78 residues pruned to eliminate duplicates Z: 42 15.740 1.836 0.303 0.389 0.951 0.610 CB 1.214 42 residues pruned to eliminate duplicates Z: 37 25.585 1.919 0.570 0.578 0.972 0.722 CB 1.351 37 residues pruned to eliminate duplicates Z: 38 27.320 1.924 0.550 0.606 0.973 0.703 CB 1.399 38 residues pruned to eliminate duplicates Z: 48 22.082 1.838 0.559 0.476 0.936 0.596 CB 1.230 48 residues pruned to eliminate duplicates Z: 44 21.586 1.904 0.400 0.525 0.953 0.651 CB 1.264 44 residues pruned to eliminate duplicates Z: 39 22.035 1.860 0.584 0.484 0.895 0.605 CA 1.378 39 residues pruned to eliminate duplicates Z: 39 25.597 1.925 0.620 0.549 0.947 0.658 CB 1.341 39 residues pruned to eliminate duplicates Z: 42 23.662 1.854 0.582 0.544 0.902 0.683 CB 1.337 42 residues pruned to eliminate duplicates Z: 31 25.554 1.954 0.640 0.590 0.967 0.667 CB 1.383 31 residues pruned to eliminate duplicates Z: 39 22.245 1.897 0.460 0.540 0.921 0.632 CB 1.360 39 residues pruned to eliminate duplicates Z: 38 23.146 1.919 0.644 0.558 0.892 0.730 CB 1.278 38 residues pruned to eliminate duplicates Z: 44 20.979 1.878 0.530 0.505 0.884 0.674 CB 1.254 44 residues pruned to eliminate duplicates Z: 39 25.111 1.895 0.715 0.539 0.895 0.553 CB 1.347 39 residues pruned to eliminate duplicates Z: 75 26.666 1.843 0.570 0.489 0.905 0.568 CB 1.197 75 residues pruned to eliminate duplicates Z: 38 25.893 1.910 0.680 0.585 0.946 0.649 CB 1.292 38 residues pruned to eliminate duplicates Z: 38 24.428 1.885 0.664 0.524 0.946 0.595 CB 1.321 38 residues pruned to eliminate duplicates Z: 47 23.949 1.868 0.585 0.495 0.935 0.587 CB 1.282 47 residues pruned to eliminate duplicates Z: 44 24.808 1.917 0.596 0.529 0.930 0.535 CB 1.292 44 residues pruned to eliminate duplicates Z: 37 26.422 1.925 0.717 0.554 0.944 0.500 CB 1.339 37 residues pruned to eliminate duplicates Z: 44 23.450 1.827 0.571 0.507 0.953 0.558 CB 1.297 44 residues pruned to eliminate duplicates Z: 37 22.715 1.894 0.593 0.496 0.944 0.694 CB 1.334 37 residues pruned to eliminate duplicates Z: 12 9.037 1.753 0.605 0.670 0.818 0.455 CB 1.012 12 residues pruned to eliminate duplicates Z: 11 10.413 1.772 0.607 0.609 0.900 0.700 CB 1.158 11 residues pruned to eliminate duplicates Z: 10 8.577 1.750 0.339 0.596 1.000 0.444 CB 1.114 10 residues pruned to eliminate duplicates Z: 14 8.496 1.679 0.351 0.549 0.923 0.615 CB 1.074 14 residues pruned to eliminate duplicates Z: 46 23.832 1.850 0.709 0.468 0.867 0.489 CB 1.340 45 residues pruned to eliminate duplicates Z: 11 9.353 1.522 0.379 0.716 1.000 0.500 CA 1.159 11 residues pruned to eliminate duplicates Z: 37 20.881 1.896 0.578 0.476 0.917 0.528 CB 1.300 37 residues pruned to eliminate duplicates Z: 64 27.231 1.873 0.731 0.469 0.841 0.556 CB 1.298 114 residues pruned to eliminate duplicates Z: 15 9.001 1.762 0.334 0.597 0.857 0.643 CA 1.088 Z: 10 6.614 1.709 0.195 0.669 0.889 0.667 CA 1.039 10 residues pruned to eliminate duplicates Z: 37 20.323 1.869 0.469 0.481 0.944 0.639 CB 1.332 15 residues pruned to eliminate duplicates Z: 6 5.154 1.498 0.901 0.449 0.800 0.600 CB 1.066 6 residues pruned to eliminate duplicates Z: 28 19.891 1.882 0.713 0.436 0.926 0.593 CA 1.370 28 residues pruned to eliminate duplicates Z: 6 2.310 1.457 0.397 0.415 0.800 0.400 CA 0.693 6 residues pruned to eliminate duplicates Z: 44 21.783 1.827 0.632 0.448 0.860 0.581 CB 1.365 37 residues pruned to eliminate duplicates Z: 10 8.510 1.579 0.389 0.638 1.000 0.333 CA 1.136 10 residues pruned to eliminate duplicates Z: 36 20.084 1.919 0.555 0.473 0.886 0.514 CB 1.320 43 residues pruned to eliminate duplicates Z: 7 5.988 1.621 0.033 0.821 1.000 0.500 CA 1.105 7 residues pruned to eliminate duplicates Z: 40 18.795 1.884 0.512 0.462 0.846 0.641 CB 1.297 40 residues pruned to eliminate duplicates Z: 7 8.564 1.855 0.322 0.824 0.833 0.333 CB 1.291 7 residues pruned to eliminate duplicates Z: 36 17.330 1.858 0.458 0.449 0.857 0.543 CB 1.328 36 residues pruned to eliminate duplicates Z: 29 18.944 1.866 0.663 0.398 0.929 0.500 CB 1.384 29 residues pruned to eliminate duplicates Z: 39 20.530 1.867 0.593 0.467 0.895 0.526 CB 1.294 39 residues pruned to eliminate duplicates Z: 50 20.470 1.827 0.608 0.386 0.857 0.592 CB 1.312 40 residues pruned to eliminate duplicates Z: 6 3.113 1.317 0.395 0.359 1.000 1.000 N 0.882 6 residues pruned to eliminate duplicates Z: 9 6.709 1.722 0.555 0.365 0.875 0.625 CA 1.171 9 residues pruned to eliminate duplicates Z: 24 11.913 1.810 0.383 0.447 0.913 0.478 CB 1.147 24 residues pruned to eliminate duplicates Z: 32 12.746 1.750 0.458 0.375 0.903 0.548 CB 1.134 32 residues pruned to eliminate duplicates Z: 24 11.284 1.747 0.649 0.437 0.826 0.348 CB 1.055 24 residues pruned to eliminate duplicates Z: 32 12.481 1.753 0.345 0.442 0.839 0.484 CB 1.203 32 residues pruned to eliminate duplicates Z: 24 12.132 1.777 0.504 0.450 0.870 0.609 CB 1.146 24 residues pruned to eliminate duplicates Z: 34 12.118 1.749 0.315 0.415 0.879 0.576 CB 1.140 35 residues pruned to eliminate duplicates Z: 7 6.258 1.765 0.559 0.610 0.833 0.667 CB 1.004 7 residues pruned to eliminate duplicates Z: 34 13.239 1.735 0.450 0.389 0.909 0.606 CB 1.133 34 residues pruned to eliminate duplicates Z: 46 17.152 1.741 0.560 0.456 0.889 0.333 CB 1.108 57 residues pruned to eliminate duplicates Z: 7 5.797 1.507 0.701 0.859 0.833 0.833 CB 0.815 7 residues pruned to eliminate duplicates Z: 39 15.512 1.748 0.506 0.370 0.921 0.474 CB 1.194 40 residues pruned to eliminate duplicates Z: 8 4.777 1.592 0.568 0.822 1.000 0.571 CB 0.547 8 residues pruned to eliminate duplicates Z: 36 14.954 1.766 0.439 0.402 0.914 0.600 CB 1.206 36 residues pruned to eliminate duplicates Z: 32 12.161 1.764 0.505 0.380 0.806 0.613 CB 1.159 32 residues pruned to eliminate duplicates Z: 6 3.032 1.671 0.350 0.325 0.600 0.400 CB 1.214 6 residues pruned to eliminate duplicates Z: 17 10.182 1.768 0.635 0.559 0.875 0.500 CB 0.951 17 residues pruned to eliminate duplicates Z: 9 12.977 1.725 0.692 0.899 0.875 0.875 CB 1.283 9 residues pruned to eliminate duplicates Z: 14 9.709 1.618 0.515 0.499 0.846 0.538 CB 1.300 9 residues pruned to eliminate duplicates Z: 11 14.748 1.616 0.734 0.846 0.900 0.500 CA 1.374 11 residues pruned to eliminate duplicates Z: 18 11.527 1.588 0.762 0.599 0.941 0.412 CB 0.966 18 residues pruned to eliminate duplicates Z: 11 14.027 1.716 0.685 0.717 0.900 0.500 CB 1.401 11 residues pruned to eliminate duplicates Z: 17 9.510 1.550 0.447 0.536 0.938 0.688 CB 1.091 17 residues pruned to eliminate duplicates Z: 15 9.493 1.557 0.369 0.648 0.929 0.571 CB 1.117 15 residues pruned to eliminate duplicates Z: 20 12.267 1.639 0.536 0.477 0.895 0.632 CB 1.278 38 residues pruned to eliminate duplicates Z: 13 14.320 1.905 0.650 0.780 1.000 0.750 CB 1.027 15 residues pruned to eliminate duplicates Z: 12 15.669 1.935 0.627 0.803 1.000 0.727 CB 1.152 12 residues pruned to eliminate duplicates Z: 24 21.005 1.906 0.623 0.641 0.957 0.652 CB 1.297 22 residues pruned to eliminate duplicates Z: 13 22.666 1.756 1.046 0.891 1.000 0.583 CB 1.310 14 residues pruned to eliminate duplicates Z: 12 22.804 1.795 1.066 0.907 1.000 0.636 CB 1.318 12 residues pruned to eliminate duplicates Z: 18 13.564 1.796 0.796 0.641 0.824 0.412 CB 1.085 18 residues pruned to eliminate duplicates Z: 17 13.743 1.856 0.842 0.702 0.875 0.562 CB 0.955 17 residues pruned to eliminate duplicates Z: 16 14.789 1.834 0.639 0.709 0.933 0.600 CB 1.126 16 residues pruned to eliminate duplicates Z: 23 22.450 1.925 0.810 0.657 0.955 0.682 CB 1.244 24 residues pruned to eliminate duplicates Z: 11 16.998 1.868 0.862 0.919 1.000 0.800 CB 1.089 11 residues pruned to eliminate duplicates Z: 27 20.635 1.875 0.641 0.591 0.962 0.577 CB 1.254 27 residues pruned to eliminate duplicates Z: 27 23.831 1.869 0.894 0.611 0.923 0.654 CB 1.288 23 residues pruned to eliminate duplicates Z: 14 16.774 1.878 0.841 0.776 0.923 0.769 CB 1.143 14 residues pruned to eliminate duplicates Z: 57 25.970 1.824 0.658 0.582 0.911 0.625 CB 1.165 74 residues pruned to eliminate duplicates Z: 6 2.458 1.376 0.480 0.374 1.000 0.600 CA 0.618 6 residues pruned to eliminate duplicates Z: 29 21.300 1.824 0.803 0.634 0.964 0.607 CB 1.120 29 residues pruned to eliminate duplicates Z: 10 18.208 1.955 0.958 0.628 1.000 0.778 CA 1.406 10 residues pruned to eliminate duplicates Z: 27 22.571 1.870 0.906 0.652 0.962 0.577 CB 1.122 27 residues pruned to eliminate duplicates Z: 12 12.432 1.813 0.899 0.490 0.909 0.818 CA 1.209 12 residues pruned to eliminate duplicates Z: 12 13.671 1.867 0.651 0.568 1.000 0.818 CA 1.253 12 residues pruned to eliminate duplicates Z: 14 10.078 1.736 0.557 0.452 0.923 0.692 CA 1.177 14 residues pruned to eliminate duplicates Z: 12 13.745 1.842 0.766 0.464 0.909 0.818 CA 1.453 12 residues pruned to eliminate duplicates Z: 34 12.767 1.741 0.332 0.417 0.909 0.545 CB 1.150 34 residues pruned to eliminate duplicates Z: 9 5.070 1.612 -0.021 0.502 0.875 0.750 CB 1.295 Z: 8 5.946 1.629 0.261 0.461 0.857 0.714 CA 1.327 9 residues pruned to eliminate duplicates Z: 7 9.177 1.748 0.338 0.646 1.000 0.833 CB 1.397 8 residues pruned to eliminate duplicates Z: 7 6.788 1.714 0.315 0.523 0.833 0.500 CB 1.443 7 residues pruned to eliminate duplicates Z: 27 9.310 1.670 0.290 0.303 0.923 0.538 CB 1.144 34 residues pruned to eliminate duplicates Z: 35 11.538 1.688 0.402 0.357 0.912 0.412 CB 1.071 35 residues pruned to eliminate duplicates Z: 8 5.960 1.739 0.258 0.553 1.000 0.714 CA 0.978 Z: 7 2.637 1.665 0.234 0.352 1.000 0.500 CA 0.615 3 residues pruned to eliminate duplicates Z: 6 2.949 1.350 0.554 0.577 0.800 0.200 CA 0.730 6 residues pruned to eliminate duplicates Z: 54 25.449 1.926 0.638 0.546 0.868 0.547 CB 1.220 66 residues pruned to eliminate duplicates Z: 44 21.449 1.861 0.611 0.503 0.884 0.558 CB 1.231 44 residues pruned to eliminate duplicates Z: 52 24.149 1.930 0.617 0.545 0.863 0.608 CB 1.202 52 residues pruned to eliminate duplicates Z: 36 19.787 1.960 0.629 0.521 0.914 0.600 CB 1.123 36 residues pruned to eliminate duplicates Z: 31 21.688 1.961 0.651 0.575 0.967 0.600 CB 1.177 31 residues pruned to eliminate duplicates Z: 27 18.439 1.925 0.765 0.467 0.885 0.538 CB 1.244 27 residues pruned to eliminate duplicates Z: 52 26.103 1.945 0.614 0.562 0.902 0.608 CB 1.215 52 residues pruned to eliminate duplicates Z: 36 20.221 1.968 0.536 0.527 0.914 0.629 CB 1.205 36 residues pruned to eliminate duplicates Z: 26 17.570 1.964 0.671 0.567 0.920 0.600 CB 1.091 Z: 15 17.820 1.972 0.666 0.784 1.000 0.857 CB 1.129 16 residues pruned to eliminate duplicates Z: 14 18.220 1.909 0.686 0.744 1.000 0.692 CB 1.261 14 residues pruned to eliminate duplicates Z: 50 26.108 1.952 0.550 0.535 0.939 0.510 CB 1.269 75 residues pruned to eliminate duplicates Z: 37 24.226 1.925 0.678 0.605 0.972 0.528 CB 1.163 Z: 13 17.260 1.849 0.621 0.889 1.000 0.750 CB 1.196 13 residues pruned to eliminate duplicates Z: 32 21.980 1.978 0.805 0.553 0.935 0.677 CB 1.122 69 residues pruned to eliminate duplicates Z: 70 29.421 1.911 0.663 0.479 0.870 0.638 CB 1.310 70 residues pruned to eliminate duplicates Z: 39 22.747 1.949 0.682 0.455 0.895 0.737 CB 1.317 40 residues pruned to eliminate duplicates Z: 6 9.058 1.628 0.530 0.855 1.000 0.800 CA 1.200 6 residues pruned to eliminate duplicates Z: 42 20.010 1.869 0.613 0.440 0.902 0.561 CB 1.222 42 residues pruned to eliminate duplicates Z: 39 17.706 1.863 0.573 0.451 0.842 0.553 CB 1.223 39 residues pruned to eliminate duplicates Z: 14 6.030 1.722 0.291 0.467 0.615 0.462 CB 1.264 12 residues pruned to eliminate duplicates Z: 12 10.498 1.820 0.618 0.549 0.818 0.455 CB 1.252 12 residues pruned to eliminate duplicates Z: 45 18.648 1.870 0.524 0.414 0.886 0.477 CB 1.218 45 residues pruned to eliminate duplicates Z: 38 19.631 1.937 0.602 0.439 0.919 0.486 CB 1.205 38 residues pruned to eliminate duplicates Z: 21 14.877 1.788 0.616 0.394 0.950 0.650 CB 1.355 21 residues pruned to eliminate duplicates Z: 44 18.755 1.882 0.617 0.423 0.860 0.512 CB 1.184 43 residues pruned to eliminate duplicates Z: 15 11.442 1.717 0.335 0.646 1.000 0.357 CB 1.165 17 residues pruned to eliminate duplicates Z: 11 8.229 1.691 0.389 0.502 0.900 0.700 CB 1.228 11 residues pruned to eliminate duplicates Z: 32 18.221 1.900 0.715 0.400 0.903 0.548 CB 1.235 32 residues pruned to eliminate duplicates Z: 40 20.461 1.878 0.637 0.478 0.897 0.538 CB 1.214 40 residues pruned to eliminate duplicates Z: 39 15.520 1.874 0.466 0.446 0.868 0.526 CB 1.115 39 residues pruned to eliminate duplicates Z: 40 22.299 1.920 0.622 0.471 0.897 0.590 CB 1.315 40 residues pruned to eliminate duplicates Z: 23 10.189 1.808 0.388 0.339 0.773 0.364 CB 1.335 23 residues pruned to eliminate duplicates Z: 35 22.500 1.936 0.620 0.492 0.912 0.676 CB 1.361 35 residues pruned to eliminate duplicates Z: 25 17.287 1.867 0.492 0.413 0.958 0.583 CB 1.449 25 residues pruned to eliminate duplicates Z: 37 22.273 1.930 0.639 0.448 0.917 0.639 CB 1.350 37 residues pruned to eliminate duplicates Z: 39 19.197 1.925 0.471 0.460 0.895 0.684 CB 1.281 39 residues pruned to eliminate duplicates Z: 34 19.231 1.931 0.541 0.411 0.909 0.697 CB 1.359 34 residues pruned to eliminate duplicates Z: 39 19.426 1.916 0.572 0.447 0.895 0.447 CB 1.235 39 residues pruned to eliminate duplicates Z: 40 17.208 1.903 0.535 0.400 0.897 0.641 CB 1.168 40 residues pruned to eliminate duplicates Z: 36 20.609 1.923 0.623 0.419 0.971 0.686 CB 1.251 36 residues pruned to eliminate duplicates Z: 38 20.145 1.955 0.615 0.400 0.919 0.595 CB 1.268 38 residues pruned to eliminate duplicates Z: 19 10.728 1.909 0.477 0.451 0.889 0.611 CB 1.060 19 residues pruned to eliminate duplicates Z: 40 21.659 1.952 0.598 0.446 0.897 0.667 CB 1.310 40 residues pruned to eliminate duplicates Z: 42 21.447 1.944 0.632 0.456 0.902 0.707 CB 1.223 42 residues pruned to eliminate duplicates Z: 18 12.329 1.917 0.518 0.464 0.882 0.412 CB 1.208 18 residues pruned to eliminate duplicates Z: 44 18.049 1.871 0.471 0.422 0.907 0.605 CB 1.196 44 residues pruned to eliminate duplicates Z: 36 19.804 1.923 0.631 0.418 0.943 0.657 CB 1.233 36 residues pruned to eliminate duplicates Z: 41 20.095 1.861 0.496 0.448 0.925 0.600 CB 1.302 41 residues pruned to eliminate duplicates Z: 40 21.665 1.926 0.641 0.431 0.949 0.564 CB 1.243 40 residues pruned to eliminate duplicates Z: 6 2.163 1.194 0.344 0.440 0.800 0.400 CB 0.802 6 residues pruned to eliminate duplicates Z: 29 16.352 1.760 0.617 0.473 0.964 0.607 CB 1.157 29 residues pruned to eliminate duplicates Z: 48 27.444 1.953 0.450 0.673 0.894 0.660 CB 1.349 48 residues pruned to eliminate duplicates Z: 16 14.508 1.839 0.559 0.685 0.933 0.600 CB 1.181 16 residues pruned to eliminate duplicates Z: 47 29.007 1.975 0.431 0.692 0.957 0.739 CB 1.327 47 residues pruned to eliminate duplicates Z: 15 17.584 1.884 0.565 0.742 0.929 0.714 CB 1.382 15 residues pruned to eliminate duplicates Z: 11 16.946 1.968 0.623 0.751 1.000 0.600 CB 1.340 11 residues pruned to eliminate duplicates Z: 17 14.367 1.843 0.560 0.709 0.938 0.812 CB 1.103 17 residues pruned to eliminate duplicates Z: 19 13.705 1.787 0.738 0.600 0.833 0.611 CB 1.134 19 residues pruned to eliminate duplicates Z: 18 17.412 1.831 0.715 0.667 0.882 0.647 CB 1.306 18 residues pruned to eliminate duplicates Z: 16 16.371 1.849 0.629 0.699 0.933 0.533 CA 1.255 16 residues pruned to eliminate duplicates Z: 20 14.806 1.833 0.653 0.606 0.842 0.526 CB 1.204 20 residues pruned to eliminate duplicates Z: 17 13.472 1.823 0.587 0.683 0.938 0.688 CB 1.049 17 residues pruned to eliminate duplicates Z: 17 15.077 1.842 0.722 0.684 0.938 0.688 CB 1.070 17 residues pruned to eliminate duplicates Z: 18 15.398 1.813 0.592 0.644 0.941 0.588 CB 1.202 18 residues pruned to eliminate duplicates Z: 14 13.893 2.018 0.546 0.502 1.000 0.769 CB 1.233 14 residues pruned to eliminate duplicates Z: 43 28.634 1.976 0.594 0.661 0.929 0.690 CB 1.301 43 residues pruned to eliminate duplicates Z: 85 39.832 1.983 0.591 0.609 0.952 0.655 CB 1.304 85 residues pruned to eliminate duplicates Z: 29 22.682 2.055 0.212 0.736 0.964 0.821 CA 1.444 29 residues pruned to eliminate duplicates Z: 15 13.728 2.031 0.270 0.578 0.929 0.643 CA 1.421 15 residues pruned to eliminate duplicates Z: 43 24.223 1.953 0.446 0.629 0.929 0.571 CB 1.263 43 residues pruned to eliminate duplicates Z: 29 28.033 2.066 0.568 0.699 0.964 0.786 CB 1.414 29 residues pruned to eliminate duplicates Z: 35 21.589 1.915 0.343 0.606 0.941 0.706 CA 1.383 35 residues pruned to eliminate duplicates Z: 27 25.450 2.080 0.444 0.738 0.923 0.769 CA 1.455 27 residues pruned to eliminate duplicates Z: 29 24.060 2.074 0.425 0.703 0.964 0.821 CB 1.326 29 residues pruned to eliminate duplicates Z: 16 12.819 1.935 0.539 0.499 0.867 0.600 CB 1.285 16 residues pruned to eliminate duplicates Z: 38 27.736 2.016 0.596 0.659 0.919 0.649 CB 1.330 38 residues pruned to eliminate duplicates Z: 31 26.613 2.043 0.607 0.696 0.933 0.667 CB 1.325 31 residues pruned to eliminate duplicates Z: 25 33.522 2.124 0.659 0.824 1.000 0.792 CB 1.466 25 residues pruned to eliminate duplicates Z: 30 23.970 2.055 0.644 0.670 0.897 0.655 CB 1.257 30 residues pruned to eliminate duplicates Z: 29 26.321 2.050 0.615 0.693 0.893 0.643 CB 1.409 29 residues pruned to eliminate duplicates Z: 27 29.054 2.074 0.829 0.741 0.923 0.731 CB 1.312 27 residues pruned to eliminate duplicates Z: 28 31.005 2.073 0.811 0.722 0.963 0.704 CB 1.351 28 residues pruned to eliminate duplicates Z: 28 32.200 2.094 0.648 0.748 0.963 0.741 CB 1.494 28 residues pruned to eliminate duplicates Z: 35 26.882 2.043 0.710 0.624 0.941 0.529 CB 1.248 35 residues pruned to eliminate duplicates Z: 33 28.404 1.985 0.680 0.665 0.938 0.750 CB 1.379 33 residues pruned to eliminate duplicates Z: 29 30.247 2.037 0.841 0.698 0.964 0.750 CB 1.320 29 residues pruned to eliminate duplicates Z: 27 34.076 2.092 0.775 0.749 0.962 0.692 CB 1.499 27 residues pruned to eliminate duplicates Z: 27 30.163 2.051 0.826 0.730 0.962 0.654 CB 1.336 27 residues pruned to eliminate duplicates Z: 30 28.627 2.030 0.806 0.685 0.931 0.724 CB 1.314 30 residues pruned to eliminate duplicates Z: 36 30.275 2.022 0.760 0.672 1.000 0.629 CB 1.227 36 residues pruned to eliminate duplicates Z: 35 27.884 2.024 0.634 0.698 0.941 0.588 CB 1.282 35 residues pruned to eliminate duplicates Z: 43 29.205 1.940 0.780 0.595 0.952 0.619 CB 1.251 43 residues pruned to eliminate duplicates Z: 35 31.203 1.999 0.778 0.684 0.971 0.676 CB 1.310 35 residues pruned to eliminate duplicates Z: 50 33.955 1.997 0.726 0.659 0.959 0.551 CB 1.266 50 residues pruned to eliminate duplicates Z: 81 41.632 2.012 0.707 0.624 0.925 0.600 CB 1.304 81 residues pruned to eliminate duplicates Z: 60 32.814 1.913 0.611 0.677 0.966 0.542 CB 1.219 60 residues pruned to eliminate duplicates Z: 41 25.544 1.983 0.633 0.597 0.900 0.550 CB 1.263 41 residues pruned to eliminate duplicates Z: 85 41.156 1.972 0.646 0.651 0.940 0.702 CB 1.278 85 residues pruned to eliminate duplicates Z: 79 42.400 2.016 0.689 0.621 0.949 0.628 CB 1.325 79 residues pruned to eliminate duplicates Z: 85 39.945 1.985 0.610 0.611 0.940 0.631 CB 1.305 85 residues pruned to eliminate duplicates Z: 43 27.040 1.999 0.555 0.642 0.952 0.643 CB 1.234 43 residues pruned to eliminate duplicates Z: 40 29.479 2.033 0.593 0.687 0.949 0.615 CB 1.294 40 residues pruned to eliminate duplicates Z: 7 3.483 1.747 0.228 0.350 0.833 0.167 CB 0.935 7 residues pruned to eliminate duplicates Z: 51 26.958 1.917 0.686 0.570 0.920 0.580 CB 1.199 51 residues pruned to eliminate duplicates Z: 50 29.032 1.935 0.733 0.594 0.898 0.592 CB 1.260 50 residues pruned to eliminate duplicates Z: 21 12.825 1.755 0.340 0.454 0.950 0.550 CB 1.346 19 residues pruned to eliminate duplicates Z: 17 13.571 1.732 0.569 0.578 1.000 0.438 CB 1.158 16 residues pruned to eliminate duplicates Z: 12 7.141 1.870 0.293 0.539 0.727 0.545 CB 1.179 12 residues pruned to eliminate duplicates Z: 16 10.783 1.844 0.387 0.469 1.000 0.733 CB 1.124 16 residues pruned to eliminate duplicates Z: 17 11.878 1.847 0.522 0.437 0.938 0.688 CB 1.202 17 residues pruned to eliminate duplicates Z: 17 11.399 1.814 0.340 0.445 0.938 0.500 CB 1.323 17 residues pruned to eliminate duplicates Z: 22 11.268 1.853 0.435 0.365 0.905 0.619 CB 1.180 22 residues pruned to eliminate duplicates Z: 19 11.542 1.840 0.594 0.360 0.944 0.500 CB 1.142 19 residues pruned to eliminate duplicates Z: 22 10.962 1.903 0.389 0.398 0.857 0.429 CB 1.176 22 residues pruned to eliminate duplicates Z: 25 14.623 1.776 0.547 0.516 0.875 0.583 CB 1.221 28 residues pruned to eliminate duplicates Z: 7 3.745 1.585 0.378 0.396 0.833 0.500 CA 0.937 7 residues pruned to eliminate duplicates Z: 22 12.014 1.887 0.455 0.396 0.857 0.571 CB 1.243 22 residues pruned to eliminate duplicates Z: 23 10.026 1.822 0.516 0.295 0.773 0.455 CB 1.259 23 residues pruned to eliminate duplicates Z: 41 13.772 1.796 0.484 0.337 0.850 0.450 CB 1.148 41 residues pruned to eliminate duplicates Z: 17 8.883 1.829 0.427 0.360 0.812 0.500 CB 1.218 17 residues pruned to eliminate duplicates Z: 23 12.963 1.843 0.609 0.401 0.909 0.591 CB 1.137 23 residues pruned to eliminate duplicates Z: 21 6.339 1.574 0.454 0.280 0.850 0.500 CB 0.934 21 residues pruned to eliminate duplicates Z: 29 12.298 1.851 0.528 0.276 0.821 0.571 CB 1.289 29 residues pruned to eliminate duplicates Z: 22 12.912 1.856 0.547 0.389 0.952 0.524 CB 1.159 22 residues pruned to eliminate duplicates Z: 35 13.841 1.796 0.512 0.338 0.882 0.500 CB 1.183 35 residues pruned to eliminate duplicates Z: 39 12.601 1.757 0.397 0.327 0.816 0.447 CB 1.235 39 residues pruned to eliminate duplicates Z: 36 18.429 1.844 0.568 0.391 0.914 0.543 CB 1.323 36 residues pruned to eliminate duplicates Z: 18 8.949 1.838 0.387 0.286 0.824 0.412 CB 1.316 18 residues pruned to eliminate duplicates Z: 8 4.122 1.716 0.401 0.283 0.714 0.143 CA 1.158 8 residues pruned to eliminate duplicates Z: 43 15.678 1.830 0.412 0.319 0.976 0.476 CB 1.171 43 residues pruned to eliminate duplicates Z: 19 8.326 1.740 0.712 0.244 0.778 0.389 CB 1.139 19 residues pruned to eliminate duplicates Z: 28 14.396 1.848 0.574 0.373 0.889 0.444 CB 1.227 28 residues pruned to eliminate duplicates Z: 19 7.652 1.861 0.537 0.251 0.722 0.389 CB 1.163 19 residues pruned to eliminate duplicates Z: 39 13.246 1.848 0.461 0.313 0.816 0.553 CB 1.201 39 residues pruned to eliminate duplicates Z: 19 10.911 1.829 0.420 0.245 0.944 0.389 CB 1.407 19 residues pruned to eliminate duplicates Z: 21 9.109 1.828 0.427 0.245 0.850 0.450 CB 1.234 21 residues pruned to eliminate duplicates Z: 41 17.386 1.849 0.478 0.355 0.925 0.500 CB 1.272 40 residues pruned to eliminate duplicates Z: 7 3.306 1.286 0.670 0.569 1.000 0.833 CA 0.588 6 residues pruned to eliminate duplicates Z: 6 7.617 1.753 0.516 0.456 1.000 0.400 N 1.341 6 residues pruned to eliminate duplicates Z: 35 32.036 2.002 0.694 0.680 0.941 0.824 CA 1.458 35 residues pruned to eliminate duplicates Z: 34 34.607 2.073 0.703 0.684 0.970 0.758 CA 1.485 34 residues pruned to eliminate duplicates Z: 7 8.886 1.801 0.713 0.613 1.000 1.000 CA 1.056 7 residues pruned to eliminate duplicates Z: 6 9.867 1.918 0.946 0.464 1.000 0.600 CA 1.226 6 residues pruned to eliminate duplicates Z: 44 25.528 1.949 0.611 0.526 0.860 0.651 CB 1.405 44 residues pruned to eliminate duplicates Z: 29 19.240 1.873 0.704 0.429 0.893 0.536 CB 1.374 29 residues pruned to eliminate duplicates Z: 47 34.223 1.958 0.697 0.592 0.978 0.652 CB 1.422 48 residues pruned to eliminate duplicates Z: 8 9.794 1.738 0.777 0.425 1.000 0.571 CA 1.296 8 residues pruned to eliminate duplicates Z: 45 33.426 1.986 0.746 0.584 0.932 0.682 CB 1.439 45 residues pruned to eliminate duplicates Z: 30 19.967 1.922 0.590 0.494 0.931 0.621 CB 1.312 30 residues pruned to eliminate duplicates Z: 46 29.968 1.972 0.555 0.546 0.978 0.644 CA 1.426 46 residues pruned to eliminate duplicates Z: 37 25.283 1.992 0.480 0.573 0.944 0.583 CB 1.411 37 residues pruned to eliminate duplicates Z: 46 28.464 1.945 0.643 0.512 0.956 0.600 CB 1.373 46 residues pruned to eliminate duplicates Z: 29 21.831 1.968 0.486 0.550 0.964 0.571 CB 1.394 29 residues pruned to eliminate duplicates Z: 45 29.516 1.972 0.612 0.526 0.932 0.659 CA 1.465 45 residues pruned to eliminate duplicates Z: 38 27.812 2.003 0.552 0.574 0.946 0.703 CB 1.448 38 residues pruned to eliminate duplicates Z: 45 34.109 1.990 0.769 0.589 0.909 0.705 CB 1.475 46 residues pruned to eliminate duplicates Z: 6 5.885 1.682 0.807 0.390 1.000 0.800 CA 0.972 6 residues pruned to eliminate duplicates Z: 45 32.476 1.986 0.674 0.580 0.932 0.659 CA 1.463 45 residues pruned to eliminate duplicates Z: 58 31.261 1.975 0.709 0.521 0.912 0.719 CB 1.317 73 residues pruned to eliminate duplicates Z: 6 4.798 1.681 0.370 0.391 1.000 0.400 CA 1.046 6 residues pruned to eliminate duplicates Z: 45 34.584 1.987 0.717 0.595 0.955 0.682 CA 1.463 45 residues pruned to eliminate duplicates Z: 80 43.463 2.022 0.683 0.622 0.911 0.595 CB 1.405 80 residues pruned to eliminate duplicates Z: 33 19.482 1.926 0.668 0.406 0.844 0.500 CB 1.403 33 residues pruned to eliminate duplicates Z: 46 32.797 1.962 0.677 0.573 0.978 0.733 CB 1.416 46 residues pruned to eliminate duplicates Z: 45 34.279 1.978 0.683 0.572 0.977 0.750 CA 1.482 45 residues pruned to eliminate duplicates Z: 38 30.494 1.998 0.643 0.610 0.946 0.730 CA 1.455 38 residues pruned to eliminate duplicates Z: 45 33.015 1.985 0.713 0.577 0.955 0.705 CA 1.423 45 residues pruned to eliminate duplicates Z: 46 29.774 1.969 0.650 0.538 0.911 0.489 CB 1.445 45 residues pruned to eliminate duplicates Z: 12 14.560 1.838 0.721 0.862 0.909 0.636 CB 1.121 12 residues pruned to eliminate duplicates Z: 45 31.648 1.992 0.681 0.558 0.932 0.682 CB 1.445 45 residues pruned to eliminate duplicates Z: 45 29.419 1.982 0.688 0.537 0.886 0.614 CB 1.443 45 residues pruned to eliminate duplicates Z: 47 31.752 1.973 0.691 0.549 0.957 0.522 CB 1.399 48 residues pruned to eliminate duplicates Z: 14 14.941 1.917 0.671 0.753 0.923 0.615 CB 1.118 14 residues pruned to eliminate duplicates Z: 44 35.863 1.987 0.835 0.591 0.953 0.674 CB 1.441 44 residues pruned to eliminate duplicates Z: 46 32.621 1.976 0.669 0.565 0.956 0.600 CB 1.450 46 residues pruned to eliminate duplicates Z: 44 34.853 1.995 0.759 0.569 0.977 0.605 CB 1.450 44 residues pruned to eliminate duplicates Z: 45 30.506 1.967 0.692 0.549 0.909 0.614 CB 1.450 45 residues pruned to eliminate duplicates Z: 18 19.961 1.919 0.748 0.683 0.882 0.588 CA 1.382 18 residues pruned to eliminate duplicates Z: 41 27.441 1.942 0.652 0.550 0.925 0.650 CB 1.392 41 residues pruned to eliminate duplicates Z: 45 32.637 1.989 0.702 0.553 0.955 0.636 CA 1.446 45 residues pruned to eliminate duplicates Z: 48 33.507 1.980 0.747 0.554 0.936 0.638 CB 1.432 48 residues pruned to eliminate duplicates Z: 46 31.108 1.973 0.713 0.532 0.933 0.600 CA 1.425 46 residues pruned to eliminate duplicates Z: 37 19.801 1.884 0.548 0.496 0.944 0.528 CB 1.202 36 residues pruned to eliminate duplicates Z: 7 5.597 1.424 0.641 0.477 0.833 0.167 O 1.201 Z: 7 2.699 1.335 0.624 0.287 0.667 0.167 CA 0.968 8 residues pruned to eliminate duplicates Z: 27 29.062 1.939 0.660 0.792 0.962 0.808 CA 1.426 27 residues pruned to eliminate duplicates Z: 26 35.529 2.098 0.710 0.820 1.000 0.840 CA 1.501 26 residues pruned to eliminate duplicates Z: 28 25.318 1.979 0.528 0.735 0.889 0.741 CA 1.468 28 residues pruned to eliminate duplicates Z: 29 27.620 2.044 0.418 0.717 0.929 0.786 CB 1.594 29 residues pruned to eliminate duplicates Z: 33 30.187 2.075 0.553 0.705 0.938 0.781 CB 1.467 33 residues pruned to eliminate duplicates Z: 23 27.641 2.057 0.602 0.859 0.909 0.773 CB 1.448 23 residues pruned to eliminate duplicates Z: 27 31.604 2.040 0.594 0.789 0.962 0.731 CA 1.537 27 residues pruned to eliminate duplicates Z: 26 35.494 2.100 0.683 0.818 0.960 0.640 CA 1.588 26 residues pruned to eliminate duplicates Z: 29 29.109 2.000 0.594 0.725 0.964 0.714 CA 1.461 29 residues pruned to eliminate duplicates Z: 26 35.757 2.092 0.651 0.839 0.960 0.720 CB 1.611 26 residues pruned to eliminate duplicates Z: 26 37.972 2.090 0.775 0.836 0.960 0.720 CB 1.597 26 residues pruned to eliminate duplicates Z: 27 34.527 2.062 0.790 0.783 0.923 0.615 CB 1.549 27 residues pruned to eliminate duplicates Z: 27 38.473 2.074 0.831 0.778 0.962 0.692 CB 1.617 27 residues pruned to eliminate duplicates Z: 45 34.813 1.910 0.763 0.687 0.932 0.500 CB 1.410 26 residues pruned to eliminate duplicates Z: 23 35.833 2.046 0.925 0.905 0.955 0.591 CB 1.446 23 residues pruned to eliminate duplicates Z: 28 36.102 2.010 0.937 0.749 0.963 0.519 CB 1.484 28 residues pruned to eliminate duplicates Z: 29 35.037 2.020 0.976 0.711 0.893 0.500 CB 1.534 29 residues pruned to eliminate duplicates Z: 27 36.159 2.049 0.864 0.779 0.962 0.500 CB 1.510 27 residues pruned to eliminate duplicates Z: 26 37.780 2.074 0.839 0.824 0.960 0.720 CB 1.559 26 residues pruned to eliminate duplicates Z: 28 35.785 2.055 0.847 0.759 0.963 0.667 CB 1.497 28 residues pruned to eliminate duplicates Z: 27 35.044 2.055 0.820 0.764 1.000 0.769 CB 1.453 27 residues pruned to eliminate duplicates Z: 27 32.115 2.064 0.728 0.773 1.000 0.808 CB 1.388 27 residues pruned to eliminate duplicates Z: 10 4.004 1.631 0.483 0.351 0.778 0.556 CB 0.833 10 residues pruned to eliminate duplicates Z: 40 22.845 1.918 0.825 0.476 0.897 0.513 CB 1.193 41 residues pruned to eliminate duplicates Z: 6 3.164 1.491 0.305 0.383 0.800 0.600 N 1.031 6 residues pruned to eliminate duplicates Z: 18 13.184 1.886 0.640 0.353 0.941 0.294 CB 1.288 18 residues pruned to eliminate duplicates Z: 17 13.833 1.976 0.763 0.383 0.875 0.438 CB 1.284 17 residues pruned to eliminate duplicates Z: 19 12.944 1.914 0.811 0.343 0.833 0.389 CB 1.253 19 residues pruned to eliminate duplicates Z: 30 20.149 1.922 0.682 0.583 0.931 0.483 CB 1.148 30 residues pruned to eliminate duplicates Z: 14 12.422 1.731 0.707 0.591 0.846 0.615 CB 1.263 14 residues pruned to eliminate duplicates Z: 7 4.828 1.988 0.421 0.397 1.000 0.333 CB 0.778 7 residues pruned to eliminate duplicates Z: 37 21.082 1.920 0.764 0.520 0.861 0.528 CB 1.181 36 residues pruned to eliminate duplicates Z: 12 17.835 1.991 1.056 0.879 1.000 0.727 CB 0.953 12 residues pruned to eliminate duplicates Z: 23 18.325 1.999 0.910 0.579 0.864 0.545 CB 1.098 23 residues pruned to eliminate duplicates Z: 26 20.173 1.994 0.936 0.553 0.920 0.520 CB 1.078 26 residues pruned to eliminate duplicates Z: 28 19.356 1.934 1.052 0.551 0.926 0.556 CB 0.964 27 residues pruned to eliminate duplicates Z: 13 15.130 1.904 0.798 0.922 1.000 0.833 CB 0.897 13 residues pruned to eliminate duplicates Z: 26 16.843 1.946 0.635 0.552 0.920 0.680 CB 1.094 26 residues pruned to eliminate duplicates Z: 44 22.519 1.862 0.750 0.498 0.930 0.628 CB 1.135 44 residues pruned to eliminate duplicates Z: 36 19.531 1.937 0.703 0.494 0.886 0.543 CB 1.137 38 residues pruned to eliminate duplicates Z: 13 17.176 1.898 0.725 0.885 1.000 0.833 CB 1.093 13 residues pruned to eliminate duplicates Z: 26 17.724 1.914 0.756 0.554 0.880 0.680 CB 1.137 26 residues pruned to eliminate duplicates Z: 50 22.714 1.781 0.553 0.558 0.898 0.653 CB 1.234 50 residues pruned to eliminate duplicates Z: 22 10.962 1.803 0.265 0.484 0.857 0.810 CB 1.244 Z: 7 4.528 1.645 0.432 0.295 0.833 0.500 CA 1.185 7 residues pruned to eliminate duplicates Z: 44 21.123 1.833 0.510 0.489 0.884 0.605 CB 1.331 66 residues pruned to eliminate duplicates Z: 41 21.836 1.867 0.470 0.627 0.900 0.750 CB 1.240 41 residues pruned to eliminate duplicates Z: 20 10.941 1.824 0.334 0.457 0.895 0.632 CB 1.205 Z: 6 2.900 1.625 0.129 0.383 1.000 0.800 CA 0.800 6 residues pruned to eliminate duplicates Z: 13 10.486 1.941 0.302 0.481 0.917 0.750 CB 1.332 14 residues pruned to eliminate duplicates Z: 7 2.010 1.529 0.203 0.104 0.667 0.333 CB 1.108 7 residues pruned to eliminate duplicates Z: 45 22.051 1.846 0.388 0.550 0.932 0.636 CB 1.326 64 residues pruned to eliminate duplicates Z: 44 16.621 1.779 0.379 0.478 0.884 0.605 CB 1.194 44 residues pruned to eliminate duplicates Z: 24 13.227 1.768 0.437 0.441 0.870 0.565 CB 1.327 Z: 14 19.699 1.805 0.645 0.814 1.000 0.692 CB 1.401 14 residues pruned to eliminate duplicates Z: 26 18.532 1.808 0.571 0.680 0.960 0.760 CB 1.152 26 residues pruned to eliminate duplicates Z: 25 18.384 1.855 0.549 0.539 0.917 0.625 CA 1.371 25 residues pruned to eliminate duplicates Z: 26 19.348 1.823 0.507 0.689 0.960 0.680 CB 1.234 26 residues pruned to eliminate duplicates Z: 44 23.773 1.874 0.487 0.550 0.977 0.698 CB 1.268 68 residues pruned to eliminate duplicates Z: 41 21.225 1.862 0.354 0.510 1.000 0.650 CB 1.318 41 residues pruned to eliminate duplicates Z: 48 23.517 1.830 0.432 0.571 0.957 0.660 CB 1.276 48 residues pruned to eliminate duplicates Z: 31 19.055 1.854 0.555 0.593 0.900 0.600 CB 1.228 31 residues pruned to eliminate duplicates Z: 45 20.748 1.819 0.387 0.576 0.955 0.705 CB 1.208 45 residues pruned to eliminate duplicates Z: 25 17.530 1.826 0.487 0.672 0.917 0.542 CB 1.227 25 residues pruned to eliminate duplicates Z: 27 20.216 1.813 0.609 0.675 0.962 0.615 CB 1.203 27 residues pruned to eliminate duplicates Z: 49 22.979 1.802 0.437 0.545 0.958 0.604 CB 1.279 49 residues pruned to eliminate duplicates Z: 49 23.376 1.807 0.504 0.559 0.958 0.583 CB 1.223 49 residues pruned to eliminate duplicates Z: 48 22.015 1.836 0.515 0.540 0.894 0.532 CB 1.242 48 residues pruned to eliminate duplicates Z: 28 19.029 1.765 0.609 0.615 0.963 0.407 CB 1.202 28 residues pruned to eliminate duplicates Z: 49 22.323 1.793 0.504 0.543 0.917 0.479 CB 1.249 49 residues pruned to eliminate duplicates Z: 30 22.501 1.878 0.559 0.625 1.000 0.517 CB 1.268 30 residues pruned to eliminate duplicates Z: 47 22.336 1.848 0.619 0.518 0.891 0.522 CB 1.213 47 residues pruned to eliminate duplicates Z: 26 18.469 1.791 0.572 0.729 0.960 0.560 CB 1.112 26 residues pruned to eliminate duplicates Z: 26 16.997 1.776 0.515 0.620 0.960 0.520 CB 1.175 26 residues pruned to eliminate duplicates Z: 26 18.201 1.795 0.444 0.662 1.000 0.600 CB 1.209 26 residues pruned to eliminate duplicates Z: 48 23.298 1.842 0.446 0.544 0.957 0.638 CB 1.276 48 residues pruned to eliminate duplicates Z: 41 29.012 1.981 0.560 0.545 0.950 0.525 CB 1.494 41 residues pruned to eliminate duplicates Z: 19 15.782 1.878 0.653 0.390 0.889 0.389 CB 1.515 19 residues pruned to eliminate duplicates Z: 18 13.500 1.912 0.656 0.392 0.824 0.529 CA 1.409 18 residues pruned to eliminate duplicates Z: 34 24.293 1.980 0.570 0.483 0.939 0.545 CB 1.474 34 residues pruned to eliminate duplicates Z: 16 11.413 1.841 0.760 0.421 0.800 0.400 CB 1.234 16 residues pruned to eliminate duplicates Z: 19 16.211 1.933 0.658 0.370 0.944 0.500 CB 1.450 19 residues pruned to eliminate duplicates Z: 21 12.476 1.899 0.464 0.304 0.900 0.400 CB 1.387 21 residues pruned to eliminate duplicates Z: 18 14.489 1.956 0.511 0.383 0.882 0.353 CB 1.527 18 residues pruned to eliminate duplicates Z: 42 26.807 1.963 0.584 0.497 0.927 0.610 CB 1.457 42 residues pruned to eliminate duplicates Z: 41 30.181 1.997 0.720 0.508 0.950 0.600 CB 1.451 41 residues pruned to eliminate duplicates Z: 41 30.734 2.003 0.729 0.517 0.950 0.625 CB 1.452 41 residues pruned to eliminate duplicates Z: 34 25.463 1.984 0.679 0.475 0.939 0.515 CB 1.454 34 residues pruned to eliminate duplicates Z: 42 28.524 1.977 0.729 0.472 0.927 0.683 CB 1.447 42 residues pruned to eliminate duplicates Z: 15 20.421 1.920 0.798 0.700 1.000 0.643 CA 1.318 15 residues pruned to eliminate duplicates Z: 41 30.677 1.998 0.770 0.493 0.950 0.500 CB 1.453 41 residues pruned to eliminate duplicates Z: 23 22.463 2.030 0.686 0.558 1.000 0.591 CB 1.323 23 residues pruned to eliminate duplicates Z: 43 29.503 1.955 0.824 0.461 0.929 0.429 CB 1.432 43 residues pruned to eliminate duplicates Z: 42 27.831 1.967 0.788 0.466 0.927 0.488 CB 1.381 42 residues pruned to eliminate duplicates Z: 32 25.555 2.004 0.699 0.501 0.935 0.452 CB 1.439 32 residues pruned to eliminate duplicates Z: 42 32.100 1.985 0.860 0.464 0.927 0.415 CB 1.520 42 residues pruned to eliminate duplicates Z: 41 28.688 1.970 0.824 0.464 0.925 0.525 CB 1.415 41 residues pruned to eliminate duplicates Z: 21 15.285 1.877 0.824 0.475 0.800 0.350 CB 1.279 21 residues pruned to eliminate duplicates Z: 40 29.517 1.982 0.839 0.493 0.923 0.513 CB 1.415 40 residues pruned to eliminate duplicates Z: 28 27.269 1.996 0.859 0.570 0.963 0.407 CB 1.373 28 residues pruned to eliminate duplicates Z: 42 26.869 1.944 0.803 0.454 0.927 0.512 CB 1.353 42 residues pruned to eliminate duplicates Z: 39 29.512 1.996 0.762 0.480 0.974 0.447 CB 1.427 39 residues pruned to eliminate duplicates Z: 40 31.803 2.009 0.861 0.495 0.949 0.615 CA 1.442 41 residues pruned to eliminate duplicates Z: 7 4.940 1.446 1.136 0.373 0.833 0.333 CA 0.897 7 residues pruned to eliminate duplicates Z: 41 31.891 1.970 0.854 0.495 0.975 0.450 CB 1.423 41 residues pruned to eliminate duplicates Z: 40 32.331 2.023 0.819 0.515 0.923 0.538 CB 1.502 40 residues pruned to eliminate duplicates Z: 41 28.855 1.920 0.849 0.501 0.900 0.450 CB 1.427 41 residues pruned to eliminate duplicates Z: 40 30.758 1.998 0.818 0.515 0.923 0.513 CB 1.448 40 residues pruned to eliminate duplicates Z: 41 31.686 1.976 0.863 0.500 0.950 0.600 CB 1.433 42 residues pruned to eliminate duplicates Z: 9 7.764 1.613 0.242 0.819 0.875 0.750 CB 1.187 9 residues pruned to eliminate duplicates Z: 7 3.384 1.651 -0.031 0.475 0.833 0.667 CB 1.063 5 residues pruned to eliminate duplicates Z: 9 8.895 1.541 0.256 0.837 1.000 0.625 CA 1.215 9 residues pruned to eliminate duplicates Z: 14 8.178 1.578 0.233 0.665 1.000 0.615 CB 1.001 13 residues pruned to eliminate duplicates Z: 10 9.762 1.666 0.200 0.801 1.000 0.667 CB 1.252 10 residues pruned to eliminate duplicates Z: 14 8.572 1.584 0.236 0.647 1.000 0.769 CB 1.059 14 residues pruned to eliminate duplicates Z: 14 8.178 1.498 0.384 0.620 0.923 0.615 CB 1.057 14 residues pruned to eliminate duplicates Z: 18 6.449 1.521 0.205 0.512 0.824 0.529 CB 1.023 18 residues pruned to eliminate duplicates Z: 7 7.004 1.575 0.726 0.613 1.000 1.000 CA 0.946 Z: 6 3.319 1.525 0.571 0.409 0.800 0.800 CA 0.852 6 residues pruned to eliminate duplicates Z: 43 22.115 1.931 0.625 0.491 0.881 0.619 CB 1.245 45 residues pruned to eliminate duplicates Z: 10 5.778 1.367 0.634 0.539 0.889 0.667 CA 0.934 10 residues pruned to eliminate duplicates Z: 41 21.043 1.950 0.646 0.481 0.875 0.550 CB 1.207 41 residues pruned to eliminate duplicates Z: 6 7.173 1.796 0.536 0.363 1.000 0.600 CA 1.348 6 residues pruned to eliminate duplicates Z: 16 11.045 1.738 0.594 0.441 0.867 0.467 CB 1.262 16 residues pruned to eliminate duplicates Z: 41 21.917 1.917 0.511 0.470 0.950 0.450 CB 1.299 41 residues pruned to eliminate duplicates Z: 19 14.729 2.019 0.419 0.560 0.944 0.667 CB 1.210 19 residues pruned to eliminate duplicates Z: 29 11.764 1.837 0.422 0.311 0.929 0.500 CB 1.129 29 residues pruned to eliminate duplicates Z: 36 21.743 1.983 0.707 0.510 0.943 0.657 CB 1.141 36 residues pruned to eliminate duplicates Z: 26 19.913 1.990 0.691 0.504 0.960 0.560 CB 1.228 26 residues pruned to eliminate duplicates Z: 36 24.597 1.976 0.772 0.536 0.943 0.514 CB 1.216 36 residues pruned to eliminate duplicates Z: 35 22.792 2.018 0.611 0.521 0.941 0.647 CB 1.252 35 residues pruned to eliminate duplicates Z: 25 19.245 2.021 0.727 0.594 0.958 0.667 CB 1.073 25 residues pruned to eliminate duplicates Z: 42 19.011 1.843 0.570 0.481 0.854 0.585 CB 1.226 42 residues pruned to eliminate duplicates Z: 26 17.660 1.992 0.778 0.621 0.880 0.560 CB 1.012 26 residues pruned to eliminate duplicates Z: 40 23.009 1.895 0.691 0.516 0.923 0.641 CB 1.226 40 residues pruned to eliminate duplicates Z: 25 20.591 2.033 0.705 0.591 1.000 0.667 CB 1.111 25 residues pruned to eliminate duplicates Z: 16 14.693 1.773 0.956 0.778 0.933 0.533 CB 0.917 16 residues pruned to eliminate duplicates Z: 54 28.929 1.965 0.534 0.625 0.906 0.642 CB 1.293 73 residues pruned to eliminate duplicates Z: 12 20.147 2.010 0.955 0.877 1.000 0.727 CB 1.122 12 residues pruned to eliminate duplicates Z: 58 23.231 1.880 0.561 0.525 0.877 0.526 CB 1.166 58 residues pruned to eliminate duplicates Z: 26 22.818 1.998 0.895 0.560 0.960 0.680 CB 1.184 26 residues pruned to eliminate duplicates Z: 27 20.225 1.965 0.848 0.598 0.923 0.731 CB 1.078 27 residues pruned to eliminate duplicates Z: 38 23.392 1.960 0.729 0.501 0.919 0.649 CB 1.234 38 residues pruned to eliminate duplicates Z: 9 9.772 1.934 0.794 0.498 0.875 0.750 CA 1.140 9 residues pruned to eliminate duplicates Z: 10 10.576 1.880 0.673 0.503 0.889 0.778 CA 1.257 10 residues pruned to eliminate duplicates Z: 36 23.535 1.973 0.679 0.533 0.914 0.657 CB 1.272 36 residues pruned to eliminate duplicates Z: 41 34.288 2.097 0.739 0.490 0.950 0.500 CB 1.582 41 residues pruned to eliminate duplicates Z: 18 16.503 1.937 0.861 0.336 0.882 0.294 CA 1.506 18 residues pruned to eliminate duplicates Z: 40 38.729 2.079 0.932 0.519 0.949 0.718 CB 1.597 40 residues pruned to eliminate duplicates Z: 41 36.355 2.066 0.953 0.498 0.925 0.600 CB 1.543 41 residues pruned to eliminate duplicates Z: 19 21.213 2.038 0.786 0.362 1.000 0.389 CA 1.594 19 residues pruned to eliminate duplicates Z: 27 12.076 1.879 0.753 0.230 0.692 0.423 CB 1.422 27 residues pruned to eliminate duplicates Z: 40 33.561 2.107 0.837 0.505 0.897 0.615 CB 1.539 40 residues pruned to eliminate duplicates Z: 19 18.295 2.008 0.783 0.369 0.944 0.500 CB 1.468 19 residues pruned to eliminate duplicates Z: 41 34.369 2.065 0.803 0.495 0.950 0.475 CB 1.544 41 residues pruned to eliminate duplicates Z: 40 35.815 2.097 0.820 0.516 0.949 0.615 CA 1.558 40 residues pruned to eliminate duplicates Z: 14 26.970 2.098 0.860 0.704 1.000 0.615 CA 1.592 14 residues pruned to eliminate duplicates Z: 39 32.829 2.084 0.802 0.505 0.895 0.474 CB 1.577 39 residues pruned to eliminate duplicates Z: 40 32.318 2.067 0.863 0.475 0.872 0.564 CB 1.582 40 residues pruned to eliminate duplicates Z: 40 34.502 2.095 0.906 0.478 0.897 0.462 CB 1.577 40 residues pruned to eliminate duplicates Z: 40 30.295 2.068 0.714 0.475 0.923 0.564 CB 1.520 40 residues pruned to eliminate duplicates Z: 40 31.224 2.085 0.805 0.468 0.872 0.564 CB 1.574 40 residues pruned to eliminate duplicates Z: 33 28.529 2.050 0.962 0.442 0.938 0.531 CB 1.420 33 residues pruned to eliminate duplicates Z: 25 29.875 2.051 0.836 0.611 0.958 0.542 CB 1.522 25 residues pruned to eliminate duplicates Z: 30 29.868 2.054 0.817 0.555 0.931 0.586 CB 1.513 30 residues pruned to eliminate duplicates Z: 41 35.240 2.074 0.855 0.477 0.925 0.500 CB 1.603 41 residues pruned to eliminate duplicates Z: 40 38.372 2.074 0.970 0.503 0.974 0.615 CB 1.539 40 residues pruned to eliminate duplicates Z: 16 27.326 2.095 0.963 0.690 1.000 0.733 CA 1.442 16 residues pruned to eliminate duplicates Z: 41 36.604 2.049 0.964 0.484 0.950 0.650 CB 1.539 41 residues pruned to eliminate duplicates Z: 29 33.666 2.094 0.981 0.531 0.929 0.750 CA 1.602 29 residues pruned to eliminate duplicates Z: 40 39.337 2.093 0.967 0.510 0.949 0.538 CB 1.597 40 residues pruned to eliminate duplicates Z: 41 36.167 2.080 0.959 0.493 0.900 0.575 CB 1.570 41 residues pruned to eliminate duplicates Z: 14 13.187 1.915 0.620 0.699 1.000 0.538 CB 0.983 Z: 14 17.574 1.869 0.784 0.775 1.000 0.769 CB 1.147 13 residues pruned to eliminate duplicates Z: 11 16.376 2.017 0.632 0.909 1.000 1.000 CB 1.117 11 residues pruned to eliminate duplicates Z: 11 14.823 1.858 0.506 0.888 1.000 0.900 CB 1.207 11 residues pruned to eliminate duplicates Z: 22 10.712 1.857 0.367 0.499 0.905 0.524 CB 1.019 22 residues pruned to eliminate duplicates Z: 12 13.090 2.033 0.374 0.802 1.000 0.818 CB 1.086 12 residues pruned to eliminate duplicates Z: 28 15.766 1.904 0.338 0.568 0.963 0.667 CB 1.158 15 residues pruned to eliminate duplicates Z: 12 16.709 1.987 0.741 0.925 0.909 0.909 CB 1.125 12 residues pruned to eliminate duplicates Z: 17 13.830 1.881 0.551 0.600 0.938 0.562 CB 1.149 16 residues pruned to eliminate duplicates Z: 12 16.215 2.016 0.666 0.933 1.000 0.909 CB 1.016 12 residues pruned to eliminate duplicates Z: 16 11.527 1.978 0.318 0.622 1.000 0.533 CB 1.018 16 residues pruned to eliminate duplicates Z: 36 18.332 1.885 0.535 0.540 0.943 0.657 CB 1.093 71 residues pruned to eliminate duplicates Z: 36 19.037 1.938 0.470 0.536 0.914 0.686 CB 1.193 36 residues pruned to eliminate duplicates Z: 34 19.505 1.889 0.631 0.484 0.909 0.424 CB 1.232 34 residues pruned to eliminate duplicates Z: 12 8.677 1.853 0.222 0.511 0.909 0.455 CB 1.257 Z: 6 11.200 1.739 0.462 0.805 1.000 0.800 CB 1.510 6 residues pruned to eliminate duplicates Z: 36 20.771 1.982 0.447 0.484 0.914 0.629 CB 1.360 36 residues pruned to eliminate duplicates Z: 39 19.864 1.949 0.487 0.450 0.868 0.553 CB 1.347 39 residues pruned to eliminate duplicates Z: 23 16.239 2.041 0.346 0.461 0.909 0.682 CB 1.443 23 residues pruned to eliminate duplicates Z: 38 23.189 1.930 0.549 0.534 0.892 0.622 CB 1.382 38 residues pruned to eliminate duplicates Z: 45 21.262 1.955 0.525 0.450 0.886 0.591 CB 1.277 45 residues pruned to eliminate duplicates Z: 38 19.117 1.964 0.422 0.441 0.892 0.568 CB 1.341 38 residues pruned to eliminate duplicates Z: 37 24.490 1.973 0.545 0.485 0.944 0.694 CB 1.440 37 residues pruned to eliminate duplicates Z: 38 22.136 1.948 0.585 0.464 0.919 0.622 CB 1.331 38 residues pruned to eliminate duplicates Z: 24 18.639 2.083 0.541 0.405 0.913 0.652 CB 1.467 24 residues pruned to eliminate duplicates Z: 38 24.833 1.958 0.653 0.481 0.919 0.568 CB 1.399 38 residues pruned to eliminate duplicates Z: 38 23.179 1.964 0.630 0.462 0.892 0.541 CB 1.388 38 residues pruned to eliminate duplicates Z: 31 23.520 2.012 0.622 0.506 0.933 0.600 CB 1.401 31 residues pruned to eliminate duplicates Z: 30 23.760 2.048 0.586 0.475 0.966 0.586 CB 1.442 30 residues pruned to eliminate duplicates Z: 37 23.276 1.997 0.610 0.469 0.917 0.611 CB 1.359 37 residues pruned to eliminate duplicates Z: 29 24.887 2.055 0.575 0.484 0.964 0.714 CA 1.531 29 residues pruned to eliminate duplicates Z: 37 23.948 1.976 0.716 0.469 0.944 0.667 CB 1.285 37 residues pruned to eliminate duplicates Z: 36 25.853 2.025 0.706 0.477 0.943 0.629 CB 1.373 36 residues pruned to eliminate duplicates Z: 31 22.895 1.977 0.660 0.455 0.900 0.567 CB 1.482 31 residues pruned to eliminate duplicates Z: 37 24.016 2.002 0.573 0.478 0.917 0.611 CB 1.418 37 residues pruned to eliminate duplicates Z: 37 23.862 1.992 0.655 0.461 0.944 0.500 CB 1.329 37 residues pruned to eliminate duplicates Z: 33 22.488 1.922 0.707 0.505 0.906 0.625 CB 1.330 33 residues pruned to eliminate duplicates Z: 38 23.131 1.944 0.663 0.459 0.865 0.676 CB 1.419 38 residues pruned to eliminate duplicates Z: 37 27.711 2.011 0.710 0.496 0.972 0.722 CB 1.387 37 residues pruned to eliminate duplicates Z: 36 23.529 2.016 0.523 0.470 0.943 0.543 CB 1.417 36 residues pruned to eliminate duplicates Z: 37 22.323 1.972 0.619 0.441 0.944 0.556 CB 1.311 37 residues pruned to eliminate duplicates Z: 12 12.897 1.821 0.660 0.585 1.000 0.727 CB 1.186 12 residues pruned to eliminate duplicates Z: 19 12.245 1.868 0.631 0.430 0.833 0.389 CB 1.222 19 residues pruned to eliminate duplicates Z: 17 16.375 1.941 0.783 0.516 0.875 0.500 CB 1.331 17 residues pruned to eliminate duplicates Z: 37 25.243 1.993 0.705 0.505 0.889 0.667 CB 1.387 37 residues pruned to eliminate duplicates Z: 38 25.935 1.954 0.664 0.484 0.946 0.568 CA 1.408 38 residues pruned to eliminate duplicates Z: 38 23.873 1.903 0.634 0.492 0.919 0.676 CB 1.386 38 residues pruned to eliminate duplicates Z: 37 26.654 1.991 0.732 0.506 0.917 0.667 CB 1.397 37 residues pruned to eliminate duplicates Z: 48 30.669 1.944 0.662 0.589 0.957 0.702 CB 1.327 48 residues pruned to eliminate duplicates Z: 31 12.986 1.837 0.574 0.387 0.833 0.500 CB 1.110 31 residues pruned to eliminate duplicates Z: 43 27.393 1.952 0.720 0.577 0.929 0.667 CB 1.259 41 residues pruned to eliminate duplicates Z: 6 4.526 1.699 0.471 0.454 0.800 0.800 CB 1.061 Z: 6 4.438 1.498 0.933 0.314 0.800 0.200 CA 1.053 6 residues pruned to eliminate duplicates Z: 42 26.905 1.964 0.744 0.557 0.902 0.585 CB 1.287 48 residues pruned to eliminate duplicates Z: 59 30.841 1.995 0.599 0.532 0.931 0.586 CB 1.322 59 residues pruned to eliminate duplicates Z: 48 26.637 1.907 0.611 0.544 0.936 0.574 CB 1.294 48 residues pruned to eliminate duplicates Z: 47 26.443 1.937 0.584 0.562 0.935 0.652 CB 1.280 47 residues pruned to eliminate duplicates Z: 49 29.406 1.953 0.663 0.566 0.938 0.667 CB 1.308 50 residues pruned to eliminate duplicates Z: 17 19.654 1.891 0.697 0.712 1.000 0.688 CA 1.263 17 residues pruned to eliminate duplicates Z: 48 29.055 1.932 0.719 0.608 0.936 0.766 CB 1.230 47 residues pruned to eliminate duplicates Z: 15 20.202 1.716 0.894 0.863 1.000 0.786 CA 1.219 15 residues pruned to eliminate duplicates Z: 44 25.902 1.940 0.716 0.527 0.884 0.605 CB 1.307 44 residues pruned to eliminate duplicates Z: 84 39.894 1.966 0.808 0.599 0.952 0.590 CB 1.178 84 residues pruned to eliminate duplicates Z: 102 44.144 1.958 0.733 0.603 0.950 0.584 CB 1.235 102 residues pruned to eliminate duplicates Z: 45 30.954 1.969 0.746 0.565 0.955 0.568 CB 1.334 45 residues pruned to eliminate duplicates Z: 81 40.502 2.000 0.727 0.601 0.925 0.562 CB 1.288 81 residues pruned to eliminate duplicates Z: 41 29.772 1.953 0.821 0.539 0.975 0.525 CB 1.306 41 residues pruned to eliminate duplicates Z: 50 27.120 1.924 0.720 0.556 0.878 0.633 CB 1.263 50 residues pruned to eliminate duplicates Z: 50 29.047 1.924 0.749 0.550 0.959 0.510 CB 1.224 50 residues pruned to eliminate duplicates Z: 45 29.319 1.920 0.838 0.581 0.932 0.682 CB 1.243 45 residues pruned to eliminate duplicates Z: 44 29.125 1.914 0.885 0.548 0.930 0.512 CB 1.262 44 residues pruned to eliminate duplicates Z: 47 27.908 1.922 0.778 0.555 0.913 0.457 CB 1.251 47 residues pruned to eliminate duplicates Z: 49 30.021 1.950 0.763 0.576 0.917 0.625 CB 1.278 49 residues pruned to eliminate duplicates Z: 42 30.919 1.988 0.809 0.575 0.927 0.683 CB 1.347 42 residues pruned to eliminate duplicates Z: 41 27.920 1.989 0.724 0.565 0.900 0.650 CB 1.343 41 residues pruned to eliminate duplicates Z: 48 29.962 1.903 0.780 0.583 0.915 0.511 CB 1.302 48 residues pruned to eliminate duplicates Z: 85 42.082 1.975 0.684 0.612 0.976 0.595 CB 1.272 85 residues pruned to eliminate duplicates Z: 45 32.867 1.953 0.822 0.591 0.955 0.727 CB 1.338 45 residues pruned to eliminate duplicates Z: 50 28.154 1.870 0.737 0.568 0.918 0.490 CB 1.263 50 residues pruned to eliminate duplicates Z: 81 35.946 1.946 0.718 0.560 0.900 0.512 CB 1.260 81 residues pruned to eliminate duplicates Z: 53 27.246 1.920 0.781 0.572 0.865 0.519 CB 1.191 53 residues pruned to eliminate duplicates Z: 55 27.947 1.903 0.701 0.551 0.926 0.481 CB 1.207 55 residues pruned to eliminate duplicates Z: 43 29.932 1.910 0.822 0.608 0.952 0.548 CB 1.257 43 residues pruned to eliminate duplicates Z: 50 26.461 1.912 0.724 0.567 0.918 0.694 CB 1.170 50 residues pruned to eliminate duplicates Z: 17 15.572 1.917 0.897 0.453 0.938 0.500 CA 1.199 17 residues pruned to eliminate duplicates Z: 14 15.726 1.806 0.903 0.540 0.923 0.692 CA 1.322 14 residues pruned to eliminate duplicates Z: 26 27.566 2.028 0.668 0.756 0.960 0.720 CA 1.352 26 residues pruned to eliminate duplicates Z: 29 27.773 1.964 0.616 0.691 1.000 0.786 CB 1.389 29 residues pruned to eliminate duplicates Z: 33 28.879 1.937 0.675 0.679 0.938 0.688 CB 1.424 33 residues pruned to eliminate duplicates Z: 13 15.275 2.041 0.786 0.561 0.917 0.667 CA 1.244 13 residues pruned to eliminate duplicates Z: 20 29.877 2.103 0.793 0.764 1.000 0.789 CA 1.438 20 residues pruned to eliminate duplicates Z: 30 26.879 1.991 0.660 0.672 0.931 0.586 CA 1.384 29 residues pruned to eliminate duplicates Z: 23 27.830 1.961 0.808 0.845 1.000 0.682 CA 1.244 23 residues pruned to eliminate duplicates Z: 26 34.733 2.011 0.904 0.767 0.960 0.680 CA 1.492 26 residues pruned to eliminate duplicates Z: 38 30.281 1.979 0.822 0.670 0.946 0.568 CB 1.247 38 residues pruned to eliminate duplicates Z: 31 25.329 1.995 0.694 0.623 0.933 0.600 CA 1.306 31 residues pruned to eliminate duplicates Z: 31 27.807 1.967 0.851 0.639 0.900 0.567 CB 1.361 31 residues pruned to eliminate duplicates Z: 27 33.606 1.994 1.020 0.721 0.962 0.538 CA 1.394 27 residues pruned to eliminate duplicates Z: 41 31.089 1.954 0.882 0.636 0.900 0.625 CB 1.307 41 residues pruned to eliminate duplicates Z: 26 30.646 2.040 0.890 0.728 0.880 0.680 CB 1.471 26 residues pruned to eliminate duplicates Z: 27 30.935 1.988 0.995 0.730 0.923 0.577 CB 1.347 27 residues pruned to eliminate duplicates Z: 27 33.430 2.030 0.844 0.745 0.962 0.692 CB 1.463 27 residues pruned to eliminate duplicates Z: 23 31.941 2.055 0.961 0.728 0.955 0.727 CB 1.441 23 residues pruned to eliminate duplicates Z: 30 39.281 2.035 1.007 0.686 0.966 0.483 CB 1.560 30 residues pruned to eliminate duplicates Z: 75 46.835 2.025 0.882 0.599 0.905 0.554 CB 1.436 75 residues pruned to eliminate duplicates Z: 6 6.736 1.598 1.103 0.371 1.000 0.400 CA 1.029 6 residues pruned to eliminate duplicates Z: 31 34.720 2.050 1.027 0.654 0.900 0.533 CB 1.469 31 residues pruned to eliminate duplicates Z: 6 7.503 2.035 0.204 0.522 1.000 0.800 CA 1.339 6 residues pruned to eliminate duplicates Z: 38 29.359 1.943 0.888 0.598 0.973 0.486 CB 1.233 38 residues pruned to eliminate duplicates Z: 30 32.376 2.019 0.985 0.631 0.931 0.483 CB 1.425 31 residues pruned to eliminate duplicates Z: 8 6.009 1.564 0.490 0.489 1.000 0.429 CB 0.985 8 residues pruned to eliminate duplicates Z: 50 29.041 1.972 0.644 0.523 0.898 0.673 CB 1.393 50 residues pruned to eliminate duplicates Z: 46 29.342 1.992 0.653 0.543 0.911 0.689 CA 1.397 46 residues pruned to eliminate duplicates Z: 75 46.691 2.038 0.828 0.562 0.959 0.595 CB 1.430 75 residues pruned to eliminate duplicates Z: 44 27.396 2.029 0.692 0.521 0.860 0.581 CA 1.385 44 residues pruned to eliminate duplicates Z: 74 42.884 2.023 0.778 0.562 0.945 0.575 CB 1.390 74 residues pruned to eliminate duplicates Z: 52 32.369 1.991 0.720 0.519 0.941 0.667 CA 1.380 52 residues pruned to eliminate duplicates Z: 73 45.358 2.025 0.891 0.573 0.903 0.583 CB 1.441 73 residues pruned to eliminate duplicates Z: 50 29.539 1.982 0.667 0.480 0.939 0.571 CB 1.389 50 residues pruned to eliminate duplicates Z: 43 33.361 2.056 0.801 0.549 0.929 0.548 CA 1.427 43 residues pruned to eliminate duplicates Z: 47 30.984 2.034 0.736 0.531 0.891 0.652 CA 1.407 47 residues pruned to eliminate duplicates Z: 38 30.442 1.999 0.807 0.552 0.892 0.595 CA 1.477 38 residues pruned to eliminate duplicates Z: 26 15.382 1.888 0.637 0.394 0.920 0.680 CB 1.211 26 residues pruned to eliminate duplicates Z: 64 34.337 1.968 0.698 0.531 0.921 0.651 CB 1.363 64 residues pruned to eliminate duplicates Z: 75 43.103 2.008 0.760 0.559 0.919 0.622 CB 1.456 75 residues pruned to eliminate duplicates Z: 37 34.128 2.078 0.827 0.567 0.944 0.611 CA 1.486 37 residues pruned to eliminate duplicates Z: 48 31.432 1.978 0.725 0.545 0.936 0.660 CA 1.374 48 residues pruned to eliminate duplicates Z: 46 27.809 2.015 0.680 0.514 0.889 0.689 CA 1.358 46 residues pruned to eliminate duplicates Z: 43 32.964 2.024 0.822 0.553 0.929 0.643 CA 1.411 43 residues pruned to eliminate duplicates Z: 52 29.937 1.920 0.679 0.536 0.961 0.667 CA 1.307 52 residues pruned to eliminate duplicates Z: 43 29.680 2.047 0.726 0.528 0.905 0.571 CA 1.393 43 residues pruned to eliminate duplicates Z: 74 45.705 2.035 0.820 0.576 0.904 0.616 CB 1.484 74 residues pruned to eliminate duplicates Z: 42 28.782 2.037 0.680 0.539 0.927 0.634 CA 1.364 42 residues pruned to eliminate duplicates Z: 44 26.746 2.027 0.657 0.501 0.907 0.674 CA 1.338 44 residues pruned to eliminate duplicates Z: 46 29.590 2.005 0.749 0.526 0.911 0.556 CA 1.345 46 residues pruned to eliminate duplicates Z: 42 32.116 2.059 0.756 0.550 0.951 0.659 CA 1.388 42 residues pruned to eliminate duplicates Z: 46 32.037 2.007 0.810 0.551 0.956 0.711 CA 1.310 46 residues pruned to eliminate duplicates Z: 44 31.238 2.041 0.753 0.558 0.907 0.674 CA 1.388 44 residues pruned to eliminate duplicates Z: 39 29.278 2.035 0.806 0.544 0.921 0.605 CA 1.344 39 residues pruned to eliminate duplicates Z: 37 30.159 2.055 0.823 0.569 0.889 0.667 CA 1.412 37 residues pruned to eliminate duplicates Z: 44 29.437 1.998 0.754 0.530 0.930 0.721 CA 1.337 44 residues pruned to eliminate duplicates Z: 43 31.196 2.062 0.723 0.549 0.929 0.619 CA 1.392 43 residues pruned to eliminate duplicates Z: 75 48.488 2.017 0.958 0.561 0.973 0.527 CB 1.382 75 residues pruned to eliminate duplicates Z: 46 31.837 1.989 0.838 0.506 0.956 0.622 CB 1.350 46 residues pruned to eliminate duplicates Z: 25 36.140 2.109 1.163 0.627 0.958 0.583 CB 1.498 25 residues pruned to eliminate duplicates Z: 45 33.763 2.018 0.874 0.520 0.932 0.705 CA 1.416 45 residues pruned to eliminate duplicates Z: 47 24.895 1.986 0.622 0.487 0.870 0.609 CA 1.328 47 residues pruned to eliminate duplicates Z: 47 25.414 1.940 0.725 0.473 0.891 0.630 CB 1.291 47 residues pruned to eliminate duplicates Z: 43 28.823 2.019 0.727 0.529 0.905 0.619 CA 1.370 43 residues pruned to eliminate duplicates Z: 42 21.815 1.903 0.630 0.450 0.854 0.561 CB 1.354 42 residues pruned to eliminate duplicates Z: 17 12.906 1.789 0.409 0.535 0.875 0.625 CB 1.414 15 residues pruned to eliminate duplicates Z: 14 13.452 1.820 0.246 0.736 1.000 0.769 CB 1.331 14 residues pruned to eliminate duplicates Z: 19 11.366 1.718 0.316 0.568 0.944 0.722 CB 1.175 19 residues pruned to eliminate duplicates Z: 16 12.350 1.776 0.159 0.705 0.933 0.667 CB 1.378 16 residues pruned to eliminate duplicates Z: 16 9.406 1.723 0.209 0.703 0.933 0.600 CB 1.039 16 residues pruned to eliminate duplicates Z: 18 11.217 1.688 0.296 0.573 0.882 0.588 CB 1.313 18 residues pruned to eliminate duplicates Z: 15 14.509 1.770 0.456 0.711 1.000 0.857 CB 1.242 16 residues pruned to eliminate duplicates Z: 12 12.598 1.599 0.290 0.843 1.000 0.636 N 1.371 12 residues pruned to eliminate duplicates Z: 14 12.831 1.793 0.374 0.757 0.923 0.692 CB 1.245 14 residues pruned to eliminate duplicates Z: 18 10.088 1.736 0.385 0.610 0.941 0.588 CB 0.975 18 residues pruned to eliminate duplicates Z: 17 13.491 1.769 0.514 0.642 0.938 0.562 CB 1.177 17 residues pruned to eliminate duplicates Z: 16 14.957 1.695 0.438 0.777 0.933 0.733 CB 1.330 16 residues pruned to eliminate duplicates Z: 8 14.092 1.983 0.889 0.588 1.000 0.429 CB 1.307 8 residues pruned to eliminate duplicates Z: 43 28.451 1.975 0.712 0.489 0.905 0.548 CB 1.450 43 residues pruned to eliminate duplicates Z: 14 8.593 1.924 0.791 0.304 0.769 0.154 CB 1.118 14 residues pruned to eliminate duplicates Z: 19 17.005 1.911 0.855 0.388 0.944 0.500 CB 1.349 19 residues pruned to eliminate duplicates Z: 19 17.376 1.938 0.803 0.403 0.944 0.389 CB 1.374 19 residues pruned to eliminate duplicates Z: 41 28.638 1.971 0.799 0.519 0.900 0.575 CB 1.393 41 residues pruned to eliminate duplicates Z: 41 30.474 1.971 0.845 0.522 0.875 0.675 CB 1.482 41 residues pruned to eliminate duplicates Z: 44 30.383 1.995 0.770 0.484 0.907 0.581 CB 1.470 44 residues pruned to eliminate duplicates Z: 41 30.149 2.008 0.705 0.523 0.925 0.600 CB 1.473 41 residues pruned to eliminate duplicates Z: 23 15.232 1.839 0.847 0.330 0.909 0.409 CB 1.267 23 residues pruned to eliminate duplicates Z: 21 14.424 1.870 0.775 0.352 0.800 0.450 CB 1.426 21 residues pruned to eliminate duplicates Z: 19 16.852 1.948 0.838 0.334 0.944 0.500 CB 1.407 19 residues pruned to eliminate duplicates Z: 21 18.302 1.840 0.950 0.371 0.950 0.400 CB 1.378 21 residues pruned to eliminate duplicates Z: 41 34.655 2.018 0.845 0.528 0.975 0.525 CB 1.468 41 residues pruned to eliminate duplicates Z: 16 21.184 1.985 0.827 0.611 0.933 0.667 CB 1.455 16 residues pruned to eliminate duplicates Z: 44 26.945 1.941 0.709 0.484 0.930 0.488 CB 1.353 44 residues pruned to eliminate duplicates Z: 13 18.741 1.909 1.005 0.797 0.833 0.833 CA 1.308 13 residues pruned to eliminate duplicates Z: 41 29.894 1.987 0.802 0.497 0.975 0.400 CB 1.358 41 residues pruned to eliminate duplicates Z: 13 21.895 1.850 1.001 0.867 1.000 0.333 CB 1.249 13 residues pruned to eliminate duplicates Z: 40 32.126 2.026 0.765 0.540 0.949 0.513 CB 1.458 40 residues pruned to eliminate duplicates Z: 41 28.604 1.991 0.833 0.494 0.875 0.450 CB 1.425 41 residues pruned to eliminate duplicates Z: 43 31.825 1.963 0.967 0.503 0.929 0.452 CB 1.366 43 residues pruned to eliminate duplicates Z: 28 29.973 2.000 0.857 0.590 1.000 0.630 CB 1.424 28 residues pruned to eliminate duplicates Z: 41 29.919 1.997 0.894 0.482 0.900 0.475 CB 1.415 41 residues pruned to eliminate duplicates Z: 42 34.504 2.021 0.958 0.512 0.902 0.512 CB 1.490 42 residues pruned to eliminate duplicates Z: 14 27.849 2.005 1.086 0.780 1.000 0.385 CB 1.443 14 residues pruned to eliminate duplicates Z: 41 31.768 2.008 0.882 0.506 0.925 0.425 CB 1.428 41 residues pruned to eliminate duplicates Z: 40 34.386 2.029 0.893 0.526 0.923 0.385 CB 1.514 40 residues pruned to eliminate duplicates Z: 13 10.156 1.958 0.333 0.515 0.833 0.583 CA 1.329 13 residues pruned to eliminate duplicates Z: 6 5.141 1.972 0.311 0.287 0.800 0.600 CA 1.414 6 residues pruned to eliminate duplicates Z: 40 32.599 1.999 0.928 0.523 0.923 0.436 CB 1.434 40 residues pruned to eliminate duplicates Z: 40 31.782 2.009 0.879 0.518 0.949 0.538 CB 1.396 40 residues pruned to eliminate duplicates Z: 41 36.041 2.033 0.940 0.527 0.950 0.525 CB 1.481 41 residues pruned to eliminate duplicates Z: 7 3.519 1.291 0.370 0.444 1.000 0.333 CA 0.860 Z: 25 24.164 1.883 0.629 0.788 1.000 0.833 CA 1.248 25 residues pruned to eliminate duplicates Z: 27 25.531 1.972 0.486 0.758 0.962 0.808 CB 1.413 31 residues pruned to eliminate duplicates Z: 23 20.986 1.970 0.289 0.867 1.000 0.864 CA 1.289 23 residues pruned to eliminate duplicates Z: 33 20.601 1.848 0.467 0.679 0.938 0.781 CB 1.216 30 residues pruned to eliminate duplicates Z: 23 26.648 1.979 0.472 0.879 1.000 0.682 CA 1.414 23 residues pruned to eliminate duplicates Z: 27 24.146 1.958 0.422 0.762 1.000 0.885 CA 1.347 27 residues pruned to eliminate duplicates Z: 29 23.232 1.910 0.553 0.728 0.929 0.750 CA 1.298 29 residues pruned to eliminate duplicates Z: 29 26.393 1.926 0.603 0.733 0.964 0.750 CB 1.358 29 residues pruned to eliminate duplicates Z: 30 27.055 1.897 0.761 0.725 0.931 0.759 CB 1.319 30 residues pruned to eliminate duplicates Z: 28 26.207 1.931 0.549 0.734 1.000 0.741 CB 1.367 28 residues pruned to eliminate duplicates Z: 30 25.186 1.898 0.577 0.700 1.000 0.655 CB 1.302 30 residues pruned to eliminate duplicates Z: 31 24.948 1.910 0.590 0.690 0.967 0.700 CB 1.303 31 residues pruned to eliminate duplicates Z: 27 29.315 1.962 0.686 0.783 1.000 0.769 CB 1.355 27 residues pruned to eliminate duplicates Z: 28 27.380 1.951 0.752 0.759 0.963 0.815 CB 1.272 28 residues pruned to eliminate duplicates Z: 28 29.902 1.946 0.788 0.774 1.000 0.667 CB 1.298 28 residues pruned to eliminate duplicates Z: 22 28.971 2.000 0.707 0.877 0.952 0.667 CB 1.412 22 residues pruned to eliminate duplicates Z: 40 24.974 1.839 0.661 0.697 0.923 0.692 CB 1.185 42 residues pruned to eliminate duplicates Z: 23 31.986 2.000 0.790 0.862 1.000 0.591 CB 1.398 23 residues pruned to eliminate duplicates Z: 23 30.016 2.004 0.731 0.851 0.955 0.591 CB 1.430 23 residues pruned to eliminate duplicates Z: 28 29.574 1.956 0.840 0.751 1.000 0.667 CB 1.264 28 residues pruned to eliminate duplicates Z: 23 31.580 2.013 0.661 0.876 1.000 0.818 CB 1.464 23 residues pruned to eliminate duplicates Z: 28 29.106 1.973 0.690 0.768 0.963 0.815 CB 1.376 28 residues pruned to eliminate duplicates Z: 28 28.654 1.957 0.652 0.760 1.000 0.704 CB 1.354 28 residues pruned to eliminate duplicates Z: 42 34.917 2.080 0.822 0.553 0.902 0.610 CB 1.513 42 residues pruned to eliminate duplicates Z: 18 19.849 2.095 0.786 0.452 0.941 0.294 CB 1.435 18 residues pruned to eliminate duplicates Z: 41 35.068 2.126 0.700 0.536 0.950 0.675 CA 1.559 41 residues pruned to eliminate duplicates Z: 11 13.280 1.753 0.918 0.615 0.900 0.300 CB 1.244 11 residues pruned to eliminate duplicates Z: 21 21.667 2.024 0.780 0.439 0.900 0.450 CB 1.592 21 residues pruned to eliminate duplicates Z: 18 22.689 2.087 0.681 0.487 1.000 0.353 CB 1.589 18 residues pruned to eliminate duplicates Z: 23 16.110 1.982 0.823 0.357 0.773 0.455 CB 1.436 23 residues pruned to eliminate duplicates Z: 42 36.877 2.099 0.841 0.537 0.927 0.585 CB 1.550 42 residues pruned to eliminate duplicates Z: 41 39.548 2.130 0.888 0.537 0.950 0.650 CB 1.579 41 residues pruned to eliminate duplicates Z: 42 35.460 2.110 0.892 0.551 0.878 0.634 CB 1.503 42 residues pruned to eliminate duplicates Z: 38 37.936 2.151 0.884 0.533 0.973 0.595 CB 1.531 38 residues pruned to eliminate duplicates Z: 42 36.235 2.101 0.820 0.520 0.951 0.707 CB 1.526 42 residues pruned to eliminate duplicates Z: 22 16.886 2.073 0.820 0.369 0.857 0.476 CB 1.311 22 residues pruned to eliminate duplicates Z: 42 33.805 2.106 0.799 0.490 0.927 0.585 CB 1.518 42 residues pruned to eliminate duplicates Z: 31 24.052 2.038 0.740 0.489 0.867 0.533 CB 1.444 31 residues pruned to eliminate duplicates Z: 42 32.975 2.071 0.791 0.511 0.927 0.512 CB 1.482 42 residues pruned to eliminate duplicates Z: 43 35.484 2.120 0.906 0.501 0.905 0.500 CB 1.496 43 residues pruned to eliminate duplicates Z: 29 20.302 1.974 0.622 0.465 0.857 0.464 CB 1.449 29 residues pruned to eliminate duplicates Z: 20 19.773 2.047 0.767 0.446 0.895 0.789 CA 1.481 20 residues pruned to eliminate duplicates Z: 43 30.041 2.088 0.787 0.490 0.857 0.500 CB 1.464 43 residues pruned to eliminate duplicates Z: 41 41.391 2.133 0.933 0.542 0.975 0.600 CB 1.562 41 residues pruned to eliminate duplicates Z: 13 24.179 1.987 1.067 0.826 0.917 0.750 CA 1.398 13 residues pruned to eliminate duplicates Z: 43 35.680 2.078 0.908 0.447 0.929 0.452 CB 1.579 43 residues pruned to eliminate duplicates Z: 42 34.139 2.082 0.860 0.510 0.927 0.537 CB 1.470 42 residues pruned to eliminate duplicates Z: 43 32.269 2.086 0.793 0.468 0.881 0.571 CB 1.561 43 residues pruned to eliminate duplicates Z: 42 32.146 2.128 0.780 0.486 0.902 0.610 CB 1.490 42 residues pruned to eliminate duplicates Z: 42 37.047 2.103 0.969 0.523 0.902 0.659 CB 1.513 42 residues pruned to eliminate duplicates Z: 41 38.890 2.147 0.933 0.537 0.900 0.625 CB 1.587 41 residues pruned to eliminate duplicates Z: 41 36.090 2.121 0.832 0.511 0.900 0.625 CB 1.614 41 residues pruned to eliminate duplicates Z: 43 32.639 2.102 0.802 0.489 0.905 0.524 CB 1.486 43 residues pruned to eliminate duplicates Z: 41 42.611 2.148 0.887 0.555 1.000 0.575 CB 1.576 41 residues pruned to eliminate duplicates Z: 6 5.372 1.442 0.814 0.494 1.000 0.400 CA 0.924 6 residues pruned to eliminate duplicates Z: 41 38.114 2.125 0.907 0.528 0.950 0.550 CB 1.522 41 residues pruned to eliminate duplicates Z: 43 36.822 2.109 0.946 0.500 0.905 0.548 CB 1.529 43 residues pruned to eliminate duplicates Z: 29 34.702 2.109 0.941 0.567 0.964 0.750 CB 1.557 29 residues pruned to eliminate duplicates Z: 27 29.208 2.043 0.884 0.563 0.923 0.462 CB 1.517 27 residues pruned to eliminate duplicates 6 1.769 1.314 0.331 0.289 0.800 0.600 CA 0.717 ? Z: 7 6.279 1.410 0.541 0.613 1.000 0.833 CB 1.060 7 residues pruned to eliminate duplicates Z: 43 33.542 2.104 0.863 0.505 0.905 0.476 CB 1.452 43 residues pruned to eliminate duplicates Z: 41 37.947 2.117 0.931 0.507 0.925 0.500 CB 1.576 41 residues pruned to eliminate duplicates Z: 13 13.203 1.937 0.683 0.434 0.917 0.667 CA 1.365 Z: 6 5.642 1.466 1.148 0.408 1.000 0.800 C 0.883 6 residues pruned to eliminate duplicates Z: 27 16.696 1.954 0.376 0.598 0.923 0.692 CB 1.202 13 residues pruned to eliminate duplicates Z: 12 7.587 1.595 0.249 0.654 0.909 0.545 CB 1.094 Z: 11 8.993 1.672 0.475 0.804 0.900 0.700 CB 0.983 8 residues pruned to eliminate duplicates Z: 9 6.821 1.587 0.257 0.826 0.875 0.625 CB 1.041 9 residues pruned to eliminate duplicates Z: 17 11.434 1.739 0.546 0.489 0.875 0.500 CA 1.228 15 residues pruned to eliminate duplicates Z: 11 10.390 1.672 0.799 0.884 0.800 0.600 CB 0.986 14 residues pruned to eliminate duplicates Z: 11 12.511 1.719 0.667 0.867 0.900 0.400 CB 1.122 11 residues pruned to eliminate duplicates Z: 43 30.220 1.915 0.705 0.627 0.905 0.667 CA 1.401 41 residues pruned to eliminate duplicates Z: 12 16.576 1.719 0.775 0.884 1.000 0.727 CA 1.183 12 residues pruned to eliminate duplicates Z: 14 14.694 1.826 0.562 0.745 0.923 0.846 CB 1.243 14 residues pruned to eliminate duplicates Z: 28 12.992 1.735 0.424 0.500 0.926 0.593 CB 1.093 28 residues pruned to eliminate duplicates Z: 18 12.177 1.746 0.616 0.586 0.941 0.588 CB 1.025 18 residues pruned to eliminate duplicates Z: 20 14.868 1.801 0.684 0.560 0.947 0.526 CB 1.120 20 residues pruned to eliminate duplicates Z: 24 13.834 1.676 0.668 0.479 0.913 0.435 CB 1.155 24 residues pruned to eliminate duplicates Z: 35 20.189 1.844 0.602 0.509 0.941 0.588 CB 1.234 35 residues pruned to eliminate duplicates Z: 25 30.931 2.073 0.610 0.845 1.000 0.833 CA 1.407 25 residues pruned to eliminate duplicates Z: 27 33.205 2.084 0.828 0.734 0.962 0.808 CA 1.441 27 residues pruned to eliminate duplicates Z: 29 27.450 2.037 0.608 0.689 0.929 0.786 CA 1.435 29 residues pruned to eliminate duplicates Z: 33 26.698 2.032 0.542 0.718 0.969 0.844 CA 1.276 34 residues pruned to eliminate duplicates Z: 23 33.731 2.091 0.871 0.879 1.000 0.818 CA 1.333 23 residues pruned to eliminate duplicates Z: 40 25.253 2.022 0.626 0.607 0.872 0.590 CB 1.274 40 residues pruned to eliminate duplicates Z: 24 32.857 2.118 0.847 0.816 0.957 0.826 CA 1.392 24 residues pruned to eliminate duplicates Z: 25 31.694 2.103 0.730 0.787 0.958 0.750 CA 1.442 25 residues pruned to eliminate duplicates Z: 80 38.407 2.028 0.577 0.619 0.899 0.658 CB 1.343 80 residues pruned to eliminate duplicates Z: 27 33.285 2.059 0.827 0.748 0.962 0.808 CA 1.447 27 residues pruned to eliminate duplicates Z: 24 36.032 1.983 0.989 0.872 1.000 0.870 CA 1.389 24 residues pruned to eliminate duplicates Z: 26 33.452 2.047 0.932 0.774 0.920 0.760 CA 1.443 26 residues pruned to eliminate duplicates Z: 25 34.531 2.096 0.922 0.815 0.958 0.792 CA 1.388 25 residues pruned to eliminate duplicates Z: 26 34.621 2.108 0.931 0.790 0.920 0.720 CA 1.434 26 residues pruned to eliminate duplicates Z: 26 35.186 2.090 0.915 0.783 0.960 0.680 CB 1.427 26 residues pruned to eliminate duplicates Z: 26 34.032 2.087 0.953 0.779 0.920 0.720 CA 1.419 26 residues pruned to eliminate duplicates Z: 25 31.925 2.084 0.867 0.781 0.958 0.708 CA 1.365 25 residues pruned to eliminate duplicates Z: 22 33.461 2.097 0.881 0.872 1.000 0.571 CA 1.349 22 residues pruned to eliminate duplicates Z: 37 31.422 2.058 0.741 0.671 1.000 0.722 CB 1.248 36 residues pruned to eliminate duplicates Z: 24 31.674 2.051 0.892 0.863 1.000 0.652 CA 1.249 24 residues pruned to eliminate duplicates Z: 26 31.155 2.092 0.906 0.762 0.920 0.720 CA 1.346 26 residues pruned to eliminate duplicates Z: 38 31.060 2.035 0.789 0.724 0.919 0.676 CB 1.247 38 residues pruned to eliminate duplicates Z: 80 42.968 2.015 0.705 0.639 0.937 0.557 CB 1.318 80 residues pruned to eliminate duplicates Z: 31 37.189 2.069 0.934 0.765 1.000 0.667 CA 1.342 32 residues pruned to eliminate duplicates Z: 26 36.397 1.932 1.225 0.784 0.960 0.480 CB 1.373 26 residues pruned to eliminate duplicates Z: 7 10.746 2.015 0.624 0.531 0.833 0.667 CB 1.560 7 residues pruned to eliminate duplicates Z: 15 10.349 1.977 0.451 0.497 0.857 0.429 CB 1.129 15 residues pruned to eliminate duplicates Z: 14 15.914 1.990 0.601 0.604 1.000 0.615 CB 1.256 14 residues pruned to eliminate duplicates Z: 54 31.069 1.998 0.599 0.552 0.906 0.585 CB 1.402 54 residues pruned to eliminate duplicates Z: 13 8.516 1.969 0.455 0.547 0.833 0.417 CB 0.983 13 residues pruned to eliminate duplicates Z: 17 10.208 1.997 0.428 0.514 0.875 0.375 CB 1.009 17 residues pruned to eliminate duplicates Z: 17 10.142 1.899 0.627 0.424 0.875 0.500 CB 1.015 17 residues pruned to eliminate duplicates Z: 12 9.383 1.997 0.717 0.510 0.818 0.636 CB 0.998 12 residues pruned to eliminate duplicates Z: 48 29.170 2.008 0.558 0.552 0.936 0.617 CB 1.381 48 residues pruned to eliminate duplicates Z: 46 29.364 2.029 0.560 0.555 0.933 0.600 CB 1.405 46 residues pruned to eliminate duplicates Z: 51 30.649 1.984 0.673 0.553 0.940 0.660 CB 1.320 51 residues pruned to eliminate duplicates Z: 44 27.331 1.999 0.524 0.538 0.953 0.628 CB 1.382 44 residues pruned to eliminate duplicates Z: 46 25.173 1.972 0.559 0.548 0.889 0.622 CB 1.311 46 residues pruned to eliminate duplicates Z: 55 30.528 1.974 0.592 0.516 0.944 0.611 CB 1.378 55 residues pruned to eliminate duplicates Z: 47 30.250 1.992 0.564 0.569 0.935 0.674 CB 1.433 47 residues pruned to eliminate duplicates Z: 46 23.826 1.950 0.528 0.541 0.844 0.578 CA 1.356 46 residues pruned to eliminate duplicates Z: 48 27.845 1.986 0.579 0.553 0.894 0.596 CB 1.376 48 residues pruned to eliminate duplicates Z: 41 29.727 2.014 0.652 0.562 0.925 0.675 CB 1.437 41 residues pruned to eliminate duplicates Z: 47 28.896 1.920 0.648 0.553 0.913 0.609 CB 1.402 47 residues pruned to eliminate duplicates Z: 47 32.691 2.013 0.613 0.596 0.935 0.652 CB 1.449 47 residues pruned to eliminate duplicates Z: 47 28.294 2.024 0.543 0.536 0.913 0.587 CB 1.411 47 residues pruned to eliminate duplicates Z: 48 27.425 2.022 0.624 0.529 0.894 0.617 CB 1.325 48 residues pruned to eliminate duplicates Z: 40 28.611 2.001 0.504 0.570 0.974 0.692 CB 1.460 40 residues pruned to eliminate duplicates Z: 41 30.953 2.024 0.654 0.597 0.925 0.625 CB 1.441 41 residues pruned to eliminate duplicates Z: 40 29.209 2.037 0.534 0.551 0.949 0.615 CB 1.502 40 residues pruned to eliminate duplicates Z: 44 28.012 1.998 0.625 0.546 0.884 0.651 CB 1.423 44 residues pruned to eliminate duplicates Z: 47 29.346 1.997 0.548 0.543 0.957 0.587 CB 1.404 47 residues pruned to eliminate duplicates Z: 39 24.564 1.988 0.568 0.526 0.921 0.579 CA 1.352 39 residues pruned to eliminate duplicates Z: 48 31.783 2.023 0.705 0.553 0.936 0.617 CB 1.364 48 residues pruned to eliminate duplicates Z: 40 32.281 2.046 0.654 0.593 0.949 0.641 CB 1.473 40 residues pruned to eliminate duplicates Z: 48 32.328 2.007 0.638 0.587 0.957 0.638 CB 1.378 48 residues pruned to eliminate duplicates Z: 43 27.268 2.008 0.617 0.525 0.905 0.595 CB 1.398 43 residues pruned to eliminate duplicates Z: 48 27.987 1.983 0.612 0.571 0.915 0.702 CB 1.303 48 residues pruned to eliminate duplicates Z: 50 26.117 1.935 0.563 0.553 0.898 0.714 CB 1.305 50 residues pruned to eliminate duplicates Z: 39 30.447 2.042 0.633 0.587 0.921 0.737 CB 1.479 39 residues pruned to eliminate duplicates Z: 39 32.969 2.047 0.738 0.593 0.947 0.684 CB 1.452 39 residues pruned to eliminate duplicates Z: 81 42.209 1.993 0.792 0.613 0.900 0.675 CB 1.320 80 residues pruned to eliminate duplicates Z: 9 12.945 1.765 1.042 0.779 1.000 0.750 CA 0.993 9 residues pruned to eliminate duplicates Z: 24 22.631 1.995 0.551 0.721 0.913 0.739 CB 1.369 24 residues pruned to eliminate duplicates Z: 50 32.425 1.997 0.705 0.572 0.939 0.653 CB 1.351 50 residues pruned to eliminate duplicates Z: 47 30.673 1.965 0.716 0.577 0.935 0.478 CB 1.332 47 residues pruned to eliminate duplicates Z: 42 29.615 1.975 0.864 0.573 0.902 0.561 CB 1.297 42 residues pruned to eliminate duplicates Z: 42 31.259 1.970 0.694 0.585 0.927 0.756 CB 1.454 42 residues pruned to eliminate duplicates Z: 47 32.526 2.007 0.648 0.597 0.935 0.696 CB 1.414 47 residues pruned to eliminate duplicates Z: 47 29.991 1.991 0.696 0.521 0.957 0.696 CB 1.341 49 residues pruned to eliminate duplicates Z: 8 16.100 2.013 0.694 0.682 1.000 0.286 CA 1.510 8 residues pruned to eliminate duplicates Z: 26 16.851 1.873 0.673 0.395 0.920 0.480 CB 1.306 26 residues pruned to eliminate duplicates Z: 43 34.974 2.064 0.677 0.555 0.976 0.619 CB 1.515 43 residues pruned to eliminate duplicates Z: 42 37.907 2.108 0.761 0.575 0.951 0.683 CB 1.560 42 residues pruned to eliminate duplicates Z: 41 33.202 2.059 0.683 0.539 0.925 0.550 CB 1.575 41 residues pruned to eliminate duplicates Z: 43 37.410 2.123 0.654 0.556 1.000 0.524 CB 1.558 43 residues pruned to eliminate duplicates Z: 10 10.110 1.747 0.602 0.501 1.000 0.444 CA 1.203 10 residues pruned to eliminate duplicates Z: 19 17.994 2.046 0.612 0.477 0.944 0.444 CB 1.393 19 residues pruned to eliminate duplicates Z: 43 33.365 2.074 0.796 0.541 0.905 0.476 CB 1.467 43 residues pruned to eliminate duplicates Z: 42 32.701 2.102 0.640 0.543 0.927 0.659 CB 1.532 42 residues pruned to eliminate duplicates Z: 41 25.801 1.943 0.784 0.476 0.850 0.650 CB 1.419 41 residues pruned to eliminate duplicates Z: 42 35.142 2.110 0.771 0.549 0.927 0.610 CB 1.511 42 residues pruned to eliminate duplicates Z: 44 33.354 2.093 0.725 0.524 0.953 0.605 CB 1.443 44 residues pruned to eliminate duplicates Z: 43 33.988 2.070 0.704 0.559 0.952 0.524 CB 1.474 43 residues pruned to eliminate duplicates Z: 43 31.408 2.098 0.667 0.526 0.905 0.619 CB 1.492 43 residues pruned to eliminate duplicates Z: 44 33.185 2.079 0.704 0.534 0.977 0.488 CB 1.415 44 residues pruned to eliminate duplicates Z: 42 27.356 2.074 0.624 0.491 0.878 0.488 CB 1.457 42 residues pruned to eliminate duplicates Z: 42 35.263 2.095 0.754 0.533 0.951 0.585 CB 1.526 42 residues pruned to eliminate duplicates Z: 33 34.285 2.112 0.850 0.573 0.938 0.625 CB 1.543 33 residues pruned to eliminate duplicates Z: 29 31.242 2.082 0.894 0.547 1.000 0.679 CB 1.431 29 residues pruned to eliminate duplicates Z: 44 34.112 2.040 0.751 0.542 0.953 0.628 CB 1.465 44 residues pruned to eliminate duplicates Z: 44 34.307 2.041 0.748 0.516 1.000 0.581 CB 1.443 44 residues pruned to eliminate duplicates Z: 42 35.785 2.098 0.786 0.542 0.951 0.537 CB 1.506 42 residues pruned to eliminate duplicates Z: 43 36.546 2.101 0.788 0.558 0.976 0.524 CB 1.453 43 residues pruned to eliminate duplicates Z: 45 33.535 2.043 0.840 0.516 0.932 0.455 CB 1.421 45 residues pruned to eliminate duplicates Z: 44 30.122 2.041 0.716 0.498 0.930 0.488 CB 1.413 44 residues pruned to eliminate duplicates Z: 35 36.060 2.029 0.963 0.555 1.000 0.676 CB 1.471 35 residues pruned to eliminate duplicates Z: 41 37.851 2.141 0.886 0.565 0.925 0.650 CB 1.505 41 residues pruned to eliminate duplicates Z: 43 38.492 2.119 0.846 0.551 0.976 0.429 CB 1.480 43 residues pruned to eliminate duplicates Z: 47 37.875 2.025 0.874 0.522 0.978 0.500 CB 1.471 47 residues pruned to eliminate duplicates Z: 34 28.226 2.032 0.679 0.520 0.939 0.576 CA 1.504 34 residues pruned to eliminate duplicates Z: 41 41.038 2.151 0.892 0.558 0.975 0.525 CB 1.546 42 residues pruned to eliminate duplicates Z: 7 7.125 1.657 0.949 0.322 0.833 0.500 N 1.315 7 residues pruned to eliminate duplicates Z: 42 38.641 2.098 0.912 0.563 0.951 0.610 CB 1.489 42 residues pruned to eliminate duplicates Z: 41 36.623 2.138 0.808 0.529 0.975 0.550 CB 1.493 41 residues pruned to eliminate duplicates Z: 6 6.081 1.587 0.557 0.377 1.000 0.600 CB 1.256 6 residues pruned to eliminate duplicates Z: 46 33.049 2.035 0.787 0.519 0.933 0.533 CB 1.424 46 residues pruned to eliminate duplicates Z: 41 37.862 2.116 0.840 0.587 0.950 0.575 CB 1.489 41 residues pruned to eliminate duplicates 1187 residues left after pruning, divided into chains as follows: A: 8 B: 26 C: 7 D: 7 E: 41 F: 36 G: 75 H: 41 I: 37 J: 98 K: 40 L: 40 M: 66 N: 10 O: 125 P: 13 Q: 146 R: 120 S: 79 T: 43 U: 40 V: 43 W: 38 X: 8 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 38.90 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.512, Connect. = 0.748 for dens.mod. cycle 1 = 0.300, Contrast = 0.600, Connect. = 0.773 for dens.mod. cycle 2 = 0.300, Contrast = 0.727, Connect. = 0.794 for dens.mod. cycle 3 = 0.300, Contrast = 0.748, Connect. = 0.796 for dens.mod. cycle 4 = 0.300, Contrast = 0.765, Connect. = 0.797 for dens.mod. cycle 5 = 0.300, Contrast = 0.772, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 0.778, Connect. = 0.800 for dens.mod. cycle 7 = 0.300, Contrast = 0.781, Connect. = 0.801 for dens.mod. cycle 8 = 0.300, Contrast = 0.783, Connect. = 0.802 for dens.mod. cycle 9 = 0.300, Contrast = 0.784, Connect. = 0.802 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6090 peaks > 0.5 sigma used to seed fragment search Space for about 2008 unique residues taking solvent into account 1381 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 12.557 1.935 0.465 0.480 0.929 0.643 CB 1.302 B: 24 31.439 2.026 0.646 0.882 1.000 0.826 CA 1.422 C: 16 19.366 2.116 0.682 0.551 1.000 0.667 CB 1.337 D: 12 25.618 2.121 0.926 0.902 1.000 1.000 CA 1.349 E: 14 32.959 2.082 0.857 0.920 1.000 0.923 CA 1.664 F: 34 35.621 1.981 1.027 0.672 0.939 0.667 CA 1.403 G: 13 25.379 2.070 0.814 0.848 1.000 0.917 CB 1.447 13 residues pruned to eliminate duplicates H: 16 14.955 1.934 0.465 0.772 0.933 0.733 CA 1.148 16 residues pruned to eliminate duplicates I: 13 20.558 1.854 0.542 0.879 1.000 1.000 CA 1.506 J: 13 17.370 1.844 0.729 0.837 0.917 0.833 CB 1.283 13 residues pruned to eliminate duplicates K: 13 25.473 2.048 1.248 0.832 1.000 0.750 CA 1.199 L: 11 24.303 2.130 0.872 0.851 1.000 0.600 CA 1.426 11 residues pruned to eliminate duplicates M: 15 24.167 1.931 0.726 0.856 1.000 1.000 CA 1.429 15 residues pruned to eliminate duplicates N: 13 28.773 2.035 0.952 0.857 1.000 0.750 CA 1.541 O: 13 23.309 2.043 0.652 0.852 1.000 0.750 CA 1.474 P: 13 25.564 2.073 1.038 0.850 0.917 0.917 CA 1.412 14 residues pruned to eliminate duplicates Q: 12 25.830 2.124 0.922 0.846 1.000 0.909 CA 1.417 12 residues pruned to eliminate duplicates R: 11 19.608 1.909 0.365 0.886 1.000 0.900 CB 1.717 S: 8 7.970 1.661 0.816 0.645 0.714 0.571 CA 1.220 T: 14 17.914 1.826 0.599 0.838 1.000 0.769 CA 1.272 13 residues pruned to eliminate duplicates U: 24 30.858 1.969 0.823 0.861 0.957 0.739 CB 1.377 23 residues pruned to eliminate duplicates V: 12 26.516 2.127 1.026 0.866 1.000 0.727 CA 1.357 13 residues pruned to eliminate duplicates W: 11 20.248 2.012 0.970 0.911 1.000 0.900 CB 1.145 X: 14 22.562 1.900 1.058 0.842 0.846 0.692 CB 1.409 Y: 13 18.701 2.029 0.528 0.888 1.000 0.917 CA 1.255 14 residues pruned to eliminate duplicates Z: 11 16.627 1.925 1.172 0.822 0.900 0.800 CB 1.058 11 residues pruned to eliminate duplicates Z: 39 28.949 2.010 0.637 0.684 0.921 0.684 CB 1.309 25 residues pruned to eliminate duplicates Z: 12 24.494 1.982 1.024 0.865 1.000 0.818 CA 1.348 Z: 13 17.760 1.853 0.841 0.855 1.000 0.750 CB 1.109 Z: 12 19.649 2.024 0.423 0.872 1.000 0.909 CA 1.498 12 residues pruned to eliminate duplicates Z: 23 24.975 1.885 0.729 0.856 0.955 0.682 CB 1.262 Z: 14 20.690 1.885 0.810 0.908 0.923 0.846 CA 1.294 14 residues pruned to eliminate duplicates Z: 32 34.306 2.070 0.965 0.568 0.935 0.516 CB 1.516 12 residues pruned to eliminate duplicates Z: 15 22.130 1.916 0.828 0.872 1.000 0.857 CA 1.231 15 residues pruned to eliminate duplicates Z: 14 22.517 1.978 0.793 0.852 1.000 0.846 CA 1.302 14 residues pruned to eliminate duplicates Z: 16 12.105 1.734 0.711 0.440 0.867 0.467 CA 1.294 Z: 23 36.212 2.012 0.845 0.871 1.000 0.636 CB 1.516 37 residues pruned to eliminate duplicates Z: 13 24.032 1.951 1.197 0.875 0.917 0.917 CA 1.284 12 residues pruned to eliminate duplicates Z: 6 5.782 1.606 0.406 0.744 1.000 0.800 CA 0.920 Z: 14 24.479 2.034 1.350 0.772 0.923 0.615 CA 1.210 13 residues pruned to eliminate duplicates Z: 11 16.814 1.904 0.690 0.916 1.000 0.800 CB 1.166 Z: 13 20.265 2.089 0.462 0.870 1.000 0.833 CA 1.398 13 residues pruned to eliminate duplicates Z: 13 13.755 1.945 0.769 0.844 0.917 0.583 CB 0.937 Z: 15 19.431 1.887 0.630 0.795 0.929 0.857 CA 1.404 15 residues pruned to eliminate duplicates Z: 13 20.923 1.940 0.912 0.841 0.917 0.833 CA 1.325 12 residues pruned to eliminate duplicates Z: 14 25.674 1.931 0.991 0.840 1.000 0.769 CB 1.382 14 residues pruned to eliminate duplicates Z: 13 26.116 1.997 1.055 0.847 0.917 0.833 CB 1.488 13 residues pruned to eliminate duplicates Z: 12 23.606 2.092 0.878 0.884 0.909 0.909 CA 1.440 12 residues pruned to eliminate duplicates Z: 47 33.878 1.983 0.745 0.545 0.957 0.696 CA 1.444 Z: 14 20.038 1.821 0.666 0.857 1.000 0.846 CA 1.350 15 residues pruned to eliminate duplicates Z: 13 27.139 2.017 0.751 0.878 1.000 0.833 N 1.610 13 residues pruned to eliminate duplicates Z: 23 34.183 2.095 0.712 0.888 1.000 0.773 CA 1.464 Z: 12 27.967 1.990 1.266 0.833 1.000 0.818 CB 1.404 11 residues pruned to eliminate duplicates Z: 23 27.104 2.000 0.749 0.856 0.955 0.636 CA 1.276 Z: 7 8.830 2.121 0.290 0.719 0.833 0.833 CB 1.296 Z: 12 18.908 2.148 0.392 0.906 1.000 1.000 CA 1.356 12 residues pruned to eliminate duplicates Z: 9 15.953 1.786 1.058 0.709 0.875 0.375 CB 1.450 Z: 12 17.055 2.022 0.547 0.910 1.000 0.818 CB 1.166 Z: 13 22.832 2.039 0.876 0.832 1.000 0.833 CA 1.293 13 residues pruned to eliminate duplicates Z: 20 18.527 1.988 0.777 0.512 0.895 0.421 CB 1.329 Z: 12 26.561 2.094 0.899 0.860 1.000 0.909 CA 1.481 12 residues pruned to eliminate duplicates Z: 14 21.723 1.842 0.659 0.816 1.000 0.692 CA 1.498 13 residues pruned to eliminate duplicates Z: 15 26.505 1.814 1.261 0.869 1.000 0.643 CA 1.262 13 residues pruned to eliminate duplicates Z: 45 23.858 1.928 0.594 0.522 0.864 0.568 CB 1.325 Z: 45 32.748 2.012 0.671 0.572 0.932 0.705 CA 1.469 45 residues pruned to eliminate duplicates Z: 41 24.552 1.942 0.687 0.459 0.875 0.600 CA 1.412 13 residues pruned to eliminate duplicates Z: 19 34.055 2.040 0.996 0.924 1.000 0.889 CB 1.385 19 residues pruned to eliminate duplicates Z: 14 26.136 1.999 0.895 0.880 1.000 0.692 CA 1.387 14 residues pruned to eliminate duplicates Z: 14 21.277 1.808 1.093 0.845 0.923 0.615 CB 1.256 14 residues pruned to eliminate duplicates Z: 13 24.585 2.067 1.039 0.843 0.917 0.750 CA 1.368 13 residues pruned to eliminate duplicates Z: 13 17.593 1.822 0.517 0.897 1.000 0.917 CB 1.315 13 residues pruned to eliminate duplicates Z: 13 20.877 1.855 0.671 0.866 1.000 0.833 CA 1.423 13 residues pruned to eliminate duplicates Z: 12 21.149 2.106 0.754 0.889 1.000 1.000 CA 1.243 12 residues pruned to eliminate duplicates Z: 23 28.113 1.961 0.931 0.847 1.000 0.455 CB 1.175 23 residues pruned to eliminate duplicates Z: 23 28.234 2.081 0.466 0.868 1.000 0.864 CA 1.443 23 residues pruned to eliminate duplicates Z: 13 22.189 1.942 0.934 0.822 0.917 0.667 CB 1.407 13 residues pruned to eliminate duplicates Z: 23 24.214 1.937 0.705 0.808 0.955 0.636 CA 1.251 23 residues pruned to eliminate duplicates Z: 23 32.753 2.084 0.674 0.865 1.000 0.818 CA 1.466 23 residues pruned to eliminate duplicates Z: 23 30.651 2.086 0.570 0.869 1.000 0.864 CB 1.458 23 residues pruned to eliminate duplicates Z: 14 18.408 1.835 0.512 0.833 1.000 0.846 CB 1.380 13 residues pruned to eliminate duplicates Z: 11 21.400 2.050 0.843 0.895 0.900 0.600 CA 1.426 14 residues pruned to eliminate duplicates Z: 23 34.127 2.044 0.741 0.884 1.000 0.591 CA 1.477 23 residues pruned to eliminate duplicates Z: 24 31.092 2.005 0.648 0.871 1.000 0.783 CA 1.431 24 residues pruned to eliminate duplicates Z: 14 21.167 1.906 0.896 0.903 1.000 0.846 CB 1.158 Z: 42 16.663 1.872 0.526 0.426 0.780 0.585 CB 1.260 15 residues pruned to eliminate duplicates Z: 35 38.374 2.049 0.976 0.712 1.000 0.676 CB 1.341 35 residues pruned to eliminate duplicates Z: 8 5.156 1.727 0.582 0.467 1.000 0.286 CB 0.738 6 residues pruned to eliminate duplicates Z: 27 10.932 1.794 0.539 0.361 0.808 0.538 CB 1.116 Z: 13 13.214 1.762 0.673 0.788 0.917 0.667 CB 1.095 13 residues pruned to eliminate duplicates Z: 12 26.295 2.099 0.928 0.871 1.000 0.909 CA 1.429 12 residues pruned to eliminate duplicates Z: 23 26.965 1.951 0.527 0.829 1.000 0.636 CB 1.453 23 residues pruned to eliminate duplicates Z: 13 29.874 2.042 1.210 0.896 1.000 1.000 CA 1.369 13 residues pruned to eliminate duplicates Z: 22 34.534 2.090 0.703 0.901 1.000 0.810 CB 1.512 22 residues pruned to eliminate duplicates Z: 8 8.110 1.733 0.712 0.689 0.714 0.571 CB 1.216 8 residues pruned to eliminate duplicates Z: 13 26.481 1.973 1.179 0.893 1.000 0.917 CA 1.276 14 residues pruned to eliminate duplicates Z: 12 14.619 1.784 0.301 0.841 1.000 0.818 CA 1.417 Z: 13 14.376 1.932 0.455 0.817 0.917 0.750 CA 1.223 Z: 15 10.077 1.800 0.496 0.382 0.786 0.643 CB 1.443 16 residues pruned to eliminate duplicates Z: 11 20.907 2.137 0.853 0.923 1.000 0.900 CB 1.173 13 residues pruned to eliminate duplicates Z: 6 7.535 1.899 0.052 0.876 1.000 1.000 CB 1.226 Z: 70 38.293 1.975 0.733 0.605 0.899 0.507 CB 1.357 42 residues pruned to eliminate duplicates Z: 28 33.846 2.116 0.912 0.567 1.000 0.704 CA 1.508 21 residues pruned to eliminate duplicates Z: 58 31.426 1.958 0.666 0.604 0.895 0.596 CA 1.291 58 residues pruned to eliminate duplicates Z: 24 28.089 1.993 0.561 0.891 1.000 0.870 CA 1.353 24 residues pruned to eliminate duplicates Z: 17 23.204 2.015 0.582 0.854 0.938 0.750 CA 1.434 Z: 13 22.558 1.986 0.952 0.818 1.000 0.667 CA 1.274 13 residues pruned to eliminate duplicates Z: 9 12.180 1.881 0.783 0.895 1.000 0.500 CB 0.920 10 residues pruned to eliminate duplicates Z: 14 15.654 1.914 0.608 0.735 0.923 0.692 CA 1.237 14 residues pruned to eliminate duplicates Z: 43 17.420 1.873 0.496 0.397 0.857 0.500 CB 1.247 42 residues pruned to eliminate duplicates Z: 13 21.579 1.954 0.852 0.857 0.917 0.750 CA 1.384 13 residues pruned to eliminate duplicates Z: 41 27.082 1.913 0.672 0.592 0.950 0.700 CB 1.290 41 residues pruned to eliminate duplicates Z: 16 12.753 1.644 0.706 0.781 0.867 0.600 CB 1.057 15 residues pruned to eliminate duplicates Z: 15 16.303 1.781 0.540 0.864 1.000 0.786 CB 1.165 13 residues pruned to eliminate duplicates Z: 13 26.670 1.928 1.231 0.862 0.917 0.667 CA 1.433 13 residues pruned to eliminate duplicates Z: 21 20.943 1.923 0.419 0.873 0.950 0.900 CA 1.316 21 residues pruned to eliminate duplicates Z: 13 25.136 2.087 0.741 0.885 0.917 0.750 CA 1.574 13 residues pruned to eliminate duplicates Z: 11 16.476 1.886 0.613 0.776 0.800 0.600 CB 1.678 10 residues pruned to eliminate duplicates Z: 11 18.811 2.023 1.129 0.859 1.000 0.500 CB 1.016 12 residues pruned to eliminate duplicates Z: 28 19.074 1.906 0.492 0.579 0.852 0.667 CB 1.404 12 residues pruned to eliminate duplicates Z: 13 21.499 1.932 0.933 0.879 0.917 0.833 CB 1.314 13 residues pruned to eliminate duplicates Z: 22 30.559 2.069 0.703 0.878 0.905 0.619 CB 1.517 22 residues pruned to eliminate duplicates Z: 27 22.081 1.903 0.508 0.629 1.000 0.654 CA 1.337 26 residues pruned to eliminate duplicates Z: 15 17.386 1.903 0.655 0.804 0.929 0.714 CA 1.219 15 residues pruned to eliminate duplicates Z: 39 33.250 2.028 0.973 0.509 0.921 0.605 CB 1.451 32 residues pruned to eliminate duplicates Z: 6 4.475 1.820 0.171 0.358 0.800 0.400 CB 1.369 Z: 37 27.862 2.033 0.523 0.710 0.944 0.722 CA 1.312 37 residues pruned to eliminate duplicates Z: 37 20.149 2.005 0.538 0.516 0.889 0.556 CB 1.206 13 residues pruned to eliminate duplicates Z: 10 10.328 1.872 0.201 0.674 1.000 0.778 CA 1.304 Z: 12 19.356 2.050 0.671 0.893 1.000 1.000 CA 1.224 12 residues pruned to eliminate duplicates Z: 12 17.043 1.900 0.887 0.891 0.909 0.545 CB 1.133 12 residues pruned to eliminate duplicates Z: 23 34.542 2.047 0.762 0.855 1.000 0.636 CA 1.507 23 residues pruned to eliminate duplicates Z: 46 22.541 1.935 0.784 0.467 0.822 0.378 CB 1.224 60 residues pruned to eliminate duplicates Z: 13 23.608 2.032 0.849 0.794 0.917 0.833 CA 1.529 13 residues pruned to eliminate duplicates Z: 13 20.849 1.938 0.781 0.849 0.917 0.750 CA 1.410 13 residues pruned to eliminate duplicates Z: 18 15.665 2.016 0.863 0.470 0.824 0.471 CB 1.267 12 residues pruned to eliminate duplicates Z: 11 12.744 1.877 0.495 0.926 1.000 0.900 CB 1.008 10 residues pruned to eliminate duplicates Z: 13 21.071 1.971 0.727 0.813 0.917 0.667 CB 1.485 13 residues pruned to eliminate duplicates Z: 13 17.405 1.899 0.702 0.793 0.917 0.750 CA 1.312 13 residues pruned to eliminate duplicates Z: 29 18.420 1.981 0.677 0.437 0.821 0.429 CB 1.361 29 residues pruned to eliminate duplicates Z: 15 27.121 1.971 1.031 0.794 0.929 0.643 N 1.506 14 residues pruned to eliminate duplicates Z: 22 25.507 1.984 0.651 0.878 0.905 0.667 CB 1.362 22 residues pruned to eliminate duplicates Z: 23 31.503 2.059 0.760 0.873 1.000 0.909 CA 1.350 23 residues pruned to eliminate duplicates Z: 23 26.664 2.018 0.646 0.869 1.000 0.864 CA 1.250 23 residues pruned to eliminate duplicates Z: 81 33.853 1.922 0.492 0.570 0.925 0.600 CB 1.333 68 residues pruned to eliminate duplicates Z: 49 29.610 1.969 0.691 0.554 0.938 0.646 CB 1.299 12 residues pruned to eliminate duplicates Z: 35 29.558 2.005 0.509 0.726 0.971 0.735 CA 1.407 24 residues pruned to eliminate duplicates Z: 7 13.131 1.833 0.874 0.866 1.000 0.500 CA 1.143 7 residues pruned to eliminate duplicates Z: 11 8.096 1.665 0.217 0.607 1.000 0.800 CA 1.142 11 residues pruned to eliminate duplicates Z: 29 20.178 1.881 0.756 0.541 0.857 0.536 CB 1.294 11 residues pruned to eliminate duplicates Z: 42 34.687 2.125 0.869 0.509 0.878 0.585 CA 1.540 27 residues pruned to eliminate duplicates Z: 11 16.619 1.978 0.792 0.889 1.000 0.900 CB 1.067 11 residues pruned to eliminate duplicates Z: 50 27.563 1.980 0.666 0.574 0.857 0.653 CB 1.297 49 residues pruned to eliminate duplicates Z: 23 24.082 2.031 0.640 0.862 0.955 0.864 CA 1.186 23 residues pruned to eliminate duplicates Z: 6 5.898 1.704 0.939 0.501 0.800 0.600 CB 0.997 Z: 49 20.528 1.852 0.665 0.402 0.854 0.521 CB 1.248 49 residues pruned to eliminate duplicates Z: 23 34.211 2.005 1.053 0.901 1.000 0.591 CA 1.265 23 residues pruned to eliminate duplicates Z: 44 29.435 2.017 0.462 0.597 0.953 0.628 CA 1.455 44 residues pruned to eliminate duplicates Z: 20 26.011 2.006 0.849 0.802 0.947 0.526 CA 1.305 20 residues pruned to eliminate duplicates Z: 37 19.477 1.916 0.525 0.469 0.917 0.611 CB 1.250 6 residues pruned to eliminate duplicates Z: 12 17.224 2.062 0.975 0.910 1.000 0.909 CB 0.904 Z: 9 10.121 1.748 0.903 0.700 0.750 0.625 CB 1.196 9 residues pruned to eliminate duplicates Z: 14 10.247 1.849 0.348 0.537 0.846 0.538 CB 1.299 15 residues pruned to eliminate duplicates Z: 19 18.494 2.049 0.914 0.349 0.833 0.333 CB 1.571 19 residues pruned to eliminate duplicates Z: 25 15.845 1.817 0.630 0.572 0.958 0.500 CB 1.063 25 residues pruned to eliminate duplicates Z: 40 27.741 1.932 0.723 0.582 0.923 0.667 CB 1.336 34 residues pruned to eliminate duplicates Z: 23 22.992 1.982 0.543 0.836 0.864 0.591 CB 1.389 17 residues pruned to eliminate duplicates Z: 24 32.868 1.983 0.762 0.881 1.000 0.783 CB 1.421 24 residues pruned to eliminate duplicates Z: 7 9.839 1.843 1.179 0.640 0.833 0.667 CB 1.053 Z: 22 25.589 1.973 0.729 0.866 0.905 0.619 CB 1.325 23 residues pruned to eliminate duplicates Z: 15 12.181 1.823 0.736 0.515 0.786 0.571 CA 1.290 22 residues pruned to eliminate duplicates Z: 23 28.885 1.996 0.964 0.862 0.909 0.727 CB 1.269 23 residues pruned to eliminate duplicates Z: 22 36.766 2.074 0.820 0.900 1.000 0.619 CB 1.518 22 residues pruned to eliminate duplicates Z: 24 28.560 2.036 0.502 0.880 1.000 0.826 CA 1.411 24 residues pruned to eliminate duplicates Z: 11 12.204 1.858 0.466 0.683 0.900 0.600 CB 1.331 Z: 8 8.466 1.728 0.535 0.896 1.000 0.857 CB 0.864 Z: 6 12.963 1.907 0.916 0.694 1.000 0.600 CB 1.329 5 residues pruned to eliminate duplicates Z: 22 17.982 2.069 0.756 0.413 0.905 0.476 CB 1.307 16 residues pruned to eliminate duplicates Z: 17 19.959 1.894 0.456 0.871 1.000 0.812 CA 1.320 17 residues pruned to eliminate duplicates Z: 21 28.646 1.997 0.805 0.869 0.950 0.800 CA 1.366 21 residues pruned to eliminate duplicates Z: 14 5.010 1.532 0.500 0.326 0.769 0.385 CB 0.951 Z: 8 9.075 1.765 0.421 0.549 0.857 0.429 CA 1.520 8 residues pruned to eliminate duplicates Z: 30 27.950 1.923 0.859 0.582 0.931 0.448 CB 1.441 15 residues pruned to eliminate duplicates Z: 24 33.840 2.074 0.710 0.861 0.957 0.870 CB 1.528 24 residues pruned to eliminate duplicates Z: 14 15.221 1.777 0.449 0.859 1.000 0.846 CB 1.206 14 residues pruned to eliminate duplicates Z: 11 15.645 1.951 0.449 0.748 1.000 0.800 CA 1.403 11 residues pruned to eliminate duplicates Z: 12 13.128 1.795 0.172 0.831 1.000 0.818 CA 1.414 12 residues pruned to eliminate duplicates Z: 12 13.398 1.872 0.338 0.859 1.000 1.000 CA 1.187 12 residues pruned to eliminate duplicates Z: 24 32.678 2.016 0.717 0.865 1.000 0.783 CA 1.442 24 residues pruned to eliminate duplicates Z: 11 13.510 1.870 0.504 0.567 1.000 0.700 CB 1.423 Z: 8 9.177 1.758 0.299 0.900 1.000 1.000 CB 1.085 8 residues pruned to eliminate duplicates Z: 50 31.678 1.937 0.442 0.651 0.939 0.673 CB 1.500 43 residues pruned to eliminate duplicates Z: 13 27.265 1.986 1.133 0.863 1.000 0.667 CA 1.364 13 residues pruned to eliminate duplicates Z: 26 14.884 1.931 0.498 0.423 0.920 0.520 CA 1.213 26 residues pruned to eliminate duplicates Z: 24 20.489 1.906 0.422 0.825 0.957 0.783 CA 1.244 24 residues pruned to eliminate duplicates Z: 9 9.724 1.611 0.431 0.840 1.000 0.875 CA 1.113 Z: 12 30.471 1.986 1.387 0.922 1.000 1.000 CA 1.362 12 residues pruned to eliminate duplicates Z: 12 19.934 1.792 0.551 0.910 1.000 0.818 CA 1.533 12 residues pruned to eliminate duplicates Z: 13 13.670 1.685 0.518 0.789 0.917 0.667 CB 1.306 13 residues pruned to eliminate duplicates Z: 42 27.250 1.989 0.833 0.560 0.951 0.463 CB 1.157 12 residues pruned to eliminate duplicates Z: 11 19.968 2.082 0.914 0.918 1.000 0.700 CB 1.118 11 residues pruned to eliminate duplicates Z: 11 11.061 1.650 0.744 0.535 0.900 0.500 CB 1.305 11 residues pruned to eliminate duplicates Z: 12 22.210 1.799 0.786 0.883 1.000 1.000 CA 1.508 12 residues pruned to eliminate duplicates Z: 9 11.766 1.880 0.396 0.674 1.000 1.000 CA 1.350 9 residues pruned to eliminate duplicates Z: 12 16.392 1.948 0.636 0.928 1.000 0.818 CB 1.086 12 residues pruned to eliminate duplicates Z: 42 34.448 2.095 0.800 0.522 0.927 0.439 CB 1.506 49 residues pruned to eliminate duplicates Z: 32 27.218 2.035 0.668 0.693 0.968 0.742 CB 1.247 32 residues pruned to eliminate duplicates Z: 32 17.816 1.818 0.477 0.543 0.839 0.613 CB 1.362 32 residues pruned to eliminate duplicates Z: 11 9.951 1.660 0.724 0.512 0.900 0.500 O 1.207 11 residues pruned to eliminate duplicates Z: 20 30.268 2.033 0.908 0.872 0.947 0.632 CA 1.377 20 residues pruned to eliminate duplicates Z: 11 9.390 1.889 0.720 0.493 0.900 0.300 CB 1.023 Z: 8 7.219 1.689 0.649 0.575 0.857 0.714 CB 1.064 Z: 23 34.516 2.001 1.073 0.903 1.000 0.545 CA 1.265 23 residues pruned to eliminate duplicates Z: 23 29.313 2.010 0.529 0.872 1.000 0.727 CB 1.482 22 residues pruned to eliminate duplicates Z: 21 15.078 1.957 0.515 0.469 0.900 0.550 CB 1.303 21 residues pruned to eliminate duplicates Z: 12 15.721 1.959 0.478 0.894 1.000 0.727 CB 1.174 12 residues pruned to eliminate duplicates Z: 37 26.710 2.005 0.810 0.534 0.944 0.583 CB 1.256 37 residues pruned to eliminate duplicates Z: 6 7.264 1.798 0.492 0.599 0.800 0.600 CA 1.377 6 residues pruned to eliminate duplicates Z: 39 20.067 1.944 0.617 0.474 0.842 0.684 CB 1.263 11 residues pruned to eliminate duplicates Z: 14 13.376 1.652 0.484 0.840 0.923 0.692 CB 1.224 13 residues pruned to eliminate duplicates Z: 43 36.437 2.125 0.851 0.545 0.905 0.548 CB 1.512 43 residues pruned to eliminate duplicates Z: 34 18.397 1.844 0.630 0.462 0.879 0.606 CA 1.261 Z: 39 28.794 1.961 0.800 0.680 0.947 0.421 CB 1.183 39 residues pruned to eliminate duplicates Z: 14 21.754 1.842 0.788 0.843 1.000 0.846 CB 1.364 14 residues pruned to eliminate duplicates Z: 13 21.310 1.889 0.666 0.930 1.000 1.000 CA 1.367 13 residues pruned to eliminate duplicates Z: 23 27.762 1.988 0.621 0.879 1.000 0.727 CB 1.332 23 residues pruned to eliminate duplicates Z: 14 20.081 1.911 0.836 0.804 1.000 0.846 CA 1.217 14 residues pruned to eliminate duplicates Z: 29 23.535 2.063 0.624 0.573 0.857 0.607 CA 1.444 24 residues pruned to eliminate duplicates Z: 35 33.151 2.030 0.984 0.673 0.912 0.529 CB 1.320 35 residues pruned to eliminate duplicates Z: 6 5.631 1.799 0.230 0.556 1.000 0.800 CB 1.078 Z: 32 33.416 2.093 0.533 0.770 1.000 0.774 CA 1.473 32 residues pruned to eliminate duplicates Z: 9 5.563 1.668 0.056 0.427 1.000 0.375 CB 1.204 Z: 14 12.371 1.837 0.874 0.478 0.692 0.462 CB 1.473 14 residues pruned to eliminate duplicates Z: 21 10.517 1.927 0.462 0.429 0.900 0.500 CB 0.999 20 residues pruned to eliminate duplicates Z: 86 42.275 1.963 0.615 0.625 0.941 0.706 CB 1.367 86 residues pruned to eliminate duplicates Z: 11 3.413 1.601 0.017 0.264 0.900 0.500 CB 0.964 Z: 13 27.512 1.956 1.178 0.862 1.000 0.917 CA 1.369 13 residues pruned to eliminate duplicates Z: 16 18.207 1.583 0.648 0.843 1.000 0.533 CB 1.342 13 residues pruned to eliminate duplicates Z: 28 20.452 1.963 0.705 0.432 0.926 0.593 CB 1.363 28 residues pruned to eliminate duplicates Z: 6 7.644 1.716 0.478 0.772 0.800 0.400 N 1.325 6 residues pruned to eliminate duplicates Z: 8 2.398 1.630 0.287 0.431 0.714 0.714 CB 0.650 Z: 23 35.510 1.953 1.034 0.888 1.000 0.545 CA 1.373 23 residues pruned to eliminate duplicates Z: 12 30.180 2.149 1.059 0.887 1.000 0.727 CA 1.483 12 residues pruned to eliminate duplicates Z: 23 27.258 2.029 0.580 0.858 1.000 0.818 CA 1.335 23 residues pruned to eliminate duplicates Z: 14 13.131 1.810 0.410 0.737 0.923 0.846 CA 1.250 Z: 41 32.218 1.987 0.660 0.622 0.950 0.725 CB 1.449 41 residues pruned to eliminate duplicates Z: 15 18.485 1.702 0.588 0.822 1.000 0.857 CB 1.383 15 residues pruned to eliminate duplicates Z: 9 8.137 1.932 0.267 0.520 0.875 0.500 CA 1.316 6 residues pruned to eliminate duplicates Z: 38 23.035 1.907 0.572 0.486 0.946 0.568 CB 1.354 38 residues pruned to eliminate duplicates Z: 9 7.933 1.759 0.125 0.880 1.000 0.875 CB 1.027 9 residues pruned to eliminate duplicates Z: 20 15.343 1.985 0.458 0.471 0.895 0.579 CB 1.400 21 residues pruned to eliminate duplicates Z: 12 7.404 1.758 0.520 0.347 0.818 0.455 CB 1.206 12 residues pruned to eliminate duplicates Z: 22 27.140 1.929 0.654 0.884 0.952 0.571 CB 1.409 22 residues pruned to eliminate duplicates Z: 19 8.180 1.642 0.347 0.606 0.889 0.389 CB 0.887 Z: 40 27.211 1.954 0.647 0.518 0.897 0.590 CA 1.482 40 residues pruned to eliminate duplicates Z: 22 19.182 1.891 0.214 0.869 1.000 0.810 CA 1.332 22 residues pruned to eliminate duplicates Z: 12 7.045 1.617 0.544 0.302 0.818 0.455 O 1.297 Z: 7 7.387 1.701 0.781 0.761 0.667 0.500 CB 1.184 7 residues pruned to eliminate duplicates Z: 26 33.850 2.025 1.175 0.605 0.920 0.480 CA 1.512 24 residues pruned to eliminate duplicates Z: 8 11.662 1.620 0.630 0.843 1.000 0.857 CA 1.243 8 residues pruned to eliminate duplicates Z: 83 37.388 1.980 0.597 0.601 0.915 0.634 CB 1.297 83 residues pruned to eliminate duplicates Z: 13 22.620 1.866 1.153 0.829 1.000 0.750 CB 1.223 13 residues pruned to eliminate duplicates Z: 8 8.805 1.985 0.068 0.700 1.000 0.714 CB 1.309 Z: 7 11.591 1.659 0.646 0.794 1.000 0.500 CB 1.339 7 residues pruned to eliminate duplicates Z: 8 5.507 1.708 0.594 0.683 0.714 0.714 CB 0.904 8 residues pruned to eliminate duplicates Z: 22 27.808 1.980 0.658 0.875 1.000 0.714 CB 1.344 22 residues pruned to eliminate duplicates Z: 10 7.534 1.597 0.785 0.380 1.000 0.889 CB 1.002 Z: 17 6.663 1.742 0.085 0.486 0.750 0.625 CB 1.191 15 residues pruned to eliminate duplicates Z: 22 30.000 2.078 0.528 0.886 1.000 0.857 CA 1.487 22 residues pruned to eliminate duplicates Z: 30 28.642 2.103 0.881 0.505 0.897 0.586 CB 1.492 32 residues pruned to eliminate duplicates Z: 11 17.106 1.902 0.758 0.818 1.000 0.800 CB 1.228 11 residues pruned to eliminate duplicates Z: 23 34.381 2.045 0.996 0.809 1.000 0.591 CA 1.372 23 residues pruned to eliminate duplicates Z: 11 18.076 1.914 0.570 0.864 1.000 0.600 CB 1.395 11 residues pruned to eliminate duplicates Z: 13 18.476 1.820 0.755 0.790 0.917 0.667 CB 1.412 13 residues pruned to eliminate duplicates Z: 24 26.658 2.089 0.328 0.859 1.000 0.826 CA 1.474 24 residues pruned to eliminate duplicates Z: 11 12.865 1.953 0.640 0.891 0.900 0.800 CB 1.014 11 residues pruned to eliminate duplicates Z: 22 34.528 2.095 0.684 0.910 1.000 0.810 CB 1.514 22 residues pruned to eliminate duplicates Z: 13 18.590 1.927 0.774 0.824 1.000 0.750 CB 1.186 13 residues pruned to eliminate duplicates Z: 41 23.907 1.897 0.602 0.528 0.850 0.500 CB 1.424 41 residues pruned to eliminate duplicates Z: 13 7.188 1.737 0.453 0.457 0.667 0.417 CB 1.289 13 residues pruned to eliminate duplicates Z: 11 5.753 1.703 0.414 0.294 0.700 0.700 CB 1.358 8 residues pruned to eliminate duplicates Z: 15 19.844 1.734 0.846 0.790 1.000 0.571 CA 1.285 14 residues pruned to eliminate duplicates Z: 6 5.138 1.825 0.694 0.811 0.600 0.600 CB 0.945 6 residues pruned to eliminate duplicates Z: 30 16.199 1.905 0.484 0.394 0.931 0.552 CB 1.278 30 residues pruned to eliminate duplicates Z: 40 32.321 2.012 0.879 0.512 0.923 0.667 CB 1.465 21 residues pruned to eliminate duplicates Z: 23 29.081 2.034 0.556 0.843 1.000 0.818 CA 1.459 23 residues pruned to eliminate duplicates Z: 9 6.428 1.872 0.296 0.451 0.875 0.750 CB 1.125 5 residues pruned to eliminate duplicates Z: 41 25.097 2.019 0.823 0.414 0.825 0.500 CB 1.429 41 residues pruned to eliminate duplicates Z: 23 31.170 1.972 0.945 0.869 1.000 0.591 CA 1.266 23 residues pruned to eliminate duplicates Z: 13 30.179 2.120 1.073 0.827 0.917 0.250 CA 1.630 13 residues pruned to eliminate duplicates Z: 23 23.484 2.000 0.523 0.830 0.909 0.727 CB 1.360 23 residues pruned to eliminate duplicates Z: 13 6.595 1.708 0.455 0.300 0.833 0.500 CB 1.149 13 residues pruned to eliminate duplicates Z: 12 20.684 1.980 0.699 0.850 1.000 0.909 CB 1.374 12 residues pruned to eliminate duplicates Z: 13 13.779 1.847 0.586 0.852 0.833 0.667 CB 1.205 13 residues pruned to eliminate duplicates Z: 23 30.004 2.031 0.869 0.892 0.955 0.909 CA 1.268 23 residues pruned to eliminate duplicates Z: 15 19.021 1.994 0.568 0.822 1.000 0.643 CB 1.229 15 residues pruned to eliminate duplicates Z: 8 8.784 1.664 0.925 0.709 0.857 0.571 CB 1.001 8 residues pruned to eliminate duplicates Z: 22 34.007 2.026 0.977 0.864 0.952 0.524 CA 1.427 22 residues pruned to eliminate duplicates Z: 10 7.463 1.635 0.358 0.469 0.889 0.778 CB 1.301 Z: 59 29.198 1.941 0.541 0.579 0.914 0.621 CB 1.301 59 residues pruned to eliminate duplicates Z: 22 28.243 1.998 0.752 0.858 0.952 0.571 CB 1.361 22 residues pruned to eliminate duplicates Z: 16 20.546 1.929 0.491 0.827 1.000 0.600 CB 1.391 16 residues pruned to eliminate duplicates Z: 13 5.173 1.693 0.210 0.246 0.833 0.583 CB 1.172 13 residues pruned to eliminate duplicates Z: 11 4.799 1.510 0.201 0.578 0.900 0.600 CB 0.863 Z: 41 25.294 1.967 0.429 0.569 0.925 0.675 CA 1.438 41 residues pruned to eliminate duplicates Z: 19 13.634 1.779 0.604 0.499 0.944 0.500 CB 1.194 19 residues pruned to eliminate duplicates Z: 15 9.741 1.741 0.257 0.639 0.857 0.286 CB 1.218 15 residues pruned to eliminate duplicates Z: 25 14.481 1.843 0.560 0.396 0.875 0.625 CB 1.312 25 residues pruned to eliminate duplicates Z: 6 4.070 1.687 0.458 0.380 0.800 0.600 CB 1.052 Z: 22 14.332 1.980 0.737 0.434 0.857 0.476 CB 1.136 22 residues pruned to eliminate duplicates Z: 9 8.227 1.727 0.310 0.775 1.000 0.875 CA 1.009 9 residues pruned to eliminate duplicates Z: 33 31.854 2.042 0.689 0.600 0.969 0.750 CA 1.532 33 residues pruned to eliminate duplicates Z: 15 4.590 1.649 0.434 0.230 0.714 0.500 CB 0.995 9 residues pruned to eliminate duplicates Z: 22 24.231 1.992 0.476 0.880 0.905 0.762 CB 1.441 22 residues pruned to eliminate duplicates Z: 7 4.919 1.492 0.673 0.508 0.667 0.500 CB 1.197 Z: 23 29.522 2.069 0.563 0.839 1.000 0.864 CA 1.453 23 residues pruned to eliminate duplicates Z: 23 21.861 1.945 0.953 0.542 0.909 0.682 CB 1.296 23 residues pruned to eliminate duplicates Z: 24 24.115 1.944 0.701 0.810 1.000 0.609 CA 1.160 24 residues pruned to eliminate duplicates Z: 23 26.252 2.010 0.617 0.894 1.000 0.909 CA 1.236 23 residues pruned to eliminate duplicates Z: 8 6.243 1.740 0.688 0.326 0.857 0.429 CB 1.134 8 residues pruned to eliminate duplicates Z: 83 40.415 1.996 0.644 0.620 0.878 0.598 CB 1.383 83 residues pruned to eliminate duplicates Z: 40 29.305 1.974 0.566 0.605 0.974 0.718 CA 1.410 40 residues pruned to eliminate duplicates Z: 9 8.496 1.779 0.519 0.421 0.875 0.625 O 1.379 Z: 12 22.110 2.060 0.859 0.881 0.818 0.364 CB 1.540 12 residues pruned to eliminate duplicates Z: 19 7.917 1.907 0.254 0.344 0.722 0.556 CA 1.280 19 residues pruned to eliminate duplicates Z: 6 6.459 1.798 0.625 0.872 1.000 1.000 CB 0.721 6 residues pruned to eliminate duplicates Z: 23 25.404 1.968 0.519 0.871 1.000 0.727 CA 1.321 23 residues pruned to eliminate duplicates Z: 11 12.053 1.775 0.712 0.579 0.900 0.400 CA 1.292 11 residues pruned to eliminate duplicates Z: 6 4.822 1.695 0.898 0.731 1.000 0.600 CB 0.544 Z: 13 14.800 1.576 0.695 0.802 1.000 0.667 CA 1.228 12 residues pruned to eliminate duplicates Z: 6 6.948 1.838 0.475 0.552 1.000 0.800 CB 1.090 Z: 45 31.478 1.977 0.802 0.566 0.955 0.727 CB 1.310 49 residues pruned to eliminate duplicates Z: 6 3.138 1.355 0.049 0.808 1.000 0.400 CB 0.755 6 residues pruned to eliminate duplicates Z: 9 2.867 1.513 0.318 0.189 0.625 0.250 CB 1.182 9 residues pruned to eliminate duplicates Z: 24 27.291 1.927 0.733 0.829 0.957 0.652 CB 1.341 31 residues pruned to eliminate duplicates Z: 23 32.499 2.010 0.828 0.868 1.000 0.636 CA 1.378 23 residues pruned to eliminate duplicates Z: 6 4.026 1.608 0.324 0.300 0.800 0.400 CA 1.322 Z: 10 13.479 1.880 1.123 0.604 0.778 0.667 CA 1.312 10 residues pruned to eliminate duplicates Z: 11 9.206 1.684 0.290 0.772 1.000 0.700 CA 1.053 11 residues pruned to eliminate duplicates Z: 10 22.277 1.947 0.736 0.900 1.000 0.889 CB 1.570 10 residues pruned to eliminate duplicates Z: 10 9.154 1.897 0.450 0.563 0.889 0.333 CB 1.174 9 residues pruned to eliminate duplicates Z: 7 3.255 1.463 0.528 0.506 0.667 0.500 CB 0.886 Z: 70 32.478 1.988 0.561 0.578 0.841 0.609 CB 1.391 65 residues pruned to eliminate duplicates Z: 9 9.678 1.727 0.841 0.726 0.750 0.750 CB 1.171 9 residues pruned to eliminate duplicates Z: 41 28.630 1.956 0.808 0.495 0.900 0.550 CB 1.430 40 residues pruned to eliminate duplicates Z: 13 20.002 1.674 0.729 0.866 1.000 0.833 CA 1.461 13 residues pruned to eliminate duplicates Z: 6 4.206 1.137 0.579 0.790 1.000 0.800 CB 0.812 Z: 15 14.627 1.990 0.278 0.494 1.000 0.571 CA 1.547 15 residues pruned to eliminate duplicates Z: 8 10.018 1.570 0.568 0.876 1.000 0.857 CA 1.118 8 residues pruned to eliminate duplicates Z: 16 15.949 2.007 0.582 0.536 0.867 0.667 CA 1.444 16 residues pruned to eliminate duplicates Z: 9 4.120 1.665 0.189 0.393 0.750 0.500 CA 1.099 Z: 6 3.520 1.635 0.640 0.540 0.600 0.600 CB 0.941 Z: 6 4.057 1.633 0.676 0.438 0.800 0.800 CB 0.884 Z: 23 10.947 1.945 0.628 0.338 0.818 0.500 CB 1.075 23 residues pruned to eliminate duplicates Z: 10 13.766 1.871 0.613 0.888 1.000 0.333 CB 1.095 10 residues pruned to eliminate duplicates Z: 41 27.639 1.970 0.710 0.498 0.950 0.625 CA 1.369 41 residues pruned to eliminate duplicates Z: 29 23.647 1.924 0.870 0.540 0.893 0.357 CB 1.337 28 residues pruned to eliminate duplicates Z: 15 16.313 1.694 0.850 0.815 0.929 0.571 CB 1.140 15 residues pruned to eliminate duplicates Z: 13 14.641 1.892 0.612 0.829 0.917 0.750 CB 1.138 13 residues pruned to eliminate duplicates Z: 15 14.303 1.914 0.556 0.561 1.000 0.643 CB 1.210 15 residues pruned to eliminate duplicates Z: 7 5.661 1.689 0.259 0.386 1.000 0.500 CB 1.228 Z: 23 31.315 2.050 0.807 0.843 1.000 0.682 CA 1.343 25 residues pruned to eliminate duplicates Z: 7 6.401 1.431 0.535 0.751 1.000 0.500 N 0.951 7 residues pruned to eliminate duplicates Z: 8 9.335 1.772 0.351 0.887 1.000 0.857 CA 1.062 8 residues pruned to eliminate duplicates Z: 23 30.194 2.052 0.697 0.888 1.000 0.909 CA 1.332 23 residues pruned to eliminate duplicates Z: 11 5.321 1.737 0.494 0.199 0.700 0.400 CB 1.326 7 residues pruned to eliminate duplicates Z: 42 34.738 2.113 0.848 0.529 0.902 0.512 CB 1.497 42 residues pruned to eliminate duplicates Z: 23 30.683 2.002 0.903 0.893 0.955 0.636 CA 1.291 23 residues pruned to eliminate duplicates Z: 6 2.375 1.207 0.762 0.296 0.800 0.800 CA 0.784 Z: 23 20.774 1.889 0.217 0.878 1.000 0.909 CA 1.397 23 residues pruned to eliminate duplicates Z: 37 22.389 1.920 0.592 0.457 0.944 0.556 CA 1.350 40 residues pruned to eliminate duplicates Z: 24 22.891 1.958 0.600 0.888 1.000 0.826 CA 1.098 23 residues pruned to eliminate duplicates Z: 41 25.614 2.012 0.682 0.434 0.850 0.500 CA 1.508 38 residues pruned to eliminate duplicates Z: 22 25.869 2.038 0.391 0.884 1.000 0.905 CA 1.439 22 residues pruned to eliminate duplicates Z: 22 25.643 1.946 1.039 0.539 0.952 0.476 CB 1.425 22 residues pruned to eliminate duplicates Z: 10 5.405 1.693 0.715 0.242 0.667 0.556 CB 1.254 Z: 23 32.799 1.903 0.821 0.879 1.000 0.591 CB 1.463 23 residues pruned to eliminate duplicates Z: 17 12.491 1.754 0.416 0.649 0.875 0.438 CB 1.251 15 residues pruned to eliminate duplicates Z: 15 15.549 1.828 0.641 0.718 0.857 0.786 CA 1.327 15 residues pruned to eliminate duplicates Z: 23 31.131 2.010 0.854 0.866 1.000 0.773 CB 1.304 23 residues pruned to eliminate duplicates Z: 8 7.953 1.467 0.970 0.472 1.000 0.714 CB 1.071 Z: 11 13.593 1.918 0.459 0.931 0.900 0.900 CB 1.193 11 residues pruned to eliminate duplicates Z: 43 34.005 2.086 0.876 0.510 0.905 0.476 CB 1.467 43 residues pruned to eliminate duplicates Z: 50 32.179 1.959 0.770 0.609 0.980 0.612 CB 1.220 49 residues pruned to eliminate duplicates Z: 23 23.031 1.966 0.434 0.871 1.000 0.909 CA 1.270 23 residues pruned to eliminate duplicates Z: 24 13.966 1.898 0.791 0.433 0.783 0.435 CB 1.174 24 residues pruned to eliminate duplicates Z: 15 8.030 1.763 0.526 0.233 0.786 0.286 CB 1.385 15 residues pruned to eliminate duplicates Z: 23 21.674 1.921 0.492 0.832 0.955 0.682 CB 1.268 23 residues pruned to eliminate duplicates Z: 12 11.177 1.871 0.693 0.481 1.000 0.455 CA 1.085 Z: 13 16.519 2.027 0.447 0.820 1.000 0.750 CA 1.231 13 residues pruned to eliminate duplicates Z: 42 26.787 1.953 0.594 0.508 0.902 0.634 CB 1.477 42 residues pruned to eliminate duplicates Z: 11 11.944 1.892 0.245 0.913 1.000 1.000 CA 1.134 11 residues pruned to eliminate duplicates Z: 9 8.408 1.823 0.162 0.766 1.000 0.750 CA 1.108 9 residues pruned to eliminate duplicates Z: 14 19.099 1.867 0.547 0.841 1.000 0.846 CA 1.368 14 residues pruned to eliminate duplicates Z: 38 20.081 1.863 0.525 0.486 0.919 0.432 CB 1.282 38 residues pruned to eliminate duplicates Z: 32 24.172 1.937 0.464 0.707 0.903 0.742 CB 1.404 32 residues pruned to eliminate duplicates Z: 12 10.388 1.836 0.115 0.699 1.000 0.455 CB 1.277 12 residues pruned to eliminate duplicates 6 1.576 1.683 0.379 0.479 0.600 0.600 CB 0.517 ? Z: 10 8.761 1.887 0.701 0.444 0.778 0.778 CA 1.240 10 residues pruned to eliminate duplicates Z: 13 14.926 1.877 0.419 0.866 1.000 0.917 CA 1.184 13 residues pruned to eliminate duplicates Z: 40 27.915 1.954 0.596 0.605 0.923 0.744 CB 1.406 40 residues pruned to eliminate duplicates Z: 28 18.442 1.895 0.666 0.561 0.926 0.444 CB 1.145 28 residues pruned to eliminate duplicates Z: 12 17.256 1.707 0.852 0.843 0.909 0.636 CB 1.348 12 residues pruned to eliminate duplicates Z: 6 8.573 1.819 0.923 0.660 1.000 0.800 CB 0.945 7 residues pruned to eliminate duplicates Z: 12 18.353 2.012 0.525 0.806 1.000 0.909 CA 1.381 12 residues pruned to eliminate duplicates Z: 10 11.095 1.761 0.726 0.614 0.889 0.667 CB 1.229 10 residues pruned to eliminate duplicates Z: 6 9.829 1.806 0.368 0.847 1.000 0.800 CA 1.321 6 residues pruned to eliminate duplicates Z: 36 18.432 1.787 0.631 0.381 0.886 0.571 CB 1.371 35 residues pruned to eliminate duplicates Z: 12 13.365 1.846 1.205 0.451 0.909 0.636 CA 1.145 12 residues pruned to eliminate duplicates Z: 11 25.705 2.039 0.814 0.892 1.000 0.700 CA 1.579 11 residues pruned to eliminate duplicates Z: 6 6.324 1.733 0.359 0.589 0.800 0.800 O 1.378 10 residues pruned to eliminate duplicates Z: 21 16.027 1.833 0.933 0.327 0.900 0.500 CB 1.359 21 residues pruned to eliminate duplicates Z: 13 12.153 1.680 0.409 0.782 0.917 0.667 CB 1.261 13 residues pruned to eliminate duplicates Z: 14 24.611 1.967 1.086 0.830 1.000 0.692 CA 1.250 14 residues pruned to eliminate duplicates Z: 22 23.775 1.962 0.277 0.892 1.000 0.857 CB 1.487 22 residues pruned to eliminate duplicates Z: 8 7.301 1.713 0.621 0.463 0.857 0.571 CB 1.204 8 residues pruned to eliminate duplicates Z: 39 14.949 1.894 0.293 0.369 0.895 0.526 CB 1.274 14 residues pruned to eliminate duplicates Z: 26 11.303 1.809 0.580 0.385 0.840 0.560 CB 1.064 17 residues pruned to eliminate duplicates Z: 10 18.215 1.857 1.055 0.838 1.000 0.889 CA 1.189 10 residues pruned to eliminate duplicates Z: 7 13.693 1.957 0.964 0.747 0.833 0.833 CB 1.400 7 residues pruned to eliminate duplicates Z: 22 34.211 2.075 0.972 0.858 0.952 0.762 CB 1.411 22 residues pruned to eliminate duplicates Z: 43 35.772 2.078 0.979 0.467 0.929 0.524 CB 1.495 43 residues pruned to eliminate duplicates Z: 92 33.754 1.882 0.564 0.508 0.912 0.571 CB 1.307 74 residues pruned to eliminate duplicates Z: 8 10.991 1.714 0.794 0.736 1.000 0.286 CB 1.093 8 residues pruned to eliminate duplicates Z: 42 20.214 1.935 0.609 0.469 0.829 0.415 CB 1.262 42 residues pruned to eliminate duplicates Z: 22 27.834 2.045 0.715 0.867 0.952 0.810 CA 1.330 22 residues pruned to eliminate duplicates Z: 14 19.403 1.818 0.651 0.802 1.000 0.923 CA 1.377 14 residues pruned to eliminate duplicates Z: 6 2.208 1.636 0.295 0.423 0.800 0.600 CB 0.631 Z: 33 25.471 1.985 0.707 0.506 0.906 0.531 CB 1.458 33 residues pruned to eliminate duplicates Z: 13 11.507 1.726 0.291 0.904 1.000 0.917 CA 1.061 13 residues pruned to eliminate duplicates Z: 38 14.339 1.812 0.367 0.345 0.865 0.486 CB 1.303 38 residues pruned to eliminate duplicates Z: 17 18.307 1.862 0.839 0.759 0.812 0.438 CB 1.307 17 residues pruned to eliminate duplicates Z: 23 30.148 2.004 0.677 0.870 1.000 0.818 CA 1.396 23 residues pruned to eliminate duplicates Z: 13 16.551 1.865 0.663 0.857 1.000 0.917 CB 1.135 13 residues pruned to eliminate duplicates Z: 15 23.644 1.709 1.027 0.871 1.000 0.500 CB 1.330 15 residues pruned to eliminate duplicates Z: 12 25.532 2.044 1.086 0.865 1.000 0.636 CB 1.323 12 residues pruned to eliminate duplicates Z: 24 17.378 1.955 0.738 0.436 0.870 0.652 CB 1.310 24 residues pruned to eliminate duplicates Z: 42 26.620 1.928 0.527 0.566 0.951 0.659 CB 1.393 42 residues pruned to eliminate duplicates Z: 28 23.874 2.015 0.842 0.495 0.963 0.593 CB 1.292 28 residues pruned to eliminate duplicates Z: 39 32.187 2.003 0.713 0.621 0.921 0.763 CA 1.474 39 residues pruned to eliminate duplicates Z: 22 9.616 1.675 0.476 0.383 0.810 0.619 CB 1.187 22 residues pruned to eliminate duplicates Z: 6 5.966 1.649 0.259 0.758 1.000 0.600 CA 1.021 6 residues pruned to eliminate duplicates Z: 20 11.166 1.722 0.484 0.433 0.895 0.684 CB 1.200 20 residues pruned to eliminate duplicates Z: 28 12.864 1.782 0.637 0.437 0.778 0.481 CB 1.165 28 residues pruned to eliminate duplicates Z: 21 12.355 1.787 0.809 0.329 0.750 0.350 CB 1.375 21 residues pruned to eliminate duplicates Z: 52 25.514 1.919 0.531 0.585 0.941 0.627 CB 1.191 52 residues pruned to eliminate duplicates Z: 23 24.353 2.021 0.403 0.855 1.000 0.864 CA 1.351 23 residues pruned to eliminate duplicates Z: 7 3.384 1.402 0.348 0.497 0.833 0.500 CB 0.880 10 residues pruned to eliminate duplicates Z: 28 19.277 1.937 0.743 0.428 0.852 0.667 CB 1.389 28 residues pruned to eliminate duplicates Z: 22 24.773 1.970 0.401 0.877 1.000 0.762 CA 1.423 22 residues pruned to eliminate duplicates Z: 7 12.641 1.838 0.581 0.844 1.000 0.500 CA 1.321 7 residues pruned to eliminate duplicates Z: 10 5.039 1.563 0.446 0.386 0.889 0.444 CB 0.943 10 residues pruned to eliminate duplicates Z: 17 7.017 1.656 0.484 0.345 0.750 0.562 CB 1.126 11 residues pruned to eliminate duplicates Z: 32 16.674 1.764 0.565 0.526 0.871 0.677 CB 1.214 32 residues pruned to eliminate duplicates Z: 21 20.690 1.891 0.493 0.908 1.000 0.850 CA 1.164 21 residues pruned to eliminate duplicates Z: 14 21.333 1.934 0.745 0.803 1.000 0.769 CA 1.346 14 residues pruned to eliminate duplicates Z: 20 13.930 1.959 0.798 0.347 0.789 0.579 CB 1.356 20 residues pruned to eliminate duplicates 6 1.903 1.191 0.254 0.335 0.800 0.400 O 0.853 ? Z: 7 4.749 1.429 0.463 0.478 0.833 0.833 CA 1.138 Z: 22 25.651 2.015 0.611 0.877 0.905 0.714 CB 1.384 22 residues pruned to eliminate duplicates Z: 23 33.022 2.000 0.975 0.886 1.000 0.455 CA 1.286 23 residues pruned to eliminate duplicates Z: 12 18.530 1.958 0.484 0.900 1.000 0.636 CB 1.373 12 residues pruned to eliminate duplicates Z: 18 18.894 1.984 0.730 0.546 0.882 0.412 CB 1.447 18 residues pruned to eliminate duplicates Z: 14 14.986 1.775 0.652 0.775 0.923 0.692 CA 1.204 14 residues pruned to eliminate duplicates Z: 23 25.791 2.039 0.546 0.839 0.909 0.773 CB 1.432 23 residues pruned to eliminate duplicates Z: 14 14.867 1.836 0.416 0.846 1.000 0.846 CA 1.178 14 residues pruned to eliminate duplicates Z: 11 8.182 1.806 0.482 0.870 0.800 0.500 CB 0.882 11 residues pruned to eliminate duplicates Z: 6 2.568 1.293 0.561 0.297 0.800 0.600 CB 0.892 Z: 16 12.380 1.763 0.494 0.539 0.933 0.600 CB 1.251 16 residues pruned to eliminate duplicates Z: 35 33.369 2.118 0.812 0.524 0.971 0.500 CB 1.500 35 residues pruned to eliminate duplicates Z: 13 14.240 1.833 1.000 0.370 0.917 0.583 CB 1.406 20 residues pruned to eliminate duplicates Z: 42 30.365 1.989 0.875 0.460 0.927 0.415 CB 1.430 44 residues pruned to eliminate duplicates Z: 6 2.932 1.607 0.533 0.601 1.000 0.800 CB 0.484 Z: 13 16.293 1.643 0.570 0.850 1.000 0.917 CB 1.351 13 residues pruned to eliminate duplicates Z: 6 2.015 1.519 -0.080 0.326 1.000 0.400 CB 0.781 Z: 6 2.295 1.767 -0.235 0.487 1.000 0.600 CB 0.769 Z: 13 8.669 1.892 0.413 0.488 0.750 0.417 CB 1.263 12 residues pruned to eliminate duplicates Z: 8 10.374 1.828 0.684 0.747 1.000 0.714 CA 1.021 8 residues pruned to eliminate duplicates Z: 10 9.233 1.543 0.472 0.767 0.889 0.667 CB 1.204 10 residues pruned to eliminate duplicates Z: 25 12.755 1.806 0.386 0.494 0.875 0.417 CB 1.196 25 residues pruned to eliminate duplicates Z: 22 29.037 1.997 0.869 0.824 0.952 0.667 CA 1.346 22 residues pruned to eliminate duplicates Z: 6 3.632 1.641 0.603 0.424 0.800 0.600 CB 0.835 Z: 11 14.838 1.840 0.395 0.891 0.900 0.900 CB 1.460 11 residues pruned to eliminate duplicates Z: 10 10.025 1.783 0.609 0.636 1.000 0.556 CA 1.026 10 residues pruned to eliminate duplicates Z: 15 11.936 1.883 0.355 0.387 0.929 0.429 CB 1.517 19 residues pruned to eliminate duplicates Z: 10 15.023 1.910 0.876 0.522 1.000 0.778 CA 1.368 10 residues pruned to eliminate duplicates Z: 13 16.673 1.865 0.642 0.842 0.917 0.833 CB 1.278 13 residues pruned to eliminate duplicates Z: 11 8.979 1.877 0.924 0.437 0.700 0.600 CB 1.199 11 residues pruned to eliminate duplicates Z: 22 28.744 2.005 0.608 0.871 0.952 0.619 CB 1.490 22 residues pruned to eliminate duplicates Z: 8 6.255 1.749 0.617 0.473 0.857 0.571 CB 1.002 6 residues pruned to eliminate duplicates Z: 36 31.232 2.081 0.660 0.616 0.943 0.657 CA 1.452 40 residues pruned to eliminate duplicates Z: 8 9.072 1.909 0.167 0.646 1.000 0.571 CA 1.344 8 residues pruned to eliminate duplicates Z: 19 12.429 1.766 0.663 0.496 0.889 0.556 CB 1.127 15 residues pruned to eliminate duplicates Z: 9 7.847 1.633 0.891 0.513 0.750 0.500 CB 1.183 Z: 11 10.149 1.530 0.469 0.906 1.000 0.900 CA 1.015 9 residues pruned to eliminate duplicates Z: 13 13.039 1.860 0.254 0.923 1.000 1.000 CB 1.134 13 residues pruned to eliminate duplicates Z: 23 25.231 2.039 0.341 0.898 1.000 0.909 CA 1.407 23 residues pruned to eliminate duplicates Z: 26 26.761 1.960 0.705 0.624 0.960 0.720 CA 1.484 26 residues pruned to eliminate duplicates Z: 20 18.437 1.912 0.132 0.882 1.000 0.895 CB 1.414 20 residues pruned to eliminate duplicates Z: 8 9.974 1.788 0.477 0.910 1.000 1.000 CB 1.013 8 residues pruned to eliminate duplicates Z: 12 17.744 1.953 0.696 0.918 0.909 0.818 CB 1.253 12 residues pruned to eliminate duplicates Z: 6 7.764 1.793 0.235 0.733 1.000 0.800 CB 1.271 Z: 12 19.308 1.791 0.878 0.830 1.000 0.909 CA 1.302 12 residues pruned to eliminate duplicates Z: 6 2.988 1.552 0.428 0.295 0.600 0.400 N 1.264 Z: 46 25.054 1.874 0.540 0.527 0.911 0.600 CB 1.383 44 residues pruned to eliminate duplicates Z: 16 15.431 1.813 0.757 0.622 0.933 0.667 CB 1.194 16 residues pruned to eliminate duplicates Z: 11 6.219 1.556 0.354 0.646 0.800 0.600 CA 1.019 11 residues pruned to eliminate duplicates Z: 22 19.339 1.889 0.327 0.896 0.857 0.857 CB 1.406 22 residues pruned to eliminate duplicates Z: 33 33.197 2.066 0.749 0.723 0.969 0.688 CB 1.372 33 residues pruned to eliminate duplicates Z: 27 11.626 1.707 0.611 0.413 0.885 0.538 CB 1.026 27 residues pruned to eliminate duplicates Z: 13 16.873 1.902 0.523 0.846 1.000 0.917 CA 1.249 13 residues pruned to eliminate duplicates Z: 19 11.600 1.933 0.615 0.366 0.833 0.556 CB 1.214 19 residues pruned to eliminate duplicates Z: 16 8.303 1.700 0.309 0.491 0.867 0.600 CB 1.122 22 residues pruned to eliminate duplicates Z: 29 13.949 1.952 0.508 0.373 0.857 0.500 CB 1.197 29 residues pruned to eliminate duplicates Z: 10 10.264 1.536 0.450 0.909 1.000 0.667 CB 1.090 10 residues pruned to eliminate duplicates Z: 58 26.522 1.837 0.635 0.572 0.895 0.702 CB 1.219 58 residues pruned to eliminate duplicates Z: 6 3.834 1.540 0.621 0.291 1.000 0.600 CB 0.868 Z: 6 4.765 1.616 1.025 0.496 0.800 0.800 N 0.818 Z: 19 7.449 1.737 0.276 0.305 0.833 0.389 CB 1.182 19 residues pruned to eliminate duplicates Z: 10 10.117 1.914 0.632 0.483 0.889 0.667 CB 1.236 10 residues pruned to eliminate duplicates Z: 24 30.311 1.991 0.756 0.852 1.000 0.696 CB 1.336 24 residues pruned to eliminate duplicates Z: 14 11.625 1.784 0.377 0.595 1.000 0.538 CB 1.198 14 residues pruned to eliminate duplicates Z: 39 18.167 1.824 0.542 0.466 0.895 0.500 CB 1.211 39 residues pruned to eliminate duplicates Z: 9 8.311 1.854 0.582 0.438 0.875 0.625 CB 1.220 9 residues pruned to eliminate duplicates Z: 9 7.831 1.802 0.382 0.775 0.750 0.625 CB 1.163 9 residues pruned to eliminate duplicates Z: 23 26.836 1.878 0.534 0.888 1.000 0.818 CB 1.430 23 residues pruned to eliminate duplicates Z: 36 12.623 1.819 0.394 0.336 0.771 0.400 CB 1.305 35 residues pruned to eliminate duplicates Z: 8 10.193 1.830 0.263 0.744 1.000 0.857 CA 1.340 8 residues pruned to eliminate duplicates Z: 16 8.589 1.826 0.368 0.335 0.800 0.467 CB 1.329 16 residues pruned to eliminate duplicates Z: 13 11.454 1.807 0.249 0.869 0.917 0.833 CB 1.168 13 residues pruned to eliminate duplicates Z: 6 6.007 1.919 0.161 0.606 0.800 0.200 CB 1.363 6 residues pruned to eliminate duplicates Z: 12 15.314 1.761 0.631 0.800 0.909 0.818 CA 1.361 12 residues pruned to eliminate duplicates Z: 6 5.129 1.605 0.673 0.538 0.800 0.800 CB 1.028 Z: 13 20.156 1.852 0.647 0.921 1.000 0.750 CB 1.342 13 residues pruned to eliminate duplicates Z: 8 9.437 1.665 0.472 0.856 1.000 0.714 CB 1.073 8 residues pruned to eliminate duplicates Z: 16 7.111 1.602 0.358 0.382 0.933 0.467 CB 1.025 16 residues pruned to eliminate duplicates Z: 31 24.579 2.002 0.751 0.554 0.900 0.633 CB 1.349 33 residues pruned to eliminate duplicates Z: 19 8.630 1.784 0.639 0.336 0.722 0.444 CA 1.152 19 residues pruned to eliminate duplicates Z: 11 12.454 1.685 0.543 0.893 1.000 0.800 CB 1.087 11 residues pruned to eliminate duplicates Z: 14 17.343 1.785 0.787 0.818 1.000 0.615 CA 1.144 14 residues pruned to eliminate duplicates Z: 29 13.967 1.906 0.422 0.344 0.893 0.500 CB 1.292 29 residues pruned to eliminate duplicates Z: 7 11.980 1.814 0.641 0.793 1.000 0.833 CA 1.270 7 residues pruned to eliminate duplicates Z: 27 11.408 1.823 0.407 0.337 0.923 0.577 CB 1.130 23 residues pruned to eliminate duplicates Z: 10 7.706 1.624 0.373 0.592 1.000 0.667 CB 1.055 10 residues pruned to eliminate duplicates Z: 10 6.192 1.793 0.806 0.672 1.000 0.556 CB 0.544 10 residues pruned to eliminate duplicates Z: 22 26.606 1.950 0.789 0.867 0.952 0.714 CB 1.278 22 residues pruned to eliminate duplicates Z: 13 25.287 1.955 0.906 0.896 1.000 0.917 CA 1.403 13 residues pruned to eliminate duplicates Z: 14 16.543 1.801 0.818 0.796 0.923 0.769 CB 1.171 14 residues pruned to eliminate duplicates Z: 41 29.354 1.970 0.717 0.537 0.925 0.550 CB 1.431 41 residues pruned to eliminate duplicates Z: 39 28.234 1.969 0.774 0.528 0.868 0.605 CB 1.469 39 residues pruned to eliminate duplicates Z: 9 8.173 1.843 0.274 0.460 0.875 0.625 CB 1.465 8 residues pruned to eliminate duplicates Z: 22 18.354 1.822 0.241 0.892 0.905 0.857 CA 1.406 22 residues pruned to eliminate duplicates Z: 13 15.087 1.858 0.540 0.901 0.917 0.833 CA 1.186 13 residues pruned to eliminate duplicates Z: 22 27.436 2.021 0.598 0.881 0.952 0.714 CB 1.409 22 residues pruned to eliminate duplicates Z: 25 14.356 1.682 0.338 0.499 0.917 0.667 CB 1.421 25 residues pruned to eliminate duplicates Z: 77 42.421 2.015 0.736 0.603 0.947 0.645 CB 1.332 77 residues pruned to eliminate duplicates Z: 15 18.555 1.813 0.633 0.826 1.000 0.786 CA 1.263 15 residues pruned to eliminate duplicates Z: 12 17.298 1.893 0.693 0.821 1.000 0.909 CA 1.232 12 residues pruned to eliminate duplicates Z: 36 19.861 1.830 0.538 0.580 0.943 0.714 CB 1.172 30 residues pruned to eliminate duplicates Z: 11 9.334 1.817 0.610 0.869 0.800 0.600 CB 0.921 11 residues pruned to eliminate duplicates Z: 7 11.373 1.824 0.581 0.875 1.000 0.833 CA 1.171 7 residues pruned to eliminate duplicates Z: 33 14.897 1.862 0.419 0.362 0.875 0.625 CB 1.322 33 residues pruned to eliminate duplicates Z: 13 19.116 1.852 1.087 0.871 0.833 0.500 CB 1.250 13 residues pruned to eliminate duplicates Z: 9 13.388 1.960 0.456 0.718 1.000 0.625 CA 1.361 9 residues pruned to eliminate duplicates Z: 45 27.323 1.978 0.733 0.556 0.841 0.614 CB 1.354 45 residues pruned to eliminate duplicates Z: 13 16.881 1.651 0.884 0.843 0.917 0.750 CA 1.272 13 residues pruned to eliminate duplicates Z: 19 9.358 1.628 0.264 0.523 0.889 0.611 CB 1.179 19 residues pruned to eliminate duplicates Z: 11 10.329 1.891 0.216 0.524 1.000 0.700 CA 1.387 11 residues pruned to eliminate duplicates Z: 11 5.812 1.757 0.539 0.258 0.800 0.400 CB 1.121 10 residues pruned to eliminate duplicates Z: 16 26.169 1.906 0.927 0.862 1.000 0.733 CA 1.351 16 residues pruned to eliminate duplicates Z: 21 14.212 1.724 0.757 0.479 0.900 0.600 CB 1.190 21 residues pruned to eliminate duplicates Z: 9 22.870 2.046 1.293 0.907 1.000 0.750 CB 1.226 9 residues pruned to eliminate duplicates Z: 43 39.566 2.067 1.090 0.535 0.952 0.643 CB 1.434 44 residues pruned to eliminate duplicates Z: 11 5.367 1.592 0.350 0.332 1.000 0.400 N 0.950 Z: 7 7.894 1.822 0.632 0.600 0.833 0.667 N 1.182 Z: 11 9.813 1.777 0.365 0.650 0.900 0.500 CB 1.236 11 residues pruned to eliminate duplicates Z: 13 16.949 1.810 0.711 0.865 0.917 0.583 CB 1.262 13 residues pruned to eliminate duplicates Z: 40 31.288 2.025 0.845 0.506 0.897 0.538 CB 1.486 40 residues pruned to eliminate duplicates Z: 37 24.700 1.940 0.594 0.563 0.944 0.639 CB 1.326 36 residues pruned to eliminate duplicates Z: 7 3.690 1.577 0.235 0.368 0.833 0.667 CB 1.069 Z: 26 22.293 2.038 0.785 0.575 0.960 0.520 CB 1.187 26 residues pruned to eliminate duplicates Z: 45 21.352 1.859 0.505 0.516 0.864 0.500 CB 1.312 44 residues pruned to eliminate duplicates Z: 8 3.690 1.720 0.601 0.896 1.000 0.714 CB 0.363 Z: 11 8.666 1.481 0.248 0.886 1.000 0.900 CA 1.070 11 residues pruned to eliminate duplicates Z: 6 3.648 1.485 -0.003 0.723 1.000 0.600 CB 0.901 Z: 11 11.680 1.926 0.797 0.448 0.900 0.600 CA 1.251 11 residues pruned to eliminate duplicates Z: 37 19.978 1.904 0.453 0.458 0.944 0.556 CB 1.330 37 residues pruned to eliminate duplicates Z: 26 31.096 2.035 0.862 0.602 0.960 0.800 CA 1.551 26 residues pruned to eliminate duplicates Z: 15 19.780 1.744 0.736 0.843 1.000 0.786 CA 1.301 15 residues pruned to eliminate duplicates Z: 6 3.198 1.516 0.001 0.596 0.800 0.800 O 1.075 Z: 30 13.463 1.850 0.582 0.384 0.862 0.483 CB 1.121 30 residues pruned to eliminate duplicates Z: 40 30.290 1.978 0.676 0.599 0.923 0.744 CB 1.443 40 residues pruned to eliminate duplicates Z: 15 21.827 2.044 0.501 0.778 1.000 0.571 CA 1.488 15 residues pruned to eliminate duplicates Z: 23 36.049 2.036 0.963 0.880 1.000 0.636 CA 1.394 23 residues pruned to eliminate duplicates Z: 28 15.381 1.803 0.214 0.697 0.963 0.667 CA 1.173 28 residues pruned to eliminate duplicates Z: 15 23.400 1.965 1.080 0.886 0.857 0.357 CB 1.289 15 residues pruned to eliminate duplicates Z: 8 8.923 1.625 0.468 0.790 0.857 0.571 CA 1.279 8 residues pruned to eliminate duplicates Z: 43 22.448 1.919 0.629 0.518 0.857 0.667 CB 1.271 43 residues pruned to eliminate duplicates Z: 23 25.429 1.997 0.725 0.679 0.909 0.773 CB 1.468 23 residues pruned to eliminate duplicates Z: 36 29.216 1.928 0.816 0.520 0.914 0.600 CB 1.514 35 residues pruned to eliminate duplicates Z: 10 4.853 1.407 0.583 0.297 0.778 0.444 CA 1.173 Z: 13 29.969 2.039 1.072 0.910 1.000 0.833 CA 1.453 13 residues pruned to eliminate duplicates Z: 10 10.251 1.795 0.391 0.868 1.000 0.889 CB 1.001 10 residues pruned to eliminate duplicates Z: 9 8.071 1.513 0.650 0.864 0.875 0.500 CB 0.958 9 residues pruned to eliminate duplicates Z: 24 21.577 1.926 0.401 0.859 1.000 0.913 CA 1.227 24 residues pruned to eliminate duplicates Z: 7 9.003 1.617 0.523 0.652 1.000 0.333 CA 1.296 7 residues pruned to eliminate duplicates Z: 6 2.859 1.653 -0.118 0.557 1.000 0.400 CB 0.829 Z: 15 15.767 1.962 0.941 0.542 0.786 0.571 CB 1.352 15 residues pruned to eliminate duplicates Z: 7 2.583 1.602 0.122 0.484 0.833 0.500 CB 0.715 Z: 7 6.176 1.712 0.104 0.889 1.000 1.000 CB 0.960 7 residues pruned to eliminate duplicates Z: 14 9.705 1.880 0.381 0.583 0.846 0.615 CB 1.131 14 residues pruned to eliminate duplicates Z: 6 6.970 1.519 0.522 0.815 1.000 0.600 CA 1.026 6 residues pruned to eliminate duplicates Z: 12 12.291 1.468 0.796 0.838 0.909 0.636 CB 1.156 12 residues pruned to eliminate duplicates Z: 7 4.165 1.586 0.116 0.611 1.000 1.000 CA 0.865 Z: 13 3.211 1.539 0.291 0.242 0.500 0.250 N 1.257 Z: 10 4.946 1.638 0.339 0.252 0.778 0.556 CB 1.286 7 residues pruned to eliminate duplicates Z: 14 12.229 1.643 0.536 0.712 0.923 0.692 CB 1.201 14 residues pruned to eliminate duplicates Z: 10 10.195 1.694 0.389 0.821 0.889 0.778 CB 1.231 15 residues pruned to eliminate duplicates Z: 7 3.376 1.761 -0.374 0.576 1.000 0.500 CB 1.161 Z: 23 26.420 1.956 0.696 0.873 1.000 0.773 CA 1.237 23 residues pruned to eliminate duplicates 7 1.131 1.458 0.203 0.291 0.833 0.333 CB 0.399 ? Z: 6 5.784 1.649 0.892 0.409 0.800 0.400 CB 1.140 5 residues pruned to eliminate duplicates Z: 23 19.512 1.872 0.423 0.835 0.818 0.682 CA 1.430 23 residues pruned to eliminate duplicates 6 1.507 1.565 -0.037 0.446 0.600 0.400 CB 0.788 ? Z: 29 28.214 2.040 0.866 0.528 0.893 0.679 CA 1.526 29 residues pruned to eliminate duplicates Z: 12 8.256 1.514 0.391 0.677 1.000 0.545 CB 1.005 12 residues pruned to eliminate duplicates Z: 7 6.016 1.693 0.450 0.612 1.000 0.833 CB 0.900 Z: 17 17.216 1.789 0.830 0.485 1.000 0.438 CA 1.335 18 residues pruned to eliminate duplicates 6 1.596 1.255 0.566 0.444 0.600 0.400 O 0.641 ? Z: 55 31.418 1.967 0.758 0.595 0.926 0.611 CB 1.219 55 residues pruned to eliminate duplicates Z: 40 31.821 2.055 0.805 0.576 0.949 0.641 CA 1.347 40 residues pruned to eliminate duplicates Z: 10 5.489 1.561 0.500 0.357 1.000 0.556 N 0.912 Z: 24 31.128 1.879 1.083 0.863 1.000 0.565 CA 1.216 24 residues pruned to eliminate duplicates Z: 12 4.135 1.568 0.334 0.308 0.909 0.455 CB 0.812 Z: 7 5.780 1.978 -0.146 0.693 1.000 0.667 CB 1.172 7 residues pruned to eliminate duplicates Z: 43 31.015 2.108 0.752 0.457 0.881 0.500 CB 1.536 43 residues pruned to eliminate duplicates Z: 46 30.658 1.974 0.552 0.608 1.000 0.756 CB 1.347 46 residues pruned to eliminate duplicates Z: 32 29.650 2.148 0.736 0.562 0.935 0.419 CB 1.438 32 residues pruned to eliminate duplicates Z: 17 12.716 1.889 0.680 0.353 0.812 0.562 CB 1.445 17 residues pruned to eliminate duplicates Z: 12 27.810 1.973 1.271 0.879 1.000 0.909 CA 1.357 12 residues pruned to eliminate duplicates Z: 39 27.835 1.966 0.617 0.615 0.921 0.579 CB 1.383 39 residues pruned to eliminate duplicates Z: 40 32.115 2.082 0.982 0.486 0.897 0.487 CB 1.408 40 residues pruned to eliminate duplicates Z: 41 30.543 1.934 0.858 0.509 0.950 0.400 CB 1.402 40 residues pruned to eliminate duplicates Z: 23 29.409 2.042 0.782 0.852 1.000 0.773 CA 1.275 23 residues pruned to eliminate duplicates Z: 11 25.389 2.043 1.025 0.901 1.000 0.900 CB 1.385 11 residues pruned to eliminate duplicates Z: 9 10.384 2.023 0.302 0.684 1.000 0.750 CB 1.177 9 residues pruned to eliminate duplicates Z: 11 6.498 1.622 0.151 0.665 0.800 0.700 CB 1.181 5 residues pruned to eliminate duplicates Z: 40 40.055 2.118 0.897 0.528 1.000 0.590 CA 1.554 40 residues pruned to eliminate duplicates Z: 9 12.732 1.909 0.751 0.541 0.875 0.875 CA 1.478 8 residues pruned to eliminate duplicates Z: 7 11.825 1.847 0.501 0.731 1.000 0.667 CB 1.414 Z: 6 7.056 1.664 0.435 0.741 1.000 0.800 CB 1.065 Z: 13 13.452 1.682 0.495 0.770 0.917 0.833 CA 1.326 13 residues pruned to eliminate duplicates Z: 11 9.269 1.830 0.465 0.525 0.900 0.700 CB 1.185 11 residues pruned to eliminate duplicates Z: 6 3.024 1.363 0.440 0.464 0.800 0.600 CB 0.893 Z: 10 9.569 1.827 0.360 0.843 0.889 0.889 CA 1.075 10 residues pruned to eliminate duplicates Z: 9 4.082 1.760 0.089 0.260 0.750 0.375 CB 1.322 Z: 9 2.419 1.379 0.341 0.236 0.625 0.250 N 1.006 Z: 6 4.847 1.454 0.752 0.580 0.800 0.600 CB 0.985 Z: 12 18.831 1.924 0.718 0.902 1.000 1.000 CB 1.225 12 residues pruned to eliminate duplicates Z: 17 12.588 1.887 0.648 0.456 0.938 0.688 CB 1.129 17 residues pruned to eliminate duplicates Z: 10 8.430 1.619 0.758 0.480 0.889 0.556 CB 1.134 10 residues pruned to eliminate duplicates Z: 13 9.828 1.549 0.725 0.843 0.833 0.333 CB 0.949 13 residues pruned to eliminate duplicates Z: 7 3.985 1.628 0.034 0.485 1.000 0.500 CA 0.982 Z: 7 9.043 1.682 0.437 0.741 1.000 0.500 CA 1.231 Z: 41 34.235 2.060 0.968 0.504 0.975 0.375 CB 1.364 41 residues pruned to eliminate duplicates Z: 13 10.402 1.763 0.453 0.530 0.917 0.750 CB 1.241 13 residues pruned to eliminate duplicates Z: 38 21.066 1.912 0.718 0.421 0.865 0.459 CB 1.324 38 residues pruned to eliminate duplicates Z: 22 16.585 1.946 0.439 0.497 0.952 0.667 CB 1.361 22 residues pruned to eliminate duplicates Z: 50 25.478 1.841 0.569 0.666 0.939 0.612 CB 1.151 55 residues pruned to eliminate duplicates Z: 37 20.247 1.819 0.477 0.554 0.917 0.750 CB 1.300 37 residues pruned to eliminate duplicates Z: 43 23.128 1.886 0.548 0.621 0.857 0.571 CB 1.273 43 residues pruned to eliminate duplicates Z: 13 12.873 1.770 0.449 0.891 1.000 1.000 CB 1.041 13 residues pruned to eliminate duplicates Z: 7 6.040 1.831 -0.054 0.580 1.000 0.833 CB 1.319 7 residues pruned to eliminate duplicates Z: 44 30.321 1.966 0.683 0.544 0.907 0.581 CB 1.476 44 residues pruned to eliminate duplicates Z: 6 4.085 1.863 0.153 0.364 1.000 0.400 CB 0.984 6 residues pruned to eliminate duplicates Z: 9 4.819 1.644 0.306 0.544 0.750 0.625 N 1.014 9 residues pruned to eliminate duplicates Z: 10 17.865 1.946 0.758 0.885 0.889 0.778 CA 1.414 10 residues pruned to eliminate duplicates Z: 24 31.084 1.991 0.820 0.864 0.957 0.826 CA 1.371 24 residues pruned to eliminate duplicates Z: 25 14.805 1.789 0.666 0.407 0.833 0.542 CB 1.341 25 residues pruned to eliminate duplicates Z: 21 8.697 1.756 0.676 0.286 0.750 0.350 CB 1.121 19 residues pruned to eliminate duplicates Z: 8 10.906 1.747 0.491 0.711 1.000 0.714 CB 1.308 8 residues pruned to eliminate duplicates Z: 17 19.950 1.899 0.815 0.654 0.875 0.562 CB 1.433 17 residues pruned to eliminate duplicates Z: 56 26.008 1.817 0.519 0.572 0.945 0.509 CB 1.253 56 residues pruned to eliminate duplicates Z: 47 31.969 1.971 0.741 0.568 0.957 0.652 CB 1.345 50 residues pruned to eliminate duplicates Z: 22 30.125 2.036 0.588 0.897 1.000 0.714 CB 1.455 22 residues pruned to eliminate duplicates Z: 6 4.241 1.555 0.154 0.525 0.800 0.600 CB 1.289 6 residues pruned to eliminate duplicates Z: 9 9.042 1.787 0.119 0.879 1.000 0.750 CB 1.159 9 residues pruned to eliminate duplicates Z: 7 7.354 1.737 0.229 0.883 1.000 1.000 CB 1.017 7 residues pruned to eliminate duplicates Z: 13 13.184 1.807 0.503 0.604 1.000 0.667 CB 1.269 13 residues pruned to eliminate duplicates Z: 6 10.155 1.703 0.507 0.824 1.000 0.800 O 1.337 Z: 37 28.604 1.926 0.723 0.581 0.972 0.694 CB 1.366 39 residues pruned to eliminate duplicates Z: 14 14.087 1.920 0.501 0.623 0.846 0.692 CB 1.427 14 residues pruned to eliminate duplicates Z: 37 22.611 1.911 0.629 0.517 0.944 0.472 CB 1.260 37 residues pruned to eliminate duplicates Z: 10 10.512 1.571 0.398 0.886 1.000 0.778 CA 1.151 10 residues pruned to eliminate duplicates Z: 10 21.686 2.090 1.270 0.860 1.000 0.333 CB 1.120 10 residues pruned to eliminate duplicates Z: 28 17.103 1.874 0.439 0.564 0.926 0.630 CB 1.239 28 residues pruned to eliminate duplicates Z: 8 8.651 1.742 0.061 0.904 1.000 1.000 CB 1.261 8 residues pruned to eliminate duplicates Z: 19 6.665 1.770 0.052 0.474 0.833 0.444 CB 1.040 19 residues pruned to eliminate duplicates Z: 13 27.252 2.029 1.228 0.815 1.000 0.667 CA 1.323 13 residues pruned to eliminate duplicates Z: 6 3.377 1.481 0.516 0.437 0.600 0.400 CA 1.196 13 residues pruned to eliminate duplicates Z: 17 12.143 1.972 0.305 0.453 0.938 0.500 CB 1.320 17 residues pruned to eliminate duplicates Z: 15 22.696 1.958 1.090 0.715 1.000 0.643 CB 1.220 15 residues pruned to eliminate duplicates Z: 6 3.080 1.501 0.351 0.286 0.800 0.600 C 1.080 Z: 16 5.835 1.767 0.323 0.255 0.800 0.600 CB 1.067 16 residues pruned to eliminate duplicates Z: 30 22.457 1.962 0.458 0.651 0.931 0.724 CA 1.360 30 residues pruned to eliminate duplicates Z: 9 6.186 1.376 0.713 0.683 0.875 0.625 CB 0.897 9 residues pruned to eliminate duplicates Z: 17 9.658 1.838 0.658 0.431 0.875 0.750 CB 0.972 17 residues pruned to eliminate duplicates Z: 38 20.724 1.888 0.512 0.496 0.892 0.568 CB 1.343 38 residues pruned to eliminate duplicates Z: 7 4.474 1.478 0.612 0.338 0.833 0.333 CA 1.098 Z: 35 15.356 1.775 0.484 0.434 0.824 0.500 CB 1.300 35 residues pruned to eliminate duplicates 6 1.847 1.377 0.384 0.297 0.600 0.400 N 0.907 ? Z: 7 5.109 1.708 0.202 0.403 1.000 0.500 CB 1.126 7 residues pruned to eliminate duplicates Z: 22 26.316 1.974 0.554 0.856 0.952 0.857 CA 1.450 22 residues pruned to eliminate duplicates Z: 12 14.754 1.920 0.526 0.847 0.909 0.455 CB 1.240 12 residues pruned to eliminate duplicates Z: 12 8.343 1.546 0.140 0.832 1.000 0.727 CA 1.072 12 residues pruned to eliminate duplicates Z: 39 22.386 1.839 0.512 0.577 0.921 0.526 CB 1.316 36 residues pruned to eliminate duplicates Z: 11 9.364 1.782 0.611 0.402 0.900 0.400 CB 1.271 Z: 37 25.106 1.970 0.571 0.501 0.944 0.639 CA 1.430 37 residues pruned to eliminate duplicates Z: 8 9.715 1.596 0.644 0.863 0.857 0.857 CA 1.198 8 residues pruned to eliminate duplicates Z: 10 7.575 1.634 0.390 0.838 0.889 0.667 CA 0.934 10 residues pruned to eliminate duplicates Z: 21 30.716 2.018 0.966 0.868 1.000 0.500 CA 1.266 21 residues pruned to eliminate duplicates Z: 24 24.103 1.922 0.563 0.836 0.957 0.739 CB 1.309 24 residues pruned to eliminate duplicates Z: 8 10.179 1.805 0.263 0.790 1.000 0.857 CB 1.308 8 residues pruned to eliminate duplicates Z: 11 7.549 1.569 0.252 0.764 0.900 0.700 N 1.069 11 residues pruned to eliminate duplicates Z: 46 19.940 1.864 0.454 0.522 0.911 0.622 CB 1.179 46 residues pruned to eliminate duplicates Z: 12 8.073 1.685 0.589 0.415 0.909 0.364 CA 1.092 12 residues pruned to eliminate duplicates Z: 11 20.379 1.903 0.988 0.929 1.000 1.000 CB 1.192 11 residues pruned to eliminate duplicates Z: 8 5.605 1.600 0.286 0.858 1.000 0.571 CB 0.758 8 residues pruned to eliminate duplicates Z: 7 6.016 1.778 0.330 0.434 0.833 0.500 CA 1.334 8 residues pruned to eliminate duplicates Z: 7 6.729 1.841 0.865 0.391 0.667 0.667 CA 1.347 7 residues pruned to eliminate duplicates Z: 6 5.040 1.692 0.439 0.489 0.800 0.800 N 1.170 6 residues pruned to eliminate duplicates Z: 22 18.287 1.995 0.646 0.409 1.000 0.333 CB 1.337 19 residues pruned to eliminate duplicates Z: 10 12.966 1.747 0.721 0.692 1.000 0.778 CA 1.205 10 residues pruned to eliminate duplicates Z: 42 28.491 1.981 0.625 0.609 0.878 0.659 CB 1.419 42 residues pruned to eliminate duplicates Z: 23 28.164 1.979 0.679 0.829 0.909 0.682 CB 1.496 23 residues pruned to eliminate duplicates Z: 6 2.330 1.261 0.397 0.381 0.800 0.600 CB 0.840 Z: 12 20.789 1.882 0.935 0.936 1.000 0.909 CB 1.199 11 residues pruned to eliminate duplicates 6 1.664 1.597 0.085 0.476 1.000 0.600 CB 0.440 ? Z: 8 4.437 1.419 0.781 0.224 0.857 0.286 N 1.069 Z: 13 15.264 1.707 0.501 0.846 1.000 0.833 CB 1.277 13 residues pruned to eliminate duplicates Z: 12 5.356 1.820 0.473 0.240 0.636 0.182 CB 1.280 12 residues pruned to eliminate duplicates Z: 9 6.562 1.772 0.653 0.386 0.625 0.500 CA 1.430 9 residues pruned to eliminate duplicates Z: 36 22.061 1.837 0.670 0.560 0.914 0.600 CB 1.254 36 residues pruned to eliminate duplicates Z: 6 5.312 1.565 0.571 0.598 1.000 0.800 N 0.880 Z: 7 6.523 1.733 0.595 0.814 0.667 0.333 CB 1.099 7 residues pruned to eliminate duplicates Z: 16 8.558 1.509 0.537 0.704 0.867 0.733 CB 0.913 14 residues pruned to eliminate duplicates Z: 7 4.206 1.693 0.046 0.601 0.833 0.667 CB 1.057 Z: 13 10.302 1.917 0.174 0.808 0.917 0.833 CB 1.102 13 residues pruned to eliminate duplicates Z: 17 17.804 1.934 0.873 0.398 0.938 0.500 CB 1.459 17 residues pruned to eliminate duplicates Z: 8 12.449 1.735 0.683 0.910 1.000 1.000 CB 1.143 8 residues pruned to eliminate duplicates Z: 10 7.609 1.499 0.722 0.539 1.000 0.556 CB 0.946 Z: 6 6.860 1.528 0.594 0.743 1.000 0.800 CA 1.013 Z: 17 11.816 1.884 0.642 0.396 0.875 0.625 CB 1.218 17 residues pruned to eliminate duplicates Z: 11 5.895 1.844 0.118 0.330 0.900 0.600 CB 1.210 11 residues pruned to eliminate duplicates Z: 12 13.374 1.730 0.756 0.904 1.000 0.727 CB 0.946 12 residues pruned to eliminate duplicates Z: 15 6.859 1.659 0.492 0.399 0.714 0.571 CB 1.153 15 residues pruned to eliminate duplicates Z: 6 11.060 1.803 0.817 0.711 1.000 0.800 CB 1.246 6 residues pruned to eliminate duplicates Z: 11 6.195 1.651 0.236 0.662 0.700 0.300 CA 1.181 11 residues pruned to eliminate duplicates Z: 14 6.402 1.604 0.588 0.468 0.846 0.615 CB 0.851 14 residues pruned to eliminate duplicates Z: 7 6.417 1.548 0.326 0.721 1.000 0.500 CB 1.045 6 residues pruned to eliminate duplicates Z: 41 17.012 1.901 0.400 0.443 0.900 0.650 CB 1.192 41 residues pruned to eliminate duplicates Z: 52 26.274 1.948 0.731 0.551 0.902 0.627 CB 1.152 55 residues pruned to eliminate duplicates Z: 8 4.919 1.434 0.425 0.499 0.857 0.286 CB 1.062 Z: 8 6.163 1.594 0.228 0.501 1.000 0.571 O 1.188 Z: 10 3.967 1.366 0.361 0.409 0.778 0.444 N 1.006 4 residues pruned to eliminate duplicates Z: 10 11.890 1.680 0.514 0.886 1.000 0.667 CB 1.125 10 residues pruned to eliminate duplicates Z: 7 4.235 1.792 0.435 0.842 0.667 0.667 CB 0.751 7 residues pruned to eliminate duplicates Z: 28 14.989 1.813 0.425 0.454 0.926 0.630 CB 1.265 28 residues pruned to eliminate duplicates Z: 7 4.451 1.628 0.577 0.332 0.667 0.667 O 1.277 Z: 12 12.161 1.771 0.811 0.465 1.000 0.636 CA 1.185 12 residues pruned to eliminate duplicates Z: 24 18.944 1.988 0.793 0.422 0.957 0.304 CB 1.256 24 residues pruned to eliminate duplicates Z: 39 18.099 1.856 0.526 0.458 0.842 0.447 CB 1.285 89 residues pruned to eliminate duplicates Z: 6 3.372 1.444 0.246 0.426 0.800 0.400 N 1.131 6 residues pruned to eliminate duplicates Z: 6 2.831 1.458 -0.180 0.554 0.800 0.600 CA 1.255 6 residues pruned to eliminate duplicates Z: 39 24.382 1.934 0.828 0.460 0.842 0.553 CB 1.384 39 residues pruned to eliminate duplicates Z: 6 2.336 1.409 0.417 0.412 0.800 0.400 CB 0.717 Z: 12 23.606 1.880 0.983 0.916 1.000 1.000 CA 1.349 12 residues pruned to eliminate duplicates Z: 7 2.322 1.576 0.209 0.436 0.833 0.667 CB 0.638 7 residues pruned to eliminate duplicates Z: 11 9.732 1.682 0.494 0.725 1.000 0.800 CA 0.999 11 residues pruned to eliminate duplicates Z: 19 15.050 1.778 0.638 0.473 0.944 0.778 CB 1.325 26 residues pruned to eliminate duplicates Z: 10 10.383 1.846 0.640 0.469 1.000 0.667 CB 1.180 13 residues pruned to eliminate duplicates Z: 39 13.812 1.859 0.342 0.343 0.842 0.553 CB 1.265 35 residues pruned to eliminate duplicates Z: 25 17.020 1.907 0.530 0.615 0.875 0.583 CB 1.221 25 residues pruned to eliminate duplicates Z: 7 6.159 1.582 0.405 0.644 1.000 1.000 CA 0.988 7 residues pruned to eliminate duplicates Z: 11 6.559 1.736 0.360 0.287 0.800 0.600 CB 1.396 14 residues pruned to eliminate duplicates Z: 6 2.076 1.352 0.472 0.490 0.800 0.200 CB 0.589 Z: 8 3.924 1.735 0.524 0.205 0.571 0.286 CB 1.392 8 residues pruned to eliminate duplicates Z: 10 2.744 1.275 0.413 0.266 0.778 0.444 CB 0.853 Z: 12 21.761 1.800 0.655 0.912 1.000 1.000 N 1.560 12 residues pruned to eliminate duplicates Z: 6 3.574 1.388 0.383 0.718 0.800 0.400 CB 0.854 6 residues pruned to eliminate duplicates Z: 7 3.130 1.661 0.058 0.431 0.667 0.333 N 1.173 Z: 7 7.409 1.684 0.282 0.888 1.000 0.833 CB 1.010 7 residues pruned to eliminate duplicates Z: 7 6.668 1.554 0.415 0.681 0.833 0.667 CA 1.258 7 residues pruned to eliminate duplicates Z: 16 19.155 1.872 0.696 0.550 1.000 0.400 CB 1.484 17 residues pruned to eliminate duplicates Z: 12 24.267 1.869 1.055 0.926 1.000 0.727 CB 1.336 12 residues pruned to eliminate duplicates Z: 6 5.456 1.550 0.226 0.672 1.000 1.000 CB 1.095 5 residues pruned to eliminate duplicates Z: 14 11.172 1.801 0.839 0.399 0.846 0.462 CA 1.230 14 residues pruned to eliminate duplicates Z: 11 4.794 1.548 0.593 0.305 0.700 0.400 CB 1.092 Z: 28 23.988 1.977 0.663 0.694 1.000 0.815 CA 1.176 28 residues pruned to eliminate duplicates Z: 8 12.338 1.723 0.634 0.880 1.000 0.857 CB 1.200 8 residues pruned to eliminate duplicates Z: 14 4.922 1.645 0.542 0.208 0.769 0.385 CB 0.988 14 residues pruned to eliminate duplicates Z: 9 7.830 1.672 0.034 0.882 1.000 0.875 CB 1.159 9 residues pruned to eliminate duplicates Z: 6 4.383 1.684 -0.082 0.706 0.800 0.600 CB 1.315 Z: 8 7.349 1.633 0.481 0.561 1.000 0.857 CB 1.083 Z: 22 19.118 1.820 0.738 0.569 0.857 0.333 CB 1.439 22 residues pruned to eliminate duplicates Z: 12 13.703 1.744 0.189 0.850 1.000 0.909 CB 1.475 12 residues pruned to eliminate duplicates Z: 6 4.475 1.555 0.725 0.449 0.600 0.600 CB 1.310 6 residues pruned to eliminate duplicates Z: 28 21.900 1.955 0.763 0.525 0.889 0.593 CB 1.342 28 residues pruned to eliminate duplicates Z: 8 3.033 1.637 -0.095 0.432 0.714 0.429 CB 1.162 Z: 21 18.299 1.885 0.450 0.563 0.950 0.700 CB 1.483 21 residues pruned to eliminate duplicates Z: 6 3.406 1.389 0.598 0.338 0.800 0.400 N 1.025 Z: 9 9.379 1.905 0.607 0.754 1.000 0.875 CA 0.864 9 residues pruned to eliminate duplicates Z: 21 21.390 1.974 0.304 0.887 1.000 0.950 CA 1.339 21 residues pruned to eliminate duplicates Z: 13 18.538 1.836 0.667 0.940 1.000 0.917 CB 1.214 13 residues pruned to eliminate duplicates Z: 19 24.353 2.042 1.182 0.577 0.833 0.500 CA 1.435 19 residues pruned to eliminate duplicates Z: 23 26.697 1.991 0.480 0.849 1.000 0.727 CA 1.431 23 residues pruned to eliminate duplicates Z: 11 15.322 2.076 0.542 0.858 1.000 1.000 CA 1.114 11 residues pruned to eliminate duplicates Z: 13 8.999 1.895 0.358 0.586 0.833 0.667 CA 1.115 13 residues pruned to eliminate duplicates Z: 43 19.040 1.884 0.636 0.395 0.905 0.595 CB 1.177 43 residues pruned to eliminate duplicates Z: 8 3.893 1.531 0.159 0.372 0.857 0.571 CB 1.109 Z: 12 12.972 1.896 0.242 0.911 1.000 1.000 CA 1.177 12 residues pruned to eliminate duplicates Z: 8 4.727 1.532 0.864 0.482 0.714 0.571 CB 0.892 Z: 8 7.160 1.712 0.047 0.700 1.000 0.714 CA 1.260 8 residues pruned to eliminate duplicates Z: 13 25.003 1.959 1.111 0.878 1.000 0.583 CB 1.266 13 residues pruned to eliminate duplicates Z: 9 8.514 1.811 0.129 0.743 0.875 0.750 N 1.353 9 residues pruned to eliminate duplicates Z: 12 13.756 1.728 0.793 0.906 0.909 0.455 CB 1.047 12 residues pruned to eliminate duplicates Z: 12 14.899 1.895 0.450 0.893 1.000 0.909 CB 1.174 12 residues pruned to eliminate duplicates Z: 9 2.305 1.261 0.173 0.284 0.875 0.500 N 0.803 Z: 12 15.334 1.919 0.542 0.842 1.000 0.636 CA 1.164 12 residues pruned to eliminate duplicates Z: 27 12.081 1.783 0.397 0.421 0.846 0.577 CB 1.221 Z: 8 3.000 1.378 0.019 0.372 0.857 0.571 N 1.079 Z: 8 2.437 1.231 0.452 0.334 0.714 0.429 CA 0.864 Z: 6 2.924 1.509 0.313 0.293 0.800 0.600 CB 1.040 Z: 56 26.164 1.878 0.653 0.535 0.909 0.582 CB 1.208 56 residues pruned to eliminate duplicates Z: 30 28.125 1.956 0.657 0.712 0.966 0.724 CB 1.377 30 residues pruned to eliminate duplicates Z: 10 3.445 1.373 0.090 0.365 0.889 0.556 CB 0.997 Z: 49 29.007 1.972 0.668 0.578 0.938 0.646 CB 1.259 48 residues pruned to eliminate duplicates Z: 22 18.473 1.771 0.872 0.538 0.952 0.571 CB 1.230 22 residues pruned to eliminate duplicates Z: 23 27.807 1.972 0.735 0.888 0.955 0.682 CB 1.308 23 residues pruned to eliminate duplicates Z: 7 7.018 1.566 0.614 0.754 0.833 0.667 CA 1.084 7 residues pruned to eliminate duplicates Z: 18 8.105 1.885 0.230 0.408 0.824 0.471 CB 1.134 18 residues pruned to eliminate duplicates Z: 6 6.020 1.722 0.492 0.457 0.800 0.800 CA 1.368 Z: 22 28.370 2.143 0.679 0.659 1.000 0.810 CA 1.486 22 residues pruned to eliminate duplicates Z: 15 17.943 1.860 0.705 0.531 1.000 0.643 CA 1.467 15 residues pruned to eliminate duplicates Z: 22 24.312 1.952 0.356 0.888 1.000 0.952 CB 1.445 22 residues pruned to eliminate duplicates Z: 6 7.813 1.638 0.431 0.708 1.000 1.000 CB 1.234 Z: 12 8.744 1.790 0.545 0.511 0.727 0.273 CB 1.297 12 residues pruned to eliminate duplicates Z: 40 34.130 2.029 1.004 0.503 0.923 0.513 CB 1.452 42 residues pruned to eliminate duplicates Z: 17 8.825 1.770 0.376 0.491 0.812 0.625 CB 1.125 17 residues pruned to eliminate duplicates Z: 10 14.615 2.077 0.885 0.511 0.889 0.667 CB 1.384 10 residues pruned to eliminate duplicates Z: 22 25.761 1.894 0.697 0.861 0.952 0.667 CB 1.350 22 residues pruned to eliminate duplicates Z: 23 20.317 1.953 0.637 0.715 0.955 0.773 CB 1.169 23 residues pruned to eliminate duplicates Z: 7 2.559 1.649 0.135 0.365 0.833 0.500 CB 0.774 7 residues pruned to eliminate duplicates Z: 11 3.976 1.499 0.351 0.440 0.700 0.400 CB 0.943 Z: 41 26.909 1.987 0.705 0.497 0.900 0.675 CA 1.399 41 residues pruned to eliminate duplicates Z: 15 10.968 1.904 0.239 0.486 0.929 0.571 CB 1.358 15 residues pruned to eliminate duplicates Z: 50 25.695 1.910 0.533 0.587 0.898 0.592 CB 1.284 50 residues pruned to eliminate duplicates Z: 6 7.816 2.062 0.272 0.601 1.000 0.800 CA 1.211 6 residues pruned to eliminate duplicates Z: 27 30.131 1.974 0.830 0.752 0.962 0.692 CA 1.358 27 residues pruned to eliminate duplicates Z: 6 2.468 1.385 0.502 0.601 0.800 0.600 CB 0.603 Z: 12 14.119 1.618 0.966 0.846 0.818 0.636 CB 1.215 12 residues pruned to eliminate duplicates Z: 22 26.122 2.019 0.665 0.880 1.000 0.762 CA 1.229 22 residues pruned to eliminate duplicates Z: 33 22.473 1.895 0.492 0.541 0.969 0.688 CB 1.393 33 residues pruned to eliminate duplicates Z: 7 6.480 1.701 0.268 0.538 1.000 0.833 CB 1.182 6 residues pruned to eliminate duplicates Z: 43 25.293 1.893 0.649 0.487 0.905 0.548 CB 1.400 43 residues pruned to eliminate duplicates Z: 9 3.364 1.545 0.085 0.293 0.875 0.625 CB 1.023 Z: 41 29.428 1.992 0.627 0.592 0.925 0.725 CB 1.421 41 residues pruned to eliminate duplicates Z: 10 9.073 1.679 0.119 0.894 1.000 0.778 CB 1.154 10 residues pruned to eliminate duplicates Z: 32 15.741 1.727 0.558 0.514 0.903 0.581 CB 1.147 32 residues pruned to eliminate duplicates Z: 6 3.882 1.708 0.473 0.332 1.000 0.600 CB 0.829 Z: 41 20.924 1.890 0.639 0.442 0.925 0.675 CB 1.226 44 residues pruned to eliminate duplicates Z: 11 7.876 1.589 0.122 0.843 1.000 0.900 CA 1.041 11 residues pruned to eliminate duplicates Z: 11 7.337 1.534 0.381 0.801 0.900 0.800 CB 0.935 11 residues pruned to eliminate duplicates Z: 19 7.462 1.791 0.416 0.265 0.722 0.278 CB 1.255 19 residues pruned to eliminate duplicates Z: 12 6.081 1.567 0.385 0.501 0.818 0.364 CB 1.031 12 residues pruned to eliminate duplicates Z: 6 5.291 1.523 0.919 0.648 0.800 0.800 N 0.882 Z: 16 6.762 1.763 0.455 0.476 0.733 0.267 CB 0.951 16 residues pruned to eliminate duplicates Z: 16 8.524 1.512 0.440 0.656 0.867 0.667 CB 1.009 16 residues pruned to eliminate duplicates Z: 8 7.353 1.724 0.979 0.807 0.714 0.429 CB 0.872 8 residues pruned to eliminate duplicates Z: 10 4.259 1.517 0.555 0.261 0.778 0.667 CB 1.017 10 residues pruned to eliminate duplicates Z: 6 3.965 1.614 -0.014 0.710 0.800 0.600 CB 1.151 Using tripeptides from previous cycle as seeds Z: 10 5.250 1.655 0.136 0.369 0.778 0.667 N 1.376 10 residues pruned to eliminate duplicates Z: 11 7.046 1.720 0.397 0.323 0.800 0.600 CA 1.408 31 residues pruned to eliminate duplicates Z: 8 7.822 1.874 0.299 0.454 0.857 0.857 CB 1.486 15 residues pruned to eliminate duplicates Z: 7 6.392 1.783 0.282 0.546 0.833 0.833 O 1.310 9 residues pruned to eliminate duplicates Z: 6 8.612 1.564 1.414 0.377 1.000 0.400 N 1.163 6 residues pruned to eliminate duplicates Z: 7 11.868 1.797 1.206 0.661 0.833 0.667 CA 1.263 7 residues pruned to eliminate duplicates Z: 6 7.938 1.802 0.636 0.461 1.000 0.400 CA 1.253 6 residues pruned to eliminate duplicates Z: 23 20.809 1.931 0.835 0.643 0.864 0.636 CB 1.269 23 residues pruned to eliminate duplicates Z: 22 20.901 2.015 0.793 0.637 0.810 0.667 CB 1.372 22 residues pruned to eliminate duplicates Z: 23 16.918 1.874 0.841 0.475 0.818 0.636 CB 1.310 23 residues pruned to eliminate duplicates Z: 25 24.646 1.992 0.731 0.600 0.958 0.750 CB 1.383 25 residues pruned to eliminate duplicates Z: 16 18.977 1.933 0.819 0.720 0.933 0.733 CB 1.223 16 residues pruned to eliminate duplicates Z: 14 17.675 1.981 0.851 0.766 0.923 0.692 CB 1.144 14 residues pruned to eliminate duplicates Z: 14 21.932 1.975 0.942 0.752 1.000 0.462 CB 1.268 14 residues pruned to eliminate duplicates Z: 16 18.257 1.908 0.783 0.697 1.000 0.800 CB 1.158 16 residues pruned to eliminate duplicates Z: 20 16.731 1.809 0.778 0.598 0.895 0.421 CB 1.215 20 residues pruned to eliminate duplicates Z: 22 17.060 1.792 1.023 0.535 0.857 0.571 CB 1.158 22 residues pruned to eliminate duplicates Z: 24 21.428 1.927 0.795 0.592 0.913 0.609 CB 1.295 24 residues pruned to eliminate duplicates Z: 15 21.206 1.925 0.963 0.692 0.929 0.714 CA 1.354 15 residues pruned to eliminate duplicates Z: 14 23.925 2.000 1.045 0.739 1.000 0.538 CB 1.309 14 residues pruned to eliminate duplicates Z: 11 25.374 1.998 1.163 0.835 1.000 0.800 CB 1.391 11 residues pruned to eliminate duplicates Z: 20 14.797 1.850 0.658 0.588 0.947 0.579 CB 1.073 20 residues pruned to eliminate duplicates Z: 24 21.077 1.907 0.638 0.590 0.957 0.652 CB 1.349 24 residues pruned to eliminate duplicates Z: 9 8.276 1.732 0.656 0.401 0.750 0.500 CA 1.508 9 residues pruned to eliminate duplicates Z: 9 7.441 1.843 0.844 0.304 0.750 0.375 CA 1.284 9 residues pruned to eliminate duplicates Z: 23 22.448 1.922 0.874 0.540 0.864 0.500 CB 1.479 26 residues pruned to eliminate duplicates Z: 7 2.957 1.740 0.538 0.385 0.833 0.167 CB 0.612 Z: 9 10.835 1.807 0.806 0.534 0.875 0.000 CA 1.297 9 residues pruned to eliminate duplicates Z: 15 16.906 1.964 1.085 0.453 0.857 0.500 CB 1.351 15 residues pruned to eliminate duplicates Z: 22 11.856 1.898 0.747 0.386 0.667 0.238 CB 1.320 22 residues pruned to eliminate duplicates Z: 38 31.869 2.060 0.812 0.532 0.919 0.405 CB 1.480 38 residues pruned to eliminate duplicates Z: 41 36.429 2.077 1.001 0.577 0.925 0.550 CB 1.391 41 residues pruned to eliminate duplicates Z: 41 38.194 2.119 0.968 0.573 0.900 0.575 CB 1.499 41 residues pruned to eliminate duplicates Z: 19 17.035 1.995 0.704 0.490 0.889 0.389 CB 1.343 19 residues pruned to eliminate duplicates Z: 40 41.494 2.092 0.940 0.588 0.974 0.641 CB 1.545 40 residues pruned to eliminate duplicates Z: 16 10.583 1.832 0.747 0.341 0.867 0.333 CB 1.171 16 residues pruned to eliminate duplicates Z: 20 18.649 2.027 0.777 0.443 0.895 0.421 CB 1.408 20 residues pruned to eliminate duplicates Z: 42 34.041 2.066 0.847 0.541 0.951 0.610 CB 1.407 42 residues pruned to eliminate duplicates Z: 42 38.258 2.106 0.876 0.564 0.927 0.610 CB 1.534 42 residues pruned to eliminate duplicates Z: 41 39.029 2.118 0.856 0.565 0.975 0.600 CB 1.512 41 residues pruned to eliminate duplicates Z: 21 14.117 1.956 0.662 0.343 0.950 0.350 CB 1.212 21 residues pruned to eliminate duplicates Z: 18 16.505 2.019 0.706 0.384 0.941 0.471 CB 1.396 18 residues pruned to eliminate duplicates Z: 33 35.847 2.091 1.069 0.560 0.906 0.625 CB 1.524 33 residues pruned to eliminate duplicates Z: 40 34.857 2.095 0.931 0.523 0.923 0.564 CB 1.461 40 residues pruned to eliminate duplicates Z: 28 35.268 2.124 1.071 0.572 0.926 0.704 CA 1.555 28 residues pruned to eliminate duplicates Z: 39 37.661 2.110 0.979 0.522 0.947 0.553 CB 1.512 39 residues pruned to eliminate duplicates Z: 40 34.259 2.096 1.023 0.531 0.846 0.513 CB 1.482 40 residues pruned to eliminate duplicates Z: 28 27.008 2.041 1.039 0.520 0.815 0.556 CA 1.503 28 residues pruned to eliminate duplicates Z: 43 35.703 2.083 0.958 0.508 0.952 0.571 CB 1.407 43 residues pruned to eliminate duplicates Z: 26 31.357 2.066 1.093 0.626 0.920 0.680 CA 1.400 26 residues pruned to eliminate duplicates Z: 42 33.299 2.089 0.922 0.512 0.878 0.512 CB 1.457 42 residues pruned to eliminate duplicates Z: 40 38.186 2.092 1.110 0.498 0.949 0.513 CB 1.464 40 residues pruned to eliminate duplicates Z: 41 38.337 2.100 1.054 0.499 0.950 0.350 CB 1.481 41 residues pruned to eliminate duplicates Z: 39 37.112 2.105 0.961 0.541 0.921 0.632 CB 1.521 39 residues pruned to eliminate duplicates Z: 43 39.776 2.095 1.047 0.493 0.976 0.452 CB 1.476 43 residues pruned to eliminate duplicates Z: 26 37.317 2.073 1.162 0.615 1.000 0.600 CA 1.493 26 residues pruned to eliminate duplicates Z: 31 29.773 1.971 0.947 0.538 0.867 0.567 CA 1.575 31 residues pruned to eliminate duplicates Z: 14 16.710 1.931 0.847 0.537 0.846 0.615 CB 1.481 15 residues pruned to eliminate duplicates Z: 6 6.830 1.519 0.854 0.474 1.000 0.400 N 1.114 6 residues pruned to eliminate duplicates Z: 39 34.464 2.071 0.975 0.508 0.947 0.553 CB 1.432 39 residues pruned to eliminate duplicates Z: 40 37.884 2.069 1.060 0.530 0.923 0.359 CB 1.497 40 residues pruned to eliminate duplicates Z: 28 33.703 2.006 1.076 0.577 0.963 0.593 CB 1.503 28 residues pruned to eliminate duplicates Z: 35 22.340 1.890 0.615 0.488 0.941 0.588 CB 1.350 35 residues pruned to eliminate duplicates Z: 15 11.636 1.691 0.514 0.596 0.929 0.643 CA 1.193 15 residues pruned to eliminate duplicates Z: 7 8.787 1.625 0.798 0.742 0.833 0.667 CA 1.186 6 residues pruned to eliminate duplicates Z: 13 12.773 1.905 0.646 0.628 0.917 0.833 CA 1.137 13 residues pruned to eliminate duplicates Z: 25 13.477 1.837 0.556 0.335 0.958 0.667 CB 1.203 25 residues pruned to eliminate duplicates Z: 38 24.165 1.912 0.666 0.483 0.919 0.622 CA 1.381 38 residues pruned to eliminate duplicates Z: 41 21.008 1.851 0.669 0.419 0.875 0.575 CB 1.337 42 residues pruned to eliminate duplicates Z: 10 10.644 1.767 0.590 0.663 1.000 0.444 CA 1.086 10 residues pruned to eliminate duplicates Z: 41 18.546 1.859 0.532 0.438 0.875 0.450 CB 1.254 41 residues pruned to eliminate duplicates Z: 40 19.024 1.884 0.466 0.469 0.846 0.538 CA 1.345 40 residues pruned to eliminate duplicates Z: 38 18.423 1.875 0.483 0.503 0.865 0.568 CB 1.256 38 residues pruned to eliminate duplicates Z: 38 23.338 1.905 0.678 0.482 0.919 0.595 CB 1.331 41 residues pruned to eliminate duplicates Z: 14 9.404 1.713 0.623 0.398 1.000 0.769 CA 1.045 14 residues pruned to eliminate duplicates Z: 37 24.852 1.933 0.716 0.481 0.917 0.528 CB 1.389 37 residues pruned to eliminate duplicates Z: 37 22.168 1.919 0.630 0.488 0.889 0.583 CB 1.346 37 residues pruned to eliminate duplicates Z: 37 23.124 1.933 0.587 0.488 0.944 0.694 CB 1.346 37 residues pruned to eliminate duplicates Z: 37 23.349 1.938 0.579 0.487 0.944 0.611 CB 1.364 37 residues pruned to eliminate duplicates Z: 51 22.762 1.839 0.705 0.393 0.900 0.600 CB 1.278 52 residues pruned to eliminate duplicates Z: 7 5.224 1.491 1.021 0.386 0.833 0.167 CA 0.959 7 residues pruned to eliminate duplicates Z: 37 22.251 1.926 0.623 0.487 0.917 0.611 CB 1.311 37 residues pruned to eliminate duplicates Z: 32 20.420 1.926 0.570 0.479 0.935 0.677 CA 1.324 32 residues pruned to eliminate duplicates Z: 27 20.910 1.971 0.663 0.429 0.962 0.538 CB 1.401 27 residues pruned to eliminate duplicates Z: 38 18.970 1.903 0.493 0.462 0.892 0.568 CB 1.279 38 residues pruned to eliminate duplicates Z: 37 24.687 1.926 0.632 0.495 0.972 0.583 CB 1.353 37 residues pruned to eliminate duplicates Z: 38 19.676 1.870 0.631 0.419 0.838 0.541 CB 1.377 38 residues pruned to eliminate duplicates Z: 38 22.480 1.898 0.610 0.465 0.946 0.622 CB 1.324 38 residues pruned to eliminate duplicates Z: 36 21.697 1.929 0.556 0.469 0.971 0.686 CA 1.298 36 residues pruned to eliminate duplicates Z: 36 24.167 1.960 0.613 0.477 0.943 0.629 CB 1.403 36 residues pruned to eliminate duplicates Z: 36 20.798 1.876 0.707 0.446 0.914 0.600 CB 1.270 36 residues pruned to eliminate duplicates Z: 43 22.539 1.847 0.602 0.453 0.905 0.595 CB 1.364 43 residues pruned to eliminate duplicates Z: 43 20.795 1.797 0.651 0.433 0.905 0.643 CB 1.281 43 residues pruned to eliminate duplicates Z: 36 24.391 1.913 0.720 0.465 0.971 0.714 CA 1.336 36 residues pruned to eliminate duplicates Z: 15 18.730 1.865 0.657 0.740 1.000 0.500 CA 1.306 16 residues pruned to eliminate duplicates Z: 12 15.651 1.928 0.499 0.842 1.000 0.818 CB 1.216 12 residues pruned to eliminate duplicates Z: 20 18.121 1.836 0.682 0.589 0.947 0.737 CB 1.305 21 residues pruned to eliminate duplicates Z: 10 17.739 1.924 0.883 0.888 1.000 0.889 CB 1.176 10 residues pruned to eliminate duplicates Z: 23 16.105 1.818 0.649 0.508 0.909 0.591 CB 1.250 23 residues pruned to eliminate duplicates Z: 24 20.169 1.860 0.789 0.583 0.913 0.696 CA 1.278 24 residues pruned to eliminate duplicates Z: 26 21.034 1.857 0.778 0.609 0.920 0.600 CA 1.248 26 residues pruned to eliminate duplicates Z: 32 16.993 1.786 0.652 0.498 0.839 0.677 CA 1.236 32 residues pruned to eliminate duplicates Z: 18 16.911 1.907 0.722 0.638 0.941 0.706 CB 1.166 18 residues pruned to eliminate duplicates Z: 20 18.762 1.831 0.748 0.609 0.947 0.632 CA 1.281 20 residues pruned to eliminate duplicates Z: 24 21.769 1.871 0.775 0.624 0.957 0.522 CB 1.272 24 residues pruned to eliminate duplicates Z: 27 21.228 1.854 0.691 0.604 0.962 0.654 CA 1.251 27 residues pruned to eliminate duplicates Z: 23 22.678 1.941 0.730 0.664 0.955 0.636 CB 1.296 23 residues pruned to eliminate duplicates Z: 21 23.423 1.912 0.854 0.633 0.950 0.650 CA 1.372 21 residues pruned to eliminate duplicates Z: 26 19.300 1.869 0.663 0.627 0.960 0.760 CA 1.148 26 residues pruned to eliminate duplicates Z: 12 12.390 1.884 0.851 0.424 1.000 0.636 CA 1.160 12 residues pruned to eliminate duplicates Z: 26 19.358 1.875 0.722 0.493 0.880 0.600 CA 1.372 26 residues pruned to eliminate duplicates Z: 13 9.813 1.782 0.702 0.465 0.917 0.583 CA 1.056 13 residues pruned to eliminate duplicates Z: 29 22.081 1.839 0.751 0.590 0.929 0.571 CB 1.282 29 residues pruned to eliminate duplicates Z: 29 18.329 1.833 0.764 0.518 0.857 0.679 CA 1.228 29 residues pruned to eliminate duplicates Z: 28 20.839 1.880 0.627 0.540 0.926 0.667 CA 1.362 28 residues pruned to eliminate duplicates Z: 11 12.888 1.912 0.783 0.550 1.000 0.600 CA 1.138 11 residues pruned to eliminate duplicates Z: 12 9.138 1.826 0.532 0.400 0.909 0.455 CA 1.204 12 residues pruned to eliminate duplicates Z: 22 14.529 1.823 0.489 0.487 0.952 0.714 CA 1.242 22 residues pruned to eliminate duplicates Z: 25 15.790 1.914 0.561 0.402 0.833 0.500 CA 1.435 25 residues pruned to eliminate duplicates Z: 22 11.170 1.741 0.541 0.454 0.810 0.476 CB 1.175 22 residues pruned to eliminate duplicates Z: 29 18.850 1.803 0.519 0.512 0.929 0.714 CB 1.384 29 residues pruned to eliminate duplicates Z: 29 21.448 1.860 0.583 0.548 0.929 0.750 CA 1.414 29 residues pruned to eliminate duplicates Z: 15 18.148 1.810 0.723 0.716 0.929 0.786 CB 1.377 15 residues pruned to eliminate duplicates Z: 28 20.044 1.842 0.658 0.583 0.926 0.704 CB 1.260 28 residues pruned to eliminate duplicates Z: 27 19.845 1.848 0.600 0.515 0.923 0.577 CA 1.406 27 residues pruned to eliminate duplicates Z: 28 17.582 1.859 0.489 0.551 0.889 0.741 CB 1.308 28 residues pruned to eliminate duplicates Z: 34 21.955 1.858 0.618 0.531 0.970 0.697 CB 1.272 34 residues pruned to eliminate duplicates Z: 29 18.109 1.834 0.454 0.526 0.893 0.643 CB 1.401 29 residues pruned to eliminate duplicates Z: 28 20.023 1.902 0.468 0.584 0.926 0.741 CB 1.375 28 residues pruned to eliminate duplicates Z: 29 22.399 1.841 0.662 0.584 0.929 0.750 CB 1.374 29 residues pruned to eliminate duplicates Z: 26 18.635 1.840 0.484 0.620 0.920 0.720 CB 1.325 26 residues pruned to eliminate duplicates Z: 41 25.405 1.803 0.695 0.578 0.925 0.600 CB 1.317 41 residues pruned to eliminate duplicates Z: 14 23.517 1.776 1.162 0.849 1.000 0.615 CA 1.260 14 residues pruned to eliminate duplicates Z: 33 19.883 1.881 0.532 0.597 0.906 0.531 CB 1.227 33 residues pruned to eliminate duplicates Z: 32 21.730 1.886 0.593 0.549 0.968 0.613 CB 1.280 32 residues pruned to eliminate duplicates Z: 34 17.559 1.816 0.505 0.565 0.909 0.576 CB 1.156 34 residues pruned to eliminate duplicates Z: 6 3.013 1.688 -0.139 0.342 1.000 0.200 N 1.101 6 residues pruned to eliminate duplicates Z: 38 19.748 1.833 0.497 0.489 0.892 0.541 CB 1.341 38 residues pruned to eliminate duplicates Z: 28 11.257 1.765 0.399 0.357 0.889 0.481 CB 1.151 32 residues pruned to eliminate duplicates Z: 9 3.719 1.166 0.491 0.548 1.000 0.625 N 0.721 Z: 8 6.395 1.565 0.695 0.562 0.857 0.429 CB 1.001 8 residues pruned to eliminate duplicates Z: 20 10.762 1.814 0.581 0.391 0.895 0.263 CB 1.079 20 residues pruned to eliminate duplicates Z: 22 10.377 1.838 0.547 0.388 0.905 0.381 CB 0.991 31 residues pruned to eliminate duplicates Z: 25 11.062 1.794 0.446 0.435 0.917 0.542 CB 1.016 25 residues pruned to eliminate duplicates Z: 31 12.728 1.708 0.555 0.459 0.900 0.500 CB 1.013 29 residues pruned to eliminate duplicates Z: 7 6.703 1.735 0.249 0.832 1.000 0.833 CB 0.948 7 residues pruned to eliminate duplicates Z: 44 17.839 1.866 0.563 0.355 0.884 0.419 CB 1.234 47 residues pruned to eliminate duplicates Z: 9 4.728 1.685 0.426 0.548 0.875 0.750 CB 0.759 9 residues pruned to eliminate duplicates Z: 62 21.866 1.788 0.579 0.434 0.902 0.541 CB 1.177 62 residues pruned to eliminate duplicates Z: 23 10.273 1.758 0.521 0.403 0.909 0.455 CB 0.998 23 residues pruned to eliminate duplicates Z: 41 17.281 1.849 0.656 0.355 0.850 0.475 CB 1.227 41 residues pruned to eliminate duplicates Z: 31 13.499 1.794 0.576 0.376 0.900 0.700 CB 1.106 31 residues pruned to eliminate duplicates Z: 37 12.045 1.703 0.468 0.376 0.889 0.667 CB 1.031 37 residues pruned to eliminate duplicates Z: 41 22.754 1.937 0.588 0.488 0.925 0.575 CB 1.280 41 residues pruned to eliminate duplicates Z: 6 10.769 1.873 0.469 0.864 1.000 0.800 CB 1.283 6 residues pruned to eliminate duplicates Z: 14 11.451 1.832 0.448 0.628 0.923 0.692 CB 1.151 14 residues pruned to eliminate duplicates Z: 41 21.064 1.933 0.532 0.467 0.925 0.650 CB 1.257 41 residues pruned to eliminate duplicates Z: 15 13.159 1.852 0.573 0.586 0.929 0.714 CB 1.198 14 residues pruned to eliminate duplicates Z: 13 8.888 1.868 0.512 0.568 0.833 0.667 CB 1.020 13 residues pruned to eliminate duplicates Z: 39 17.535 1.871 0.559 0.444 0.868 0.526 CB 1.190 39 residues pruned to eliminate duplicates Z: 42 19.014 1.909 0.564 0.418 0.902 0.488 CB 1.200 42 residues pruned to eliminate duplicates Z: 37 17.387 1.881 0.587 0.410 0.889 0.611 CB 1.201 37 residues pruned to eliminate duplicates Z: 42 22.117 1.913 0.603 0.469 0.927 0.659 CB 1.254 42 residues pruned to eliminate duplicates Z: 40 19.671 1.940 0.618 0.415 0.872 0.564 CB 1.258 40 residues pruned to eliminate duplicates Z: 42 18.320 1.917 0.521 0.427 0.902 0.610 CB 1.173 42 residues pruned to eliminate duplicates Z: 38 18.755 1.919 0.557 0.412 0.946 0.486 CB 1.197 38 residues pruned to eliminate duplicates Z: 32 14.677 1.893 0.445 0.348 0.871 0.613 CB 1.304 32 residues pruned to eliminate duplicates Z: 41 17.119 1.915 0.478 0.409 0.875 0.550 CB 1.202 41 residues pruned to eliminate duplicates Z: 39 21.218 1.869 0.545 0.496 0.921 0.553 CB 1.300 39 residues pruned to eliminate duplicates Z: 6 3.934 1.445 0.620 0.262 1.000 0.400 N 0.986 6 residues pruned to eliminate duplicates Z: 24 17.044 1.925 0.692 0.388 0.957 0.609 CB 1.285 25 residues pruned to eliminate duplicates Z: 6 3.485 1.553 0.703 0.296 1.000 0.800 CB 0.741 6 residues pruned to eliminate duplicates Z: 37 19.425 1.938 0.581 0.435 0.861 0.583 CB 1.312 36 residues pruned to eliminate duplicates Z: 7 9.442 1.927 0.462 0.737 1.000 0.833 CB 1.107 7 residues pruned to eliminate duplicates Z: 38 17.329 1.899 0.456 0.438 0.892 0.568 CB 1.231 38 residues pruned to eliminate duplicates Z: 19 13.406 1.924 0.582 0.474 0.889 0.556 CB 1.199 19 residues pruned to eliminate duplicates Z: 21 12.157 1.943 0.587 0.421 0.850 0.500 CB 1.125 21 residues pruned to eliminate duplicates Z: 16 14.393 1.914 0.557 0.563 1.000 0.533 CB 1.173 16 residues pruned to eliminate duplicates Z: 42 18.059 1.864 0.468 0.441 0.878 0.610 CB 1.247 42 residues pruned to eliminate duplicates Z: 43 21.498 1.911 0.705 0.442 0.857 0.595 CB 1.262 43 residues pruned to eliminate duplicates Z: 20 10.961 1.925 0.500 0.434 0.842 0.526 CB 1.107 20 residues pruned to eliminate duplicates Z: 40 19.925 1.946 0.612 0.406 0.923 0.667 CB 1.216 40 residues pruned to eliminate duplicates Z: 39 18.346 1.939 0.598 0.427 0.895 0.553 CB 1.158 39 residues pruned to eliminate duplicates Z: 44 21.164 1.902 0.650 0.427 0.930 0.628 CB 1.193 44 residues pruned to eliminate duplicates Z: 11 6.920 1.848 0.106 0.590 0.800 0.500 CB 1.228 11 residues pruned to eliminate duplicates Z: 21 12.664 1.943 0.404 0.387 0.950 0.600 CB 1.231 21 residues pruned to eliminate duplicates Z: 26 12.176 1.815 0.449 0.443 0.840 0.560 CB 1.169 27 residues pruned to eliminate duplicates Z: 13 12.828 2.010 0.434 0.562 0.917 0.417 CB 1.319 13 residues pruned to eliminate duplicates Z: 40 17.210 1.850 0.377 0.337 0.949 0.538 CB 1.362 40 residues pruned to eliminate duplicates Z: 9 9.523 1.953 0.133 0.532 1.000 0.625 CB 1.474 9 residues pruned to eliminate duplicates Z: 16 7.914 1.859 0.353 0.426 0.800 0.400 CB 1.097 16 residues pruned to eliminate duplicates Z: 24 11.998 1.892 0.412 0.357 0.826 0.609 CB 1.322 24 residues pruned to eliminate duplicates Z: 16 12.778 2.003 0.412 0.353 0.933 0.667 CB 1.466 16 residues pruned to eliminate duplicates Z: 22 13.085 1.943 0.224 0.409 0.952 0.667 CB 1.387 22 residues pruned to eliminate duplicates Z: 38 16.125 1.805 0.407 0.359 0.919 0.568 CB 1.321 38 residues pruned to eliminate duplicates Z: 39 17.278 1.927 0.275 0.370 0.921 0.579 CA 1.424 40 residues pruned to eliminate duplicates Z: 6 2.608 1.487 0.363 0.442 0.800 0.600 CA 0.764 6 residues pruned to eliminate duplicates Z: 31 14.094 1.872 0.306 0.370 0.900 0.600 CA 1.343 31 residues pruned to eliminate duplicates Z: 38 15.091 1.878 0.356 0.327 0.838 0.486 CB 1.407 38 residues pruned to eliminate duplicates Z: 22 17.152 1.901 0.588 0.447 1.000 0.619 CB 1.309 22 residues pruned to eliminate duplicates Z: 40 15.933 1.883 0.466 0.308 0.872 0.564 CB 1.312 40 residues pruned to eliminate duplicates Z: 39 16.199 1.834 0.422 0.331 0.868 0.447 CB 1.397 39 residues pruned to eliminate duplicates Z: 36 14.373 1.866 0.380 0.345 0.800 0.486 CB 1.396 36 residues pruned to eliminate duplicates Z: 32 14.258 1.804 0.472 0.341 0.871 0.484 CA 1.316 32 residues pruned to eliminate duplicates Z: 36 18.788 1.928 0.475 0.369 0.943 0.514 CB 1.363 36 residues pruned to eliminate duplicates Z: 18 8.461 1.831 0.220 0.276 0.824 0.471 CB 1.437 18 residues pruned to eliminate duplicates Z: 36 17.566 1.915 0.380 0.365 0.914 0.571 CB 1.421 36 residues pruned to eliminate duplicates Z: 40 16.771 1.893 0.391 0.362 0.897 0.564 CB 1.318 40 residues pruned to eliminate duplicates Z: 40 15.669 1.856 0.436 0.297 0.897 0.487 CB 1.316 40 residues pruned to eliminate duplicates Z: 7 4.595 1.623 0.414 0.448 0.833 0.500 CB 1.035 7 residues pruned to eliminate duplicates Z: 19 8.608 1.886 0.333 0.230 0.833 0.278 CB 1.325 19 residues pruned to eliminate duplicates Z: 12 6.151 1.941 0.256 0.279 0.727 0.364 CB 1.343 12 residues pruned to eliminate duplicates Z: 6 2.616 1.387 -0.003 0.402 1.000 0.800 CA 0.938 6 residues pruned to eliminate duplicates Z: 39 17.638 1.884 0.480 0.324 0.921 0.500 CB 1.352 39 residues pruned to eliminate duplicates Z: 6 3.707 1.450 0.390 0.501 0.800 0.400 CA 1.028 Z: 12 19.084 1.892 0.489 0.823 1.000 0.636 CB 1.544 12 residues pruned to eliminate duplicates Z: 14 19.031 1.957 0.697 0.630 0.846 0.385 N 1.662 20 residues pruned to eliminate duplicates Z: 16 16.190 1.843 0.555 0.591 0.867 0.667 CA 1.544 16 residues pruned to eliminate duplicates Z: 17 22.139 1.826 0.741 0.665 0.938 0.562 N 1.594 17 residues pruned to eliminate duplicates Z: 13 18.449 1.941 0.607 0.711 0.917 0.417 CB 1.538 13 residues pruned to eliminate duplicates Z: 15 13.840 1.846 0.707 0.632 0.786 0.500 CB 1.320 15 residues pruned to eliminate duplicates Z: 15 20.777 1.946 0.659 0.663 0.929 0.643 CB 1.593 15 residues pruned to eliminate duplicates Z: 15 19.376 1.873 0.837 0.716 0.857 0.571 CA 1.443 15 residues pruned to eliminate duplicates Z: 15 22.360 1.932 0.887 0.720 0.929 0.429 CA 1.446 15 residues pruned to eliminate duplicates Z: 45 35.632 1.981 0.589 0.712 0.955 0.727 CA 1.475 45 residues pruned to eliminate duplicates Z: 54 30.842 1.942 0.514 0.614 0.925 0.679 CA 1.399 54 residues pruned to eliminate duplicates Z: 50 36.749 1.999 0.686 0.679 0.939 0.653 CB 1.407 50 residues pruned to eliminate duplicates Z: 36 30.992 1.986 0.560 0.696 0.971 0.857 CB 1.456 36 residues pruned to eliminate duplicates Z: 59 33.848 1.955 0.535 0.673 0.931 0.741 CA 1.356 59 residues pruned to eliminate duplicates Z: 54 29.608 1.931 0.547 0.580 0.906 0.623 CB 1.392 54 residues pruned to eliminate duplicates Z: 53 30.867 1.877 0.623 0.605 0.942 0.673 CA 1.349 53 residues pruned to eliminate duplicates Z: 46 32.385 1.992 0.498 0.670 0.933 0.778 CB 1.482 46 residues pruned to eliminate duplicates Z: 46 34.628 1.956 0.546 0.669 0.978 0.756 CA 1.494 46 residues pruned to eliminate duplicates Z: 27 29.317 1.978 0.623 0.751 0.962 0.769 CB 1.489 27 residues pruned to eliminate duplicates Z: 49 32.354 1.914 0.652 0.653 0.917 0.771 CB 1.397 49 residues pruned to eliminate duplicates Z: 44 36.608 2.013 0.624 0.734 0.953 0.814 CA 1.451 44 residues pruned to eliminate duplicates Z: 27 27.689 2.014 0.557 0.774 0.923 0.731 CB 1.472 27 residues pruned to eliminate duplicates Z: 46 32.916 1.953 0.585 0.678 0.956 0.711 CA 1.408 46 residues pruned to eliminate duplicates Z: 55 37.676 1.956 0.630 0.700 0.981 0.648 CB 1.365 55 residues pruned to eliminate duplicates Z: 45 25.105 1.966 0.564 0.549 0.886 0.591 CB 1.323 45 residues pruned to eliminate duplicates Z: 25 35.130 2.096 0.706 0.825 0.958 0.708 CB 1.580 25 residues pruned to eliminate duplicates Z: 38 28.767 1.946 0.560 0.626 0.946 0.649 CB 1.462 38 residues pruned to eliminate duplicates Z: 45 36.048 1.992 0.634 0.712 0.977 0.727 CA 1.410 45 residues pruned to eliminate duplicates Z: 34 32.026 2.051 0.678 0.710 0.970 0.788 CB 1.381 34 residues pruned to eliminate duplicates Z: 29 32.014 2.031 0.694 0.714 0.964 0.786 CB 1.502 29 residues pruned to eliminate duplicates Z: 45 38.090 2.003 0.703 0.698 0.932 0.659 CB 1.507 45 residues pruned to eliminate duplicates Z: 46 31.060 1.949 0.639 0.624 0.911 0.578 CA 1.416 46 residues pruned to eliminate duplicates Z: 28 30.639 2.015 0.712 0.739 0.889 0.704 CA 1.552 28 residues pruned to eliminate duplicates Z: 28 29.814 2.013 0.618 0.736 0.963 0.667 CA 1.480 28 residues pruned to eliminate duplicates Z: 26 32.986 2.046 0.640 0.797 1.000 0.760 CA 1.516 26 residues pruned to eliminate duplicates Z: 35 24.960 2.023 0.532 0.670 0.912 0.735 CB 1.295 35 residues pruned to eliminate duplicates Z: 35 31.723 2.049 0.582 0.664 0.971 0.765 CB 1.485 35 residues pruned to eliminate duplicates Z: 25 35.325 2.098 0.682 0.812 1.000 0.833 CA 1.557 25 residues pruned to eliminate duplicates Z: 26 33.743 2.084 0.690 0.824 0.960 0.880 CA 1.508 26 residues pruned to eliminate duplicates Z: 41 25.907 1.959 0.612 0.604 0.875 0.575 CB 1.343 41 residues pruned to eliminate duplicates Z: 54 32.198 1.942 0.663 0.566 0.887 0.679 CB 1.449 58 residues pruned to eliminate duplicates Z: 26 32.024 2.037 0.788 0.777 0.960 0.720 CA 1.435 26 residues pruned to eliminate duplicates Z: 41 32.060 1.999 0.680 0.657 0.950 0.675 CA 1.373 39 residues pruned to eliminate duplicates Z: 25 26.188 1.926 0.848 0.709 0.917 0.708 CB 1.356 25 residues pruned to eliminate duplicates Z: 37 27.132 1.996 0.578 0.617 0.944 0.750 CB 1.361 37 residues pruned to eliminate duplicates Z: 54 33.896 1.983 0.582 0.607 0.943 0.660 CB 1.421 54 residues pruned to eliminate duplicates Z: 59 36.716 2.001 0.579 0.652 0.948 0.603 CB 1.397 64 residues pruned to eliminate duplicates Z: 6 14.965 1.994 1.090 0.599 1.000 1.000 CA 1.460 6 residues pruned to eliminate duplicates Z: 11 11.568 1.763 0.799 0.408 0.900 0.500 CA 1.411 11 residues pruned to eliminate duplicates Z: 9 7.197 1.861 0.633 0.436 0.750 0.625 CB 1.193 9 residues pruned to eliminate duplicates Z: 45 32.738 1.985 0.712 0.575 0.932 0.750 CA 1.450 45 residues pruned to eliminate duplicates Z: 6 3.848 1.611 1.165 0.346 0.600 0.200 CB 0.971 6 residues pruned to eliminate duplicates Z: 27 23.869 1.972 0.893 0.411 0.923 0.538 CA 1.490 27 residues pruned to eliminate duplicates Z: 98 49.087 1.996 0.656 0.620 0.959 0.691 CB 1.403 98 residues pruned to eliminate duplicates Z: 6 7.471 1.781 0.820 0.387 1.000 0.600 CA 1.162 6 residues pruned to eliminate duplicates Z: 46 24.697 1.914 0.658 0.521 0.844 0.600 CA 1.346 46 residues pruned to eliminate duplicates Z: 46 30.859 1.999 0.634 0.573 0.933 0.689 CB 1.406 46 residues pruned to eliminate duplicates Z: 45 30.990 1.998 0.681 0.556 0.909 0.591 CA 1.448 45 residues pruned to eliminate duplicates Z: 38 28.605 1.995 0.641 0.576 0.919 0.730 CB 1.453 38 residues pruned to eliminate duplicates Z: 46 29.484 1.982 0.717 0.540 0.889 0.622 CA 1.396 46 residues pruned to eliminate duplicates Z: 46 33.011 1.973 0.782 0.559 0.933 0.667 CA 1.416 46 residues pruned to eliminate duplicates Z: 37 23.191 1.896 0.647 0.553 0.889 0.667 CA 1.323 37 residues pruned to eliminate duplicates Z: 47 28.398 1.992 0.642 0.536 0.891 0.609 CB 1.386 47 residues pruned to eliminate duplicates Z: 30 17.993 1.875 0.730 0.372 0.862 0.552 CA 1.370 30 residues pruned to eliminate duplicates Z: 47 32.361 1.981 0.739 0.542 0.935 0.630 CB 1.422 47 residues pruned to eliminate duplicates Z: 40 26.856 1.930 0.643 0.562 0.923 0.564 CA 1.383 40 residues pruned to eliminate duplicates Z: 46 31.050 1.986 0.643 0.567 0.933 0.711 CB 1.424 46 residues pruned to eliminate duplicates Z: 46 30.776 1.983 0.611 0.589 0.956 0.733 CA 1.380 46 residues pruned to eliminate duplicates Z: 38 27.078 2.005 0.557 0.579 0.946 0.757 CB 1.397 38 residues pruned to eliminate duplicates Z: 46 28.749 1.991 0.625 0.552 0.889 0.689 CA 1.417 46 residues pruned to eliminate duplicates Z: 38 28.732 2.001 0.637 0.596 0.919 0.676 CA 1.432 38 residues pruned to eliminate duplicates Z: 38 30.428 2.010 0.699 0.608 0.946 0.703 CA 1.397 38 residues pruned to eliminate duplicates Z: 12 19.204 1.951 0.711 0.901 1.000 0.818 CA 1.238 12 residues pruned to eliminate duplicates Z: 44 32.633 2.003 0.798 0.548 0.930 0.651 CB 1.418 44 residues pruned to eliminate duplicates Z: 79 46.164 2.031 0.674 0.629 0.949 0.692 CB 1.436 79 residues pruned to eliminate duplicates Z: 47 32.195 1.978 0.832 0.539 0.891 0.630 CB 1.416 47 residues pruned to eliminate duplicates Z: 45 33.023 2.002 0.748 0.601 0.932 0.659 CA 1.386 45 residues pruned to eliminate duplicates Z: 45 31.190 1.990 0.759 0.552 0.909 0.568 CB 1.404 45 residues pruned to eliminate duplicates Z: 45 29.882 1.978 0.734 0.543 0.909 0.591 CB 1.385 45 residues pruned to eliminate duplicates Z: 45 33.887 2.012 0.772 0.579 0.932 0.682 CA 1.425 45 residues pruned to eliminate duplicates Z: 13 15.407 1.948 0.578 0.580 0.917 0.500 CB 1.462 13 residues pruned to eliminate duplicates Z: 47 31.901 1.979 0.787 0.561 0.913 0.630 CB 1.373 47 residues pruned to eliminate duplicates Z: 46 33.370 1.988 0.800 0.570 0.933 0.667 CA 1.393 46 residues pruned to eliminate duplicates Z: 46 31.346 1.973 0.732 0.565 0.956 0.689 CB 1.343 46 residues pruned to eliminate duplicates Z: 39 29.548 1.978 0.771 0.584 0.895 0.632 CB 1.411 39 residues pruned to eliminate duplicates Z: 46 31.880 1.984 0.754 0.541 0.933 0.644 CB 1.405 46 residues pruned to eliminate duplicates Z: 44 29.507 1.996 0.677 0.544 0.930 0.674 CA 1.384 44 residues pruned to eliminate duplicates Z: 7 7.391 1.926 0.335 0.652 1.000 0.833 CB 1.019 Z: 8 5.052 1.329 0.735 0.522 0.857 0.714 CA 0.945 6 residues pruned to eliminate duplicates Z: 7 6.332 1.586 0.442 0.517 1.000 0.833 CA 1.112 Z: 7 6.987 1.621 0.861 0.537 0.833 0.667 CA 1.094 6 residues pruned to eliminate duplicates Z: 7 5.488 1.358 0.907 0.457 1.000 0.167 N 0.904 7 residues pruned to eliminate duplicates Z: 42 26.060 1.997 0.770 0.529 0.951 0.561 CB 1.177 67 residues pruned to eliminate duplicates Z: 14 20.426 2.069 0.940 0.788 1.000 0.692 CB 1.095 14 residues pruned to eliminate duplicates Z: 25 13.078 1.872 0.431 0.423 0.875 0.542 CB 1.233 32 residues pruned to eliminate duplicates Z: 14 16.193 1.864 0.831 0.871 0.923 0.615 CB 1.040 14 residues pruned to eliminate duplicates Z: 26 19.749 2.022 0.917 0.548 0.880 0.480 CB 1.105 26 residues pruned to eliminate duplicates Z: 31 23.378 2.012 0.897 0.518 0.900 0.533 CB 1.221 31 residues pruned to eliminate duplicates Z: 41 25.614 1.972 0.750 0.536 0.925 0.600 CB 1.225 41 residues pruned to eliminate duplicates Z: 34 20.545 1.942 0.732 0.528 0.939 0.727 CB 1.101 34 residues pruned to eliminate duplicates Z: 42 27.332 1.997 0.810 0.534 0.927 0.585 CB 1.232 44 residues pruned to eliminate duplicates Z: 13 15.135 1.950 1.248 0.896 0.917 0.750 CB 0.779 13 residues pruned to eliminate duplicates Z: 43 22.009 1.946 0.609 0.513 0.929 0.500 CB 1.153 43 residues pruned to eliminate duplicates Z: 38 24.829 1.966 0.784 0.531 0.892 0.486 CB 1.266 38 residues pruned to eliminate duplicates Z: 40 23.175 1.945 0.745 0.613 0.897 0.513 CB 1.094 40 residues pruned to eliminate duplicates Z: 41 25.600 2.007 0.773 0.517 0.900 0.650 CB 1.242 41 residues pruned to eliminate duplicates Z: 43 24.727 1.952 0.767 0.507 0.905 0.548 CB 1.214 43 residues pruned to eliminate duplicates Z: 42 26.577 1.980 0.723 0.536 0.927 0.561 CB 1.267 42 residues pruned to eliminate duplicates Z: 11 12.644 1.899 0.966 0.375 0.900 0.700 CB 1.360 11 residues pruned to eliminate duplicates Z: 11 15.909 1.897 0.903 0.517 1.000 0.900 CB 1.371 11 residues pruned to eliminate duplicates Z: 40 26.755 2.001 0.807 0.538 0.923 0.667 CB 1.236 40 residues pruned to eliminate duplicates Z: 12 15.656 1.886 0.978 0.462 0.909 0.636 CB 1.447 12 residues pruned to eliminate duplicates Z: 26 16.935 1.980 0.705 0.560 0.880 0.640 CB 1.075 26 residues pruned to eliminate duplicates Z: 11 16.776 1.941 1.001 0.484 1.000 0.700 CB 1.389 11 residues pruned to eliminate duplicates Z: 19 13.943 1.902 0.602 0.371 0.889 0.389 CA 1.392 19 residues pruned to eliminate duplicates Z: 20 14.205 1.912 0.600 0.353 0.895 0.474 CB 1.395 20 residues pruned to eliminate duplicates Z: 19 13.775 1.881 0.585 0.387 0.889 0.444 N 1.381 19 residues pruned to eliminate duplicates Z: 20 15.696 1.936 0.579 0.346 0.895 0.421 CB 1.557 20 residues pruned to eliminate duplicates Z: 41 31.523 1.979 0.818 0.519 0.900 0.525 CB 1.509 41 residues pruned to eliminate duplicates Z: 19 15.027 1.887 0.753 0.357 0.833 0.278 CB 1.500 19 residues pruned to eliminate duplicates Z: 42 30.908 2.009 0.654 0.511 0.927 0.610 CA 1.551 42 residues pruned to eliminate duplicates Z: 41 31.153 1.988 0.770 0.515 0.950 0.650 CB 1.451 41 residues pruned to eliminate duplicates Z: 40 25.456 1.994 0.592 0.479 0.923 0.615 CB 1.421 40 residues pruned to eliminate duplicates Z: 41 28.583 1.936 0.734 0.463 0.950 0.525 CA 1.472 41 residues pruned to eliminate duplicates Z: 42 27.004 1.947 0.681 0.501 0.902 0.610 CB 1.426 42 residues pruned to eliminate duplicates Z: 35 19.975 1.949 0.458 0.454 0.853 0.588 CB 1.482 35 residues pruned to eliminate duplicates Z: 34 25.182 1.985 0.624 0.477 0.909 0.576 CA 1.531 34 residues pruned to eliminate duplicates Z: 34 23.731 1.985 0.559 0.463 0.939 0.515 CA 1.475 34 residues pruned to eliminate duplicates Z: 41 30.772 1.991 0.791 0.498 0.925 0.575 CA 1.478 41 residues pruned to eliminate duplicates Z: 34 25.919 1.992 0.791 0.436 0.909 0.576 CA 1.487 34 residues pruned to eliminate duplicates Z: 41 30.676 1.996 0.860 0.514 0.900 0.550 CB 1.432 41 residues pruned to eliminate duplicates Z: 34 24.284 2.003 0.605 0.433 0.939 0.455 CB 1.501 34 residues pruned to eliminate duplicates Z: 29 26.969 1.990 0.799 0.539 1.000 0.607 CB 1.370 29 residues pruned to eliminate duplicates Z: 29 25.604 1.983 0.807 0.540 0.929 0.750 CB 1.398 28 residues pruned to eliminate duplicates Z: 13 16.432 1.872 0.656 0.848 1.000 0.833 CB 1.135 13 residues pruned to eliminate duplicates Z: 41 34.179 2.012 0.833 0.490 0.975 0.600 CB 1.517 42 residues pruned to eliminate duplicates Z: 11 24.200 2.044 0.881 0.863 1.000 1.000 CA 1.461 11 residues pruned to eliminate duplicates Z: 34 25.896 1.997 0.735 0.449 0.939 0.485 CB 1.461 34 residues pruned to eliminate duplicates Z: 25 29.125 1.954 0.991 0.620 1.000 0.708 CB 1.365 25 residues pruned to eliminate duplicates Z: 43 32.269 1.979 0.795 0.474 0.976 0.571 CA 1.475 43 residues pruned to eliminate duplicates Z: 40 31.089 1.999 0.912 0.491 0.923 0.538 CB 1.424 40 residues pruned to eliminate duplicates Z: 42 34.137 1.987 0.864 0.502 0.976 0.610 CB 1.472 42 residues pruned to eliminate duplicates Z: 44 30.514 1.958 0.807 0.456 0.930 0.581 CA 1.479 44 residues pruned to eliminate duplicates Z: 28 28.265 1.998 0.908 0.569 0.963 0.667 CB 1.386 28 residues pruned to eliminate duplicates Z: 42 29.922 1.954 0.818 0.462 0.927 0.585 CA 1.476 42 residues pruned to eliminate duplicates Z: 41 29.730 1.972 0.768 0.483 0.950 0.600 CB 1.443 41 residues pruned to eliminate duplicates Z: 41 30.220 1.986 0.789 0.478 0.925 0.600 CA 1.486 41 residues pruned to eliminate duplicates Z: 42 28.720 1.980 0.813 0.450 0.902 0.610 CB 1.456 42 residues pruned to eliminate duplicates Z: 41 34.276 2.001 0.903 0.492 0.950 0.575 CB 1.510 41 residues pruned to eliminate duplicates Z: 39 23.447 1.949 0.760 0.359 0.868 0.368 CB 1.487 39 residues pruned to eliminate duplicates Z: 41 32.211 1.948 0.955 0.521 0.925 0.475 CB 1.416 41 residues pruned to eliminate duplicates Z: 41 31.542 1.985 0.795 0.503 0.950 0.575 CB 1.469 41 residues pruned to eliminate duplicates Z: 42 16.475 1.852 0.494 0.394 0.902 0.512 CB 1.153 69 residues pruned to eliminate duplicates Z: 16 7.510 1.652 0.404 0.426 0.800 0.400 CB 1.129 Z: 13 9.037 1.800 0.675 0.485 0.750 0.417 CB 1.172 14 residues pruned to eliminate duplicates Z: 15 12.432 1.793 0.537 0.567 1.000 0.500 CB 1.129 15 residues pruned to eliminate duplicates Z: 13 13.429 1.784 0.639 0.544 1.000 0.667 CB 1.270 13 residues pruned to eliminate duplicates Z: 51 20.963 1.892 0.587 0.427 0.880 0.520 CB 1.210 66 residues pruned to eliminate duplicates Z: 46 19.709 1.861 0.581 0.417 0.867 0.511 CB 1.257 Z: 9 9.117 1.828 0.309 0.704 1.000 0.625 CB 1.118 9 residues pruned to eliminate duplicates Z: 36 14.693 1.870 0.426 0.399 0.886 0.457 CB 1.170 36 residues pruned to eliminate duplicates Z: 26 12.984 1.962 0.438 0.389 0.800 0.560 CB 1.295 26 residues pruned to eliminate duplicates Z: 72 29.802 1.922 0.615 0.467 0.873 0.563 CB 1.349 91 residues pruned to eliminate duplicates Z: 8 9.385 1.998 0.330 0.488 1.000 0.571 CA 1.350 8 residues pruned to eliminate duplicates Z: 28 17.144 1.953 0.583 0.414 0.889 0.519 CB 1.314 28 residues pruned to eliminate duplicates Z: 31 16.919 1.920 0.445 0.473 0.933 0.533 CB 1.226 31 residues pruned to eliminate duplicates Z: 27 17.414 1.926 0.579 0.408 0.923 0.423 CB 1.340 27 residues pruned to eliminate duplicates Z: 33 17.435 1.888 0.518 0.445 0.906 0.500 CB 1.256 33 residues pruned to eliminate duplicates Z: 19 10.092 1.927 0.439 0.319 0.778 0.611 CB 1.346 19 residues pruned to eliminate duplicates Z: 28 15.428 1.951 0.522 0.417 0.778 0.556 CB 1.402 28 residues pruned to eliminate duplicates Z: 39 18.095 1.847 0.524 0.447 0.921 0.500 CB 1.197 39 residues pruned to eliminate duplicates Z: 40 16.024 1.871 0.501 0.440 0.846 0.513 CB 1.148 40 residues pruned to eliminate duplicates Z: 30 16.057 1.897 0.489 0.418 0.897 0.448 CB 1.283 30 residues pruned to eliminate duplicates Z: 29 17.333 1.930 0.566 0.400 0.893 0.500 CB 1.349 29 residues pruned to eliminate duplicates Z: 41 16.438 1.861 0.407 0.428 0.825 0.450 CB 1.297 41 residues pruned to eliminate duplicates Z: 18 10.840 1.822 0.541 0.465 0.824 0.471 CB 1.178 18 residues pruned to eliminate duplicates Z: 37 17.355 1.879 0.602 0.453 0.861 0.472 CB 1.171 37 residues pruned to eliminate duplicates Z: 36 20.163 1.898 0.547 0.479 0.914 0.571 CB 1.298 36 residues pruned to eliminate duplicates Z: 40 16.906 1.855 0.537 0.377 0.872 0.436 CB 1.243 40 residues pruned to eliminate duplicates Z: 41 16.545 1.887 0.404 0.399 0.875 0.500 CB 1.256 41 residues pruned to eliminate duplicates Z: 35 19.005 1.903 0.595 0.435 0.912 0.500 CB 1.260 35 residues pruned to eliminate duplicates Z: 39 19.132 1.880 0.640 0.424 0.842 0.579 CB 1.294 39 residues pruned to eliminate duplicates Z: 37 17.561 1.864 0.520 0.427 0.944 0.472 CB 1.179 37 residues pruned to eliminate duplicates Z: 41 17.945 1.865 0.546 0.394 0.900 0.475 CB 1.223 41 residues pruned to eliminate duplicates Z: 38 19.323 1.883 0.583 0.442 0.946 0.622 CB 1.197 38 residues pruned to eliminate duplicates Z: 30 15.477 1.881 0.618 0.420 0.897 0.552 CB 1.145 30 residues pruned to eliminate duplicates Z: 39 18.384 1.865 0.605 0.408 0.895 0.658 CB 1.226 39 residues pruned to eliminate duplicates Z: 50 16.878 1.832 0.498 0.358 0.857 0.551 CB 1.195 50 residues pruned to eliminate duplicates Z: 7 5.074 1.805 1.000 0.395 0.667 0.333 CB 0.962 7 residues pruned to eliminate duplicates Z: 28 31.857 2.124 0.882 0.573 0.926 0.556 CB 1.544 28 residues pruned to eliminate duplicates Z: 13 23.617 2.159 0.739 0.764 0.917 0.833 CB 1.567 13 residues pruned to eliminate duplicates Z: 39 33.838 2.042 0.843 0.541 0.921 0.632 CB 1.521 39 residues pruned to eliminate duplicates Z: 13 27.349 2.029 0.992 0.903 1.000 0.833 CA 1.392 13 residues pruned to eliminate duplicates Z: 26 28.023 2.002 0.857 0.560 0.920 0.720 CA 1.547 26 residues pruned to eliminate duplicates Z: 31 31.151 2.022 0.883 0.530 1.000 0.667 CB 1.450 31 residues pruned to eliminate duplicates Z: 25 32.907 2.086 1.034 0.611 0.958 0.625 CB 1.488 25 residues pruned to eliminate duplicates Z: 15 22.229 1.924 0.944 0.804 1.000 0.786 CA 1.218 15 residues pruned to eliminate duplicates Z: 39 36.297 2.040 0.930 0.548 0.947 0.526 CB 1.506 39 residues pruned to eliminate duplicates Z: 39 33.156 2.021 0.970 0.508 0.921 0.605 CB 1.454 39 residues pruned to eliminate duplicates Z: 13 29.940 2.036 1.139 0.848 1.000 0.667 CA 1.473 13 residues pruned to eliminate duplicates Z: 39 33.311 2.020 0.828 0.535 0.974 0.553 CB 1.451 39 residues pruned to eliminate duplicates Z: 40 35.843 1.980 0.990 0.558 0.974 0.590 CB 1.414 40 residues pruned to eliminate duplicates Z: 33 27.633 2.037 0.866 0.514 0.875 0.531 CB 1.449 33 residues pruned to eliminate duplicates Z: 38 30.336 2.042 0.864 0.515 0.892 0.676 CB 1.448 38 residues pruned to eliminate duplicates Z: 39 35.691 2.030 0.975 0.518 0.974 0.553 CB 1.456 39 residues pruned to eliminate duplicates Z: 24 33.251 2.105 1.035 0.610 0.957 0.609 CA 1.524 24 residues pruned to eliminate duplicates Z: 39 38.820 2.018 1.069 0.553 0.974 0.579 CB 1.472 39 residues pruned to eliminate duplicates Z: 6 3.553 1.515 0.755 0.370 0.800 0.800 CA 0.859 6 residues pruned to eliminate duplicates Z: 39 34.314 2.033 0.985 0.523 0.921 0.526 CB 1.464 39 residues pruned to eliminate duplicates Z: 6 2.619 1.465 0.267 0.405 1.000 0.400 CB 0.698 6 residues pruned to eliminate duplicates Z: 22 14.871 1.831 0.460 0.528 0.857 0.619 CB 1.378 25 residues pruned to eliminate duplicates Z: 6 6.471 1.751 0.474 0.391 1.000 1.000 CA 1.258 11 residues pruned to eliminate duplicates Z: 6 3.710 1.273 1.241 0.406 0.800 0.600 CA 0.802 6 residues pruned to eliminate duplicates Z: 42 21.918 1.977 0.597 0.490 0.854 0.537 CB 1.283 42 residues pruned to eliminate duplicates Z: 23 10.958 1.714 0.559 0.445 0.909 0.545 CB 1.018 15 residues pruned to eliminate duplicates Z: 8 5.292 1.510 0.254 0.528 1.000 0.429 CB 1.027 8 residues pruned to eliminate duplicates Z: 21 8.015 1.809 0.266 0.296 0.800 0.350 CA 1.227 21 residues pruned to eliminate duplicates Z: 42 20.753 1.949 0.564 0.511 0.854 0.561 CB 1.232 42 residues pruned to eliminate duplicates Z: 36 24.217 2.042 0.703 0.528 0.914 0.629 CB 1.252 36 residues pruned to eliminate duplicates Z: 37 19.931 1.962 0.649 0.489 0.806 0.528 CB 1.289 37 residues pruned to eliminate duplicates Z: 41 21.335 1.949 0.660 0.499 0.875 0.575 CB 1.193 41 residues pruned to eliminate duplicates Z: 40 25.060 2.001 0.789 0.518 0.923 0.641 CB 1.192 40 residues pruned to eliminate duplicates Z: 36 26.567 2.037 0.764 0.530 0.943 0.600 CB 1.287 36 residues pruned to eliminate duplicates Z: 9 4.538 1.723 0.561 0.170 0.750 0.625 CA 1.188 9 residues pruned to eliminate duplicates Z: 28 18.077 2.011 0.612 0.525 0.852 0.519 CB 1.229 28 residues pruned to eliminate duplicates Z: 37 20.227 1.964 0.572 0.482 0.917 0.500 CB 1.213 37 residues pruned to eliminate duplicates Z: 36 21.676 1.998 0.685 0.538 0.857 0.543 CB 1.223 36 residues pruned to eliminate duplicates Z: 42 21.272 1.964 0.578 0.468 0.902 0.537 CB 1.227 42 residues pruned to eliminate duplicates Z: 41 25.440 1.986 0.798 0.508 0.875 0.525 CB 1.277 41 residues pruned to eliminate duplicates Z: 30 17.456 1.912 0.655 0.538 0.897 0.621 CB 1.101 30 residues pruned to eliminate duplicates Z: 31 17.962 2.000 0.593 0.516 0.900 0.567 CB 1.126 31 residues pruned to eliminate duplicates Z: 38 24.949 1.989 0.725 0.508 0.919 0.649 CB 1.291 38 residues pruned to eliminate duplicates Z: 26 17.192 1.943 0.668 0.533 0.880 0.480 CB 1.167 26 residues pruned to eliminate duplicates Z: 32 21.537 2.002 0.665 0.432 0.935 0.484 CB 1.331 32 residues pruned to eliminate duplicates Z: 42 24.712 1.978 0.748 0.495 0.902 0.610 CB 1.243 42 residues pruned to eliminate duplicates Z: 49 24.942 1.930 0.652 0.440 0.896 0.583 CB 1.341 74 residues pruned to eliminate duplicates Z: 14 19.830 1.919 0.831 0.876 0.923 0.692 CB 1.233 14 residues pruned to eliminate duplicates Z: 26 22.272 1.970 0.718 0.553 0.920 0.680 CB 1.359 26 residues pruned to eliminate duplicates Z: 24 25.166 2.063 0.816 0.632 0.957 0.739 CB 1.293 24 residues pruned to eliminate duplicates Z: 36 28.190 2.044 0.794 0.518 0.943 0.543 CB 1.354 36 residues pruned to eliminate duplicates Z: 41 23.946 1.970 0.662 0.517 0.950 0.525 CB 1.196 41 residues pruned to eliminate duplicates Z: 36 21.651 1.984 0.626 0.511 0.886 0.514 CB 1.267 36 residues pruned to eliminate duplicates Z: 49 21.820 1.896 0.741 0.458 0.854 0.562 CB 1.166 49 residues pruned to eliminate duplicates Z: 20 14.584 1.911 0.629 0.475 0.895 0.421 CB 1.231 20 residues pruned to eliminate duplicates Z: 15 6.832 1.727 0.805 0.325 0.786 0.571 CA 0.904 15 residues pruned to eliminate duplicates Z: 13 11.215 1.783 0.845 0.331 0.917 0.583 CA 1.292 13 residues pruned to eliminate duplicates Z: 11 7.944 1.865 0.662 0.257 0.800 0.400 CA 1.339 11 residues pruned to eliminate duplicates Z: 38 23.068 2.006 0.692 0.456 0.892 0.595 CB 1.311 38 residues pruned to eliminate duplicates Z: 31 21.240 2.009 0.461 0.489 0.967 0.533 CA 1.381 31 residues pruned to eliminate duplicates Z: 90 34.628 1.993 0.427 0.572 0.876 0.640 CB 1.373 90 residues pruned to eliminate duplicates Z: 24 18.111 1.956 0.309 0.680 0.957 0.696 CA 1.307 24 residues pruned to eliminate duplicates Z: 27 15.788 1.819 0.599 0.554 0.885 0.615 CB 1.142 27 residues pruned to eliminate duplicates Z: 33 27.448 2.017 0.483 0.708 0.969 0.750 CB 1.386 33 residues pruned to eliminate duplicates Z: 85 40.683 1.988 0.587 0.620 0.964 0.607 CB 1.304 85 residues pruned to eliminate duplicates Z: 27 30.337 2.076 0.713 0.769 0.923 0.731 CB 1.428 27 residues pruned to eliminate duplicates Z: 28 24.358 2.038 0.439 0.735 0.926 0.889 CA 1.398 28 residues pruned to eliminate duplicates Z: 20 21.749 1.964 0.501 0.656 1.000 0.789 CA 1.464 20 residues pruned to eliminate duplicates Z: 26 28.484 2.090 0.493 0.779 0.960 0.760 CA 1.487 26 residues pruned to eliminate duplicates Z: 28 26.561 2.030 0.543 0.721 0.963 0.704 CB 1.387 28 residues pruned to eliminate duplicates Z: 74 33.490 1.885 0.621 0.624 0.932 0.712 CB 1.224 74 residues pruned to eliminate duplicates Z: 28 28.508 2.045 0.617 0.707 0.963 0.667 CB 1.427 28 residues pruned to eliminate duplicates Z: 29 27.339 2.038 0.586 0.669 0.964 0.714 CA 1.418 29 residues pruned to eliminate duplicates Z: 28 29.009 2.043 0.759 0.725 0.963 0.778 CB 1.317 28 residues pruned to eliminate duplicates Z: 33 29.854 1.996 0.636 0.667 1.000 0.750 CB 1.385 33 residues pruned to eliminate duplicates Z: 31 29.419 1.985 0.703 0.679 0.933 0.700 CB 1.444 31 residues pruned to eliminate duplicates Z: 26 31.147 2.047 0.849 0.766 0.960 0.720 CB 1.354 26 residues pruned to eliminate duplicates Z: 26 30.041 2.088 0.661 0.763 0.920 0.760 CB 1.491 26 residues pruned to eliminate duplicates Z: 39 28.502 2.007 0.615 0.707 0.895 0.579 CB 1.321 39 residues pruned to eliminate duplicates Z: 28 29.963 2.050 0.684 0.737 0.926 0.778 CB 1.458 28 residues pruned to eliminate duplicates Z: 39 24.949 1.987 0.623 0.688 0.895 0.579 CB 1.181 39 residues pruned to eliminate duplicates Z: 34 29.459 2.016 0.620 0.694 0.970 0.667 CB 1.356 34 residues pruned to eliminate duplicates Z: 29 29.879 2.032 0.708 0.680 0.964 0.750 CA 1.430 29 residues pruned to eliminate duplicates Z: 34 29.816 2.002 0.622 0.679 0.970 0.697 CB 1.398 34 residues pruned to eliminate duplicates Z: 82 43.423 2.005 0.669 0.620 0.963 0.667 CB 1.336 82 residues pruned to eliminate duplicates Z: 36 29.266 1.995 0.611 0.631 1.000 0.657 CB 1.361 36 residues pruned to eliminate duplicates Z: 81 43.937 2.009 0.619 0.640 1.000 0.675 CB 1.324 82 residues pruned to eliminate duplicates Z: 7 6.402 1.449 1.016 0.438 0.833 0.667 O 1.144 Z: 6 5.838 1.863 0.234 0.426 1.000 0.800 CB 1.226 6 residues pruned to eliminate duplicates Z: 50 26.933 1.946 0.553 0.551 0.939 0.653 CB 1.291 54 residues pruned to eliminate duplicates Z: 6 3.807 1.537 0.577 0.298 1.000 0.600 CB 0.880 6 residues pruned to eliminate duplicates Z: 80 41.406 1.948 0.656 0.597 0.975 0.608 CB 1.351 80 residues pruned to eliminate duplicates Z: 86 42.643 1.977 0.754 0.601 0.941 0.624 CB 1.287 85 residues pruned to eliminate duplicates Z: 6 6.448 1.998 0.009 0.452 1.000 0.600 CB 1.502 6 residues pruned to eliminate duplicates Z: 43 32.662 1.997 0.644 0.610 0.952 0.690 CB 1.452 44 residues pruned to eliminate duplicates Z: 17 24.624 1.969 0.699 0.791 1.000 0.562 CA 1.425 17 residues pruned to eliminate duplicates Z: 84 38.422 2.003 0.574 0.578 0.952 0.675 CB 1.304 84 residues pruned to eliminate duplicates Z: 48 29.401 1.986 0.631 0.580 0.915 0.660 CB 1.340 48 residues pruned to eliminate duplicates Z: 43 28.300 1.982 0.681 0.554 0.905 0.619 CB 1.374 43 residues pruned to eliminate duplicates Z: 52 31.206 1.947 0.590 0.583 0.961 0.647 CB 1.357 52 residues pruned to eliminate duplicates Z: 49 29.864 1.969 0.602 0.582 0.938 0.646 CB 1.348 49 residues pruned to eliminate duplicates Z: 85 37.184 1.963 0.592 0.565 0.940 0.631 CB 1.296 85 residues pruned to eliminate duplicates Z: 82 43.066 2.007 0.644 0.612 0.975 0.654 CB 1.337 82 residues pruned to eliminate duplicates Z: 47 30.209 1.989 0.645 0.582 0.913 0.652 CB 1.379 47 residues pruned to eliminate duplicates Z: 49 29.262 1.960 0.645 0.580 0.896 0.688 CB 1.354 49 residues pruned to eliminate duplicates Z: 51 25.984 1.934 0.533 0.518 0.920 0.580 CB 1.324 51 residues pruned to eliminate duplicates Z: 47 30.373 2.002 0.643 0.569 0.891 0.739 CB 1.429 47 residues pruned to eliminate duplicates Z: 42 30.260 2.017 0.689 0.593 0.927 0.732 CB 1.370 42 residues pruned to eliminate duplicates Z: 49 29.878 1.971 0.611 0.565 0.938 0.646 CB 1.360 49 residues pruned to eliminate duplicates Z: 83 43.121 2.012 0.682 0.616 0.939 0.634 CB 1.343 83 residues pruned to eliminate duplicates Z: 46 28.557 1.996 0.647 0.555 0.911 0.600 CB 1.348 50 residues pruned to eliminate duplicates Z: 6 5.949 1.396 0.830 0.433 1.000 0.400 CA 1.116 Z: 6 3.483 1.516 0.072 0.638 1.000 0.800 CB 0.842 Z: 15 13.683 1.799 0.341 0.651 1.000 0.571 CB 1.316 16 residues pruned to eliminate duplicates Z: 12 10.706 1.807 0.258 0.773 0.909 0.636 CB 1.227 12 residues pruned to eliminate duplicates Z: 19 12.229 1.760 0.547 0.580 0.889 0.611 CB 1.103 19 residues pruned to eliminate duplicates Z: 15 14.715 1.832 0.328 0.763 0.929 0.714 CB 1.378 15 residues pruned to eliminate duplicates Z: 15 12.874 1.797 0.472 0.755 0.929 0.714 CB 1.116 15 residues pruned to eliminate duplicates Z: 15 17.141 1.874 0.551 0.749 0.929 0.714 CB 1.358 15 residues pruned to eliminate duplicates Z: 14 15.768 1.654 0.570 0.844 0.923 0.769 N 1.357 14 residues pruned to eliminate duplicates Z: 16 12.618 1.746 0.618 0.691 0.867 0.600 CB 1.117 16 residues pruned to eliminate duplicates Z: 23 11.594 1.681 0.571 0.535 0.864 0.636 CB 1.048 23 residues pruned to eliminate duplicates Z: 17 11.425 1.776 0.474 0.660 0.875 0.688 CB 1.075 17 residues pruned to eliminate duplicates Z: 17 14.668 1.787 0.447 0.708 1.000 0.625 CB 1.174 17 residues pruned to eliminate duplicates Z: 10 9.563 1.775 0.881 0.458 0.889 0.222 CA 1.121 10 residues pruned to eliminate duplicates Z: 13 7.983 1.703 0.778 0.359 0.917 0.167 CB 0.967 13 residues pruned to eliminate duplicates Z: 15 6.699 1.754 0.693 0.308 0.786 0.429 CB 0.949 13 residues pruned to eliminate duplicates Z: 11 12.942 1.703 0.518 0.823 1.000 0.900 CA 1.196 11 residues pruned to eliminate duplicates Z: 18 9.130 1.723 0.356 0.392 0.882 0.412 CB 1.204 18 residues pruned to eliminate duplicates Z: 13 10.917 1.788 0.331 0.497 1.000 0.667 CB 1.328 13 residues pruned to eliminate duplicates Z: 49 26.966 1.890 0.543 0.580 0.917 0.667 CB 1.348 49 residues pruned to eliminate duplicates Z: 14 10.040 1.811 0.252 0.499 0.923 0.385 CB 1.332 14 residues pruned to eliminate duplicates Z: 19 8.697 1.750 0.358 0.374 0.833 0.389 CB 1.184 19 residues pruned to eliminate duplicates Z: 14 10.668 1.803 0.343 0.493 1.000 0.462 CB 1.230 14 residues pruned to eliminate duplicates Z: 13 9.440 1.775 0.427 0.531 0.917 0.500 CB 1.139 13 residues pruned to eliminate duplicates Z: 60 25.429 1.834 0.475 0.525 0.932 0.610 CB 1.281 60 residues pruned to eliminate duplicates Z: 16 9.880 1.692 0.406 0.472 0.867 0.400 CB 1.272 16 residues pruned to eliminate duplicates Z: 51 22.414 1.830 0.436 0.524 0.920 0.520 CB 1.281 51 residues pruned to eliminate duplicates Z: 17 10.499 1.709 0.329 0.476 0.938 0.562 CB 1.263 17 residues pruned to eliminate duplicates Z: 58 23.121 1.811 0.433 0.552 0.877 0.632 CB 1.278 58 residues pruned to eliminate duplicates Z: 36 23.518 1.897 0.427 0.648 0.943 0.686 CB 1.357 36 residues pruned to eliminate duplicates Z: 38 21.239 1.930 0.367 0.598 0.946 0.703 CB 1.274 38 residues pruned to eliminate duplicates Z: 23 22.958 1.955 0.481 0.722 1.000 0.773 CA 1.383 23 residues pruned to eliminate duplicates Z: 25 19.269 1.877 0.429 0.626 1.000 0.542 CA 1.303 25 residues pruned to eliminate duplicates Z: 39 24.646 1.901 0.463 0.580 0.974 0.684 CA 1.367 39 residues pruned to eliminate duplicates Z: 33 24.088 1.907 0.403 0.730 0.969 0.750 CA 1.335 33 residues pruned to eliminate duplicates Z: 26 22.339 1.975 0.314 0.778 0.920 0.840 CB 1.464 26 residues pruned to eliminate duplicates Z: 26 22.793 1.947 0.331 0.805 0.960 0.920 CA 1.404 26 residues pruned to eliminate duplicates Z: 26 20.010 1.861 0.383 0.696 0.960 0.600 CA 1.354 26 residues pruned to eliminate duplicates Z: 29 22.969 1.932 0.482 0.684 0.964 0.750 CA 1.328 29 residues pruned to eliminate duplicates Z: 79 33.053 1.937 0.489 0.591 0.885 0.641 CB 1.344 79 residues pruned to eliminate duplicates Z: 24 21.076 1.939 0.418 0.707 1.000 0.783 CA 1.325 24 residues pruned to eliminate duplicates Z: 23 20.576 1.924 0.440 0.696 1.000 0.591 CA 1.323 23 residues pruned to eliminate duplicates Z: 29 24.033 1.922 0.487 0.710 0.929 0.786 CB 1.414 29 residues pruned to eliminate duplicates Z: 26 24.865 1.960 0.417 0.781 0.960 0.800 CA 1.456 26 residues pruned to eliminate duplicates Z: 91 36.588 1.908 0.439 0.601 0.933 0.633 CB 1.366 91 residues pruned to eliminate duplicates Z: 40 21.637 1.890 0.386 0.634 0.897 0.667 CB 1.300 40 residues pruned to eliminate duplicates Z: 33 27.685 1.916 0.658 0.695 0.938 0.500 CB 1.375 33 residues pruned to eliminate duplicates Z: 36 20.454 1.832 0.463 0.567 0.886 0.543 CB 1.365 36 residues pruned to eliminate duplicates Z: 26 26.882 1.916 0.490 0.763 1.000 0.720 CB 1.492 26 residues pruned to eliminate duplicates Z: 25 26.845 1.960 0.556 0.820 1.000 0.667 CA 1.361 25 residues pruned to eliminate duplicates Z: 38 23.615 1.920 0.512 0.603 0.892 0.676 CB 1.359 38 residues pruned to eliminate duplicates Z: 37 32.459 1.965 0.677 0.722 0.972 0.611 CB 1.382 37 residues pruned to eliminate duplicates Z: 36 28.296 1.924 0.587 0.696 0.971 0.629 CB 1.348 36 residues pruned to eliminate duplicates Z: 33 26.815 1.916 0.627 0.708 0.938 0.656 CB 1.342 33 residues pruned to eliminate duplicates Z: 37 29.846 1.927 0.745 0.684 0.944 0.583 CA 1.323 37 residues pruned to eliminate duplicates Z: 27 25.116 1.964 0.592 0.754 0.923 0.769 CB 1.361 27 residues pruned to eliminate duplicates Z: 80 36.425 1.918 0.500 0.629 0.937 0.582 CB 1.346 80 residues pruned to eliminate duplicates Z: 7 3.678 1.675 0.057 0.537 0.667 0.333 CB 1.226 7 residues pruned to eliminate duplicates Z: 13 4.907 1.642 0.160 0.383 0.833 0.417 CB 1.010 13 residues pruned to eliminate duplicates Z: 81 35.372 1.922 0.516 0.581 0.938 0.488 CB 1.339 81 residues pruned to eliminate duplicates Z: 11 5.529 1.723 0.305 0.518 0.700 0.500 CB 1.092 11 residues pruned to eliminate duplicates Z: 46 27.169 1.912 0.574 0.580 0.933 0.622 CB 1.334 46 residues pruned to eliminate duplicates Z: 6 3.113 1.428 0.497 0.196 0.800 0.400 CA 1.169 6 residues pruned to eliminate duplicates Z: 45 26.264 1.892 0.648 0.499 0.909 0.523 CB 1.399 41 residues pruned to eliminate duplicates Z: 6 8.528 1.978 0.400 0.528 1.000 0.600 CA 1.341 6 residues pruned to eliminate duplicates Z: 39 24.857 1.880 0.586 0.559 0.947 0.579 CB 1.349 39 residues pruned to eliminate duplicates Z: 85 41.467 1.949 0.757 0.515 0.929 0.643 CB 1.403 87 residues pruned to eliminate duplicates Z: 17 20.398 1.868 0.566 0.794 1.000 0.688 CB 1.347 17 residues pruned to eliminate duplicates Z: 46 24.853 1.873 0.619 0.506 0.889 0.489 CB 1.366 46 residues pruned to eliminate duplicates Z: 41 25.216 1.902 0.644 0.540 0.925 0.575 CB 1.325 41 residues pruned to eliminate duplicates Z: 48 24.640 1.918 0.537 0.486 0.915 0.468 CB 1.351 48 residues pruned to eliminate duplicates Z: 41 22.760 1.912 0.472 0.538 0.950 0.500 CB 1.297 41 residues pruned to eliminate duplicates Z: 79 34.651 1.932 0.544 0.561 0.936 0.513 CB 1.324 79 residues pruned to eliminate duplicates Z: 43 22.721 1.926 0.516 0.516 0.857 0.619 CB 1.379 43 residues pruned to eliminate duplicates Z: 77 33.199 1.933 0.499 0.560 0.921 0.526 CB 1.347 77 residues pruned to eliminate duplicates Z: 47 23.769 1.927 0.493 0.506 0.913 0.478 CB 1.326 47 residues pruned to eliminate duplicates Z: 30 23.165 1.931 0.633 0.551 0.931 0.448 CA 1.394 30 residues pruned to eliminate duplicates Z: 45 23.527 1.907 0.503 0.495 0.909 0.500 CB 1.368 45 residues pruned to eliminate duplicates Z: 39 22.682 1.914 0.560 0.531 0.921 0.658 CB 1.297 39 residues pruned to eliminate duplicates Z: 49 23.952 1.859 0.584 0.491 0.875 0.500 CB 1.354 49 residues pruned to eliminate duplicates Z: 56 24.528 1.886 0.600 0.450 0.909 0.636 CB 1.269 56 residues pruned to eliminate duplicates Z: 42 20.702 1.884 0.526 0.511 0.854 0.488 CB 1.302 42 residues pruned to eliminate duplicates Z: 34 19.628 1.912 0.574 0.445 0.909 0.333 CB 1.321 34 residues pruned to eliminate duplicates Z: 47 24.330 1.869 0.556 0.518 0.935 0.522 CB 1.297 47 residues pruned to eliminate duplicates Z: 84 35.109 1.891 0.556 0.562 0.916 0.542 CB 1.347 84 residues pruned to eliminate duplicates Z: 43 24.646 1.929 0.513 0.524 0.929 0.548 CB 1.370 43 residues pruned to eliminate duplicates Z: 47 25.767 1.935 0.543 0.532 0.913 0.478 CB 1.350 47 residues pruned to eliminate duplicates Z: 46 24.499 1.898 0.616 0.483 0.889 0.489 CB 1.362 46 residues pruned to eliminate duplicates Z: 49 23.975 1.920 0.541 0.463 0.896 0.438 CB 1.356 49 residues pruned to eliminate duplicates Z: 57 26.891 1.939 0.717 0.441 0.875 0.446 CB 1.311 57 residues pruned to eliminate duplicates Z: 80 31.876 1.903 0.657 0.414 0.873 0.506 CB 1.425 80 residues pruned to eliminate duplicates Z: 41 29.249 1.968 0.651 0.481 0.925 0.575 CB 1.569 41 residues pruned to eliminate duplicates Z: 46 26.725 1.945 0.757 0.463 0.889 0.533 CB 1.362 46 residues pruned to eliminate duplicates Z: 40 35.286 2.013 0.858 0.528 0.949 0.615 CB 1.549 40 residues pruned to eliminate duplicates Z: 7 13.500 1.913 0.609 0.660 1.000 0.500 CB 1.544 7 residues pruned to eliminate duplicates Z: 42 30.031 1.971 0.722 0.502 0.976 0.585 CB 1.413 42 residues pruned to eliminate duplicates Z: 41 34.085 2.017 0.841 0.532 0.925 0.675 CB 1.521 41 residues pruned to eliminate duplicates Z: 41 33.370 2.023 0.833 0.541 0.925 0.600 CB 1.477 41 residues pruned to eliminate duplicates Z: 18 20.825 1.971 1.006 0.391 1.000 0.412 CB 1.434 18 residues pruned to eliminate duplicates Z: 40 32.105 2.021 0.873 0.503 0.897 0.513 CB 1.509 40 residues pruned to eliminate duplicates Z: 34 27.296 1.921 0.787 0.534 0.909 0.485 CB 1.473 34 residues pruned to eliminate duplicates Z: 19 15.582 1.985 0.718 0.342 0.833 0.389 CB 1.535 19 residues pruned to eliminate duplicates Z: 40 34.764 2.045 0.890 0.528 0.897 0.590 CB 1.561 40 residues pruned to eliminate duplicates Z: 41 34.135 2.017 0.907 0.530 0.925 0.650 CB 1.473 41 residues pruned to eliminate duplicates Z: 41 34.960 2.034 0.915 0.531 0.950 0.600 CB 1.449 41 residues pruned to eliminate duplicates Z: 41 32.548 2.027 0.772 0.521 0.925 0.575 CB 1.517 41 residues pruned to eliminate duplicates Z: 14 27.143 2.021 1.078 0.702 1.000 0.615 CA 1.490 14 residues pruned to eliminate duplicates Z: 41 33.537 2.012 0.879 0.518 0.900 0.525 CB 1.532 41 residues pruned to eliminate duplicates Z: 41 34.572 1.999 0.972 0.529 0.975 0.650 CB 1.381 41 residues pruned to eliminate duplicates Z: 41 28.431 2.002 0.715 0.477 0.925 0.525 CB 1.449 41 residues pruned to eliminate duplicates Z: 39 36.015 2.032 0.932 0.555 0.947 0.474 CB 1.489 39 residues pruned to eliminate duplicates Z: 14 23.937 1.879 1.136 0.847 1.000 0.846 CA 1.229 14 residues pruned to eliminate duplicates Z: 41 33.179 2.014 0.789 0.488 0.975 0.450 CB 1.512 41 residues pruned to eliminate duplicates Z: 41 33.243 2.035 0.815 0.518 0.925 0.525 CB 1.512 41 residues pruned to eliminate duplicates Z: 11 24.000 2.011 1.192 0.907 0.800 0.700 CA 1.530 11 residues pruned to eliminate duplicates Z: 40 35.075 2.032 0.853 0.528 1.000 0.564 CB 1.452 40 residues pruned to eliminate duplicates Z: 32 31.004 2.036 1.044 0.473 0.935 0.452 CB 1.470 32 residues pruned to eliminate duplicates Z: 41 32.133 2.009 0.917 0.485 0.950 0.550 CB 1.410 41 residues pruned to eliminate duplicates Z: 40 32.648 2.023 0.799 0.493 0.974 0.615 CB 1.485 40 residues pruned to eliminate duplicates Z: 7 5.739 1.266 1.147 0.484 1.000 0.500 N 0.876 7 residues pruned to eliminate duplicates Z: 40 34.428 2.026 0.878 0.531 0.974 0.513 CB 1.442 40 residues pruned to eliminate duplicates Z: 39 35.726 2.034 0.926 0.531 0.974 0.421 CB 1.474 39 residues pruned to eliminate duplicates Z: 41 35.737 2.015 0.949 0.513 0.925 0.400 CB 1.535 41 residues pruned to eliminate duplicates Z: 6 2.907 1.376 0.303 0.357 0.800 0.200 CA 1.058 6 residues pruned to eliminate duplicates Z: 40 31.388 1.996 0.955 0.511 0.923 0.410 CB 1.381 40 residues pruned to eliminate duplicates Z: 26 13.500 1.898 0.597 0.540 0.960 0.480 CB 0.892 26 residues pruned to eliminate duplicates Z: 30 19.864 1.912 0.634 0.555 0.931 0.621 CB 1.202 27 residues pruned to eliminate duplicates Z: 16 19.167 1.894 0.727 0.798 0.933 0.867 CB 1.249 16 residues pruned to eliminate duplicates Z: 32 12.707 1.926 0.261 0.472 0.839 0.613 CB 1.153 32 residues pruned to eliminate duplicates Z: 17 16.605 2.026 0.500 0.722 0.938 0.812 CB 1.192 17 residues pruned to eliminate duplicates Z: 32 19.828 1.986 0.570 0.554 0.903 0.581 CB 1.200 30 residues pruned to eliminate duplicates Z: 12 16.963 1.971 0.590 0.885 0.909 0.909 CB 1.297 12 residues pruned to eliminate duplicates Z: 33 19.865 1.954 0.588 0.532 0.938 0.625 CB 1.170 33 residues pruned to eliminate duplicates Z: 12 16.688 1.919 0.552 0.895 0.909 0.818 CB 1.332 12 residues pruned to eliminate duplicates Z: 27 20.058 2.047 0.602 0.597 0.923 0.615 CB 1.185 27 residues pruned to eliminate duplicates Z: 12 19.721 2.024 0.449 0.929 1.000 1.000 CB 1.419 12 residues pruned to eliminate duplicates Z: 33 19.529 1.978 0.465 0.536 0.938 0.656 CB 1.227 33 residues pruned to eliminate duplicates Z: 18 12.134 1.956 0.311 0.631 0.941 0.824 CB 1.078 18 residues pruned to eliminate duplicates Z: 28 21.453 2.040 0.725 0.597 0.926 0.667 CB 1.155 28 residues pruned to eliminate duplicates Z: 30 18.323 1.985 0.626 0.558 0.862 0.552 CB 1.155 30 residues pruned to eliminate duplicates Z: 15 9.711 1.956 0.143 0.715 0.929 0.857 CB 1.029 15 residues pruned to eliminate duplicates Z: 27 20.513 2.010 0.634 0.608 0.962 0.731 CB 1.150 27 residues pruned to eliminate duplicates Z: 6 3.577 1.492 0.723 0.367 1.000 0.400 N 0.718 Z: 6 2.487 1.455 0.347 0.353 0.800 0.600 CB 0.832 Z: 6 4.548 1.607 0.690 0.517 0.800 0.400 N 0.921 6 residues pruned to eliminate duplicates Z: 14 11.204 1.805 0.545 0.733 0.846 0.615 CB 1.068 20 residues pruned to eliminate duplicates Z: 17 12.549 1.804 0.325 0.682 0.938 0.562 CB 1.185 17 residues pruned to eliminate duplicates Z: 18 11.786 1.770 0.581 0.629 0.824 0.529 CB 1.099 21 residues pruned to eliminate duplicates Z: 12 12.266 1.571 0.689 0.770 0.909 0.545 CA 1.207 12 residues pruned to eliminate duplicates Z: 14 12.100 1.763 0.514 0.663 0.846 0.615 CB 1.277 14 residues pruned to eliminate duplicates Z: 18 12.937 1.757 0.498 0.606 1.000 0.706 CB 1.078 18 residues pruned to eliminate duplicates Z: 10 13.299 1.675 0.918 0.877 0.889 0.556 CB 1.128 10 residues pruned to eliminate duplicates Z: 16 13.258 1.830 0.410 0.664 1.000 0.733 CB 1.139 16 residues pruned to eliminate duplicates Z: 14 15.302 1.806 0.526 0.810 1.000 0.692 CB 1.175 14 residues pruned to eliminate duplicates Z: 18 13.021 1.765 0.596 0.590 0.882 0.529 CB 1.166 18 residues pruned to eliminate duplicates Z: 18 14.565 1.728 0.647 0.594 1.000 0.588 CB 1.134 18 residues pruned to eliminate duplicates Z: 19 12.013 1.725 0.454 0.571 0.944 0.611 CB 1.116 19 residues pruned to eliminate duplicates Z: 17 16.109 1.788 0.714 0.647 0.938 0.500 CA 1.222 17 residues pruned to eliminate duplicates Z: 63 29.014 1.891 0.703 0.518 0.903 0.500 CB 1.245 79 residues pruned to eliminate duplicates Z: 46 24.469 1.865 0.694 0.626 0.889 0.600 CB 1.154 34 residues pruned to eliminate duplicates Z: 6 3.436 1.440 0.578 0.306 1.000 0.400 N 0.838 6 residues pruned to eliminate duplicates Z: 27 24.591 2.021 0.644 0.714 0.962 0.615 CA 1.244 27 residues pruned to eliminate duplicates Z: 30 21.185 1.943 0.756 0.526 0.897 0.552 CA 1.254 30 residues pruned to eliminate duplicates Z: 19 18.590 1.936 0.963 0.524 0.889 0.500 CA 1.267 19 residues pruned to eliminate duplicates Z: 62 40.724 2.052 0.763 0.577 0.951 0.689 CA 1.407 62 residues pruned to eliminate duplicates Z: 15 21.934 2.088 0.902 0.597 1.000 0.571 CA 1.345 15 residues pruned to eliminate duplicates Z: 14 22.798 2.100 0.963 0.686 1.000 0.692 CA 1.294 14 residues pruned to eliminate duplicates Z: 33 30.043 2.010 0.634 0.628 0.969 0.656 CB 1.479 33 residues pruned to eliminate duplicates Z: 35 32.274 2.038 0.705 0.662 0.971 0.588 CB 1.412 35 residues pruned to eliminate duplicates Z: 17 19.442 2.072 0.938 0.558 0.938 0.688 CA 1.220 17 residues pruned to eliminate duplicates Z: 30 29.254 2.007 0.818 0.680 0.931 0.655 CA 1.355 30 residues pruned to eliminate duplicates Z: 27 31.732 2.025 0.775 0.712 1.000 0.654 CA 1.428 27 residues pruned to eliminate duplicates Z: 31 27.390 1.976 0.852 0.621 0.933 0.567 CA 1.306 31 residues pruned to eliminate duplicates Z: 28 33.236 2.044 0.813 0.708 0.963 0.741 CA 1.485 28 residues pruned to eliminate duplicates Z: 29 29.637 1.993 0.717 0.682 1.000 0.643 CB 1.384 29 residues pruned to eliminate duplicates Z: 27 32.757 2.021 0.902 0.708 0.962 0.654 CB 1.439 27 residues pruned to eliminate duplicates Z: 27 32.089 2.033 0.849 0.745 0.962 0.692 CA 1.399 27 residues pruned to eliminate duplicates Z: 27 32.881 2.030 0.883 0.732 0.962 0.731 CB 1.424 27 residues pruned to eliminate duplicates Z: 29 33.659 1.984 1.023 0.686 0.929 0.429 CA 1.439 29 residues pruned to eliminate duplicates Z: 27 34.238 1.973 0.960 0.705 1.000 0.615 CB 1.442 27 residues pruned to eliminate duplicates Z: 27 33.274 2.015 1.046 0.720 0.962 0.500 CB 1.349 27 residues pruned to eliminate duplicates Z: 29 31.484 2.024 0.930 0.669 0.964 0.750 CB 1.352 29 residues pruned to eliminate duplicates Z: 36 37.793 2.050 0.885 0.693 1.000 0.629 CB 1.385 36 residues pruned to eliminate duplicates Z: 34 31.563 2.025 0.820 0.646 0.939 0.697 CA 1.385 34 residues pruned to eliminate duplicates Z: 33 36.196 2.039 0.895 0.693 1.000 0.688 CA 1.388 33 residues pruned to eliminate duplicates Z: 35 34.507 2.045 0.834 0.668 1.000 0.676 CB 1.351 35 residues pruned to eliminate duplicates Z: 44 29.415 2.008 0.821 0.534 0.884 0.535 CB 1.342 44 residues pruned to eliminate duplicates Z: 31 30.463 1.949 1.115 0.668 0.933 0.600 CB 1.238 31 residues pruned to eliminate duplicates Z: 34 32.501 1.991 0.923 0.646 0.939 0.636 CA 1.372 34 residues pruned to eliminate duplicates Z: 16 6.709 1.782 0.418 0.436 0.867 0.467 CB 0.845 16 residues pruned to eliminate duplicates Z: 37 31.025 2.018 0.780 0.651 1.000 0.611 CB 1.251 37 residues pruned to eliminate duplicates Z: 34 26.071 1.917 0.919 0.500 0.909 0.424 CB 1.357 34 residues pruned to eliminate duplicates Z: 79 42.980 2.031 0.794 0.571 0.897 0.590 CB 1.390 79 residues pruned to eliminate duplicates Z: 74 33.961 1.916 0.764 0.562 0.945 0.603 CB 1.172 75 residues pruned to eliminate duplicates Z: 6 2.506 1.381 0.463 0.449 0.800 0.400 CB 0.731 6 residues pruned to eliminate duplicates Z: 43 29.505 2.031 0.765 0.569 0.833 0.619 CB 1.426 43 residues pruned to eliminate duplicates Z: 77 43.938 2.025 0.780 0.600 0.934 0.592 CB 1.361 77 residues pruned to eliminate duplicates Z: 6 12.201 2.038 0.812 0.492 1.000 0.400 CA 1.489 6 residues pruned to eliminate duplicates Z: 41 31.585 2.060 0.721 0.554 0.925 0.600 CA 1.445 41 residues pruned to eliminate duplicates Z: 42 28.000 2.042 0.680 0.527 0.902 0.585 CA 1.375 42 residues pruned to eliminate duplicates Z: 45 31.785 2.019 0.776 0.545 0.955 0.614 CA 1.340 45 residues pruned to eliminate duplicates Z: 41 32.239 2.034 0.728 0.572 0.975 0.650 CA 1.387 41 residues pruned to eliminate duplicates Z: 37 30.513 2.039 0.757 0.599 0.917 0.639 CB 1.409 37 residues pruned to eliminate duplicates Z: 40 30.223 2.024 0.748 0.597 0.897 0.641 CA 1.390 40 residues pruned to eliminate duplicates Z: 39 32.047 2.047 0.795 0.552 0.947 0.526 CA 1.420 39 residues pruned to eliminate duplicates Z: 37 32.221 2.040 0.835 0.628 0.917 0.667 CB 1.387 37 residues pruned to eliminate duplicates Z: 52 32.964 2.026 0.790 0.533 0.922 0.647 CB 1.338 52 residues pruned to eliminate duplicates Z: 42 28.228 2.043 0.768 0.553 0.878 0.537 CA 1.320 42 residues pruned to eliminate duplicates Z: 41 30.935 2.057 0.724 0.569 0.975 0.650 CA 1.324 41 residues pruned to eliminate duplicates Z: 37 30.950 2.095 0.768 0.589 0.889 0.639 CB 1.439 37 residues pruned to eliminate duplicates Z: 41 32.580 2.037 0.817 0.554 0.975 0.700 CA 1.354 41 residues pruned to eliminate duplicates Z: 40 31.744 2.059 0.782 0.579 0.949 0.564 CA 1.353 40 residues pruned to eliminate duplicates Z: 41 34.842 2.048 0.902 0.563 0.975 0.675 CA 1.365 41 residues pruned to eliminate duplicates Z: 42 31.956 2.011 0.853 0.569 0.951 0.585 CA 1.317 42 residues pruned to eliminate duplicates Z: 42 31.185 2.039 0.824 0.555 0.927 0.659 CA 1.339 42 residues pruned to eliminate duplicates Z: 41 29.307 2.058 0.699 0.567 0.950 0.600 CA 1.307 41 residues pruned to eliminate duplicates Z: 56 30.773 2.012 0.659 0.522 0.909 0.527 CB 1.338 56 residues pruned to eliminate duplicates Z: 42 31.687 2.030 0.787 0.571 0.927 0.537 CB 1.374 42 residues pruned to eliminate duplicates Z: 44 31.646 2.030 0.824 0.534 0.930 0.674 CA 1.355 44 residues pruned to eliminate duplicates Z: 38 29.862 2.028 0.829 0.569 0.865 0.622 CA 1.432 38 residues pruned to eliminate duplicates Z: 25 25.445 2.036 0.612 0.807 0.958 0.708 CA 1.264 30 residues pruned to eliminate duplicates Z: 26 27.382 1.939 0.708 0.775 1.000 0.760 CA 1.296 25 residues pruned to eliminate duplicates Z: 25 29.380 1.958 0.924 0.765 0.958 0.750 CA 1.313 25 residues pruned to eliminate duplicates Z: 31 31.239 2.071 0.768 0.712 0.967 0.800 CA 1.330 31 residues pruned to eliminate duplicates Z: 25 25.556 2.018 0.669 0.749 1.000 0.625 CA 1.240 25 residues pruned to eliminate duplicates Z: 25 29.178 2.047 0.787 0.801 0.958 0.708 CA 1.306 26 residues pruned to eliminate duplicates Z: 22 26.509 1.993 0.770 0.834 0.952 0.762 CA 1.291 22 residues pruned to eliminate duplicates Z: 26 34.002 2.055 0.892 0.762 0.960 0.680 CA 1.443 26 residues pruned to eliminate duplicates Z: 26 25.768 1.967 0.828 0.732 0.920 0.720 CA 1.264 26 residues pruned to eliminate duplicates Z: 25 28.832 2.058 0.750 0.797 0.958 0.667 CA 1.315 25 residues pruned to eliminate duplicates Z: 25 32.380 2.041 0.911 0.797 0.958 0.792 CA 1.363 25 residues pruned to eliminate duplicates Z: 26 28.155 1.972 0.906 0.757 0.880 0.640 CA 1.354 26 residues pruned to eliminate duplicates Z: 23 26.956 1.993 0.897 0.853 0.864 0.455 CA 1.301 23 residues pruned to eliminate duplicates Z: 27 33.600 2.018 1.017 0.728 0.962 0.615 CB 1.371 27 residues pruned to eliminate duplicates Z: 23 31.832 2.034 0.860 0.855 1.000 0.500 CA 1.324 23 residues pruned to eliminate duplicates Z: 24 36.255 2.041 1.115 0.797 0.957 0.609 CA 1.412 24 residues pruned to eliminate duplicates Z: 38 32.954 1.917 1.033 0.655 0.946 0.514 CB 1.272 92 residues pruned to eliminate duplicates Z: 24 32.621 1.990 0.993 0.868 1.000 0.435 CA 1.254 24 residues pruned to eliminate duplicates Z: 18 16.632 1.842 0.915 0.598 0.824 0.294 CA 1.264 18 residues pruned to eliminate duplicates Z: 26 26.473 1.988 1.033 0.757 0.920 0.400 CB 1.133 26 residues pruned to eliminate duplicates Z: 28 30.964 1.923 1.132 0.710 0.926 0.370 CB 1.298 28 residues pruned to eliminate duplicates Z: 24 34.403 2.066 1.015 0.831 0.913 0.522 CA 1.418 24 residues pruned to eliminate duplicates Z: 78 38.333 2.012 0.651 0.655 0.857 0.558 CB 1.328 78 residues pruned to eliminate duplicates Z: 42 26.689 1.992 0.631 0.650 0.902 0.463 CB 1.236 42 residues pruned to eliminate duplicates Z: 34 31.115 1.983 0.859 0.676 0.909 0.545 CB 1.375 34 residues pruned to eliminate duplicates Z: 39 29.095 1.993 0.759 0.678 0.921 0.447 CB 1.241 39 residues pruned to eliminate duplicates Z: 14 9.810 2.018 0.282 0.563 0.846 0.385 CB 1.169 14 residues pruned to eliminate duplicates Z: 7 13.479 2.024 0.711 0.569 1.000 0.833 CA 1.487 7 residues pruned to eliminate duplicates Z: 17 9.871 1.937 0.385 0.447 0.875 0.250 CB 1.109 17 residues pruned to eliminate duplicates Z: 37 27.649 1.957 0.794 0.593 0.972 0.389 CB 1.235 37 residues pruned to eliminate duplicates 6 1.634 1.458 0.167 0.202 0.600 0.400 CA 1.021 ? Z: 6 4.489 1.525 0.859 0.415 0.800 0.600 CA 0.968 6 residues pruned to eliminate duplicates Z: 40 34.451 1.951 0.901 0.672 0.974 0.538 CB 1.303 40 residues pruned to eliminate duplicates Z: 6 3.107 1.515 0.644 0.346 0.800 0.400 CA 0.824 6 residues pruned to eliminate duplicates Z: 29 16.620 1.936 0.480 0.416 0.857 0.643 CA 1.396 29 residues pruned to eliminate duplicates Z: 42 24.045 1.929 0.446 0.557 0.927 0.707 CB 1.375 42 residues pruned to eliminate duplicates Z: 38 25.448 1.955 0.528 0.536 0.973 0.730 CA 1.390 38 residues pruned to eliminate duplicates Z: 35 19.027 1.944 0.454 0.494 0.853 0.647 CA 1.362 35 residues pruned to eliminate duplicates Z: 78 39.081 2.004 0.661 0.612 0.883 0.649 CB 1.362 78 residues pruned to eliminate duplicates Z: 43 25.576 1.957 0.556 0.530 0.929 0.595 CB 1.355 43 residues pruned to eliminate duplicates Z: 47 24.899 1.995 0.486 0.527 0.935 0.630 CB 1.290 47 residues pruned to eliminate duplicates Z: 41 26.158 1.977 0.585 0.533 0.925 0.725 CA 1.382 41 residues pruned to eliminate duplicates Z: 40 28.564 1.993 0.605 0.556 0.949 0.744 CB 1.428 40 residues pruned to eliminate duplicates Z: 40 27.959 1.991 0.530 0.572 0.974 0.769 CA 1.407 40 residues pruned to eliminate duplicates Z: 6 4.630 1.652 0.247 0.419 1.000 0.400 CA 1.094 6 residues pruned to eliminate duplicates Z: 39 25.705 1.987 0.531 0.587 0.895 0.632 CB 1.410 39 residues pruned to eliminate duplicates Z: 39 29.218 2.019 0.661 0.592 0.921 0.737 CB 1.406 39 residues pruned to eliminate duplicates Z: 38 28.917 2.018 0.569 0.581 1.000 0.703 CB 1.389 38 residues pruned to eliminate duplicates Z: 38 29.021 1.933 0.767 0.580 0.973 0.649 CB 1.329 38 residues pruned to eliminate duplicates Z: 39 30.163 2.003 0.750 0.576 0.947 0.579 CB 1.369 39 residues pruned to eliminate duplicates Z: 41 26.669 1.979 0.710 0.510 0.925 0.725 CB 1.334 41 residues pruned to eliminate duplicates Z: 38 27.155 1.987 0.661 0.534 0.946 0.676 CB 1.382 38 residues pruned to eliminate duplicates Z: 81 29.338 1.930 0.607 0.480 0.887 0.650 CB 1.216 81 residues pruned to eliminate duplicates Z: 40 28.385 1.996 0.639 0.568 0.923 0.692 CB 1.409 40 residues pruned to eliminate duplicates Z: 55 30.538 1.966 0.622 0.541 0.926 0.556 CB 1.352 55 residues pruned to eliminate duplicates Z: 45 30.348 1.973 0.752 0.578 0.955 0.682 CB 1.286 45 residues pruned to eliminate duplicates Z: 44 28.329 1.995 0.719 0.542 0.907 0.651 CB 1.333 44 residues pruned to eliminate duplicates Z: 41 27.743 1.968 0.689 0.544 0.975 0.625 CB 1.297 41 residues pruned to eliminate duplicates Z: 45 27.014 1.953 0.710 0.534 0.909 0.568 CB 1.298 45 residues pruned to eliminate duplicates Z: 40 29.088 2.009 0.694 0.575 0.923 0.692 CB 1.379 40 residues pruned to eliminate duplicates Z: 38 29.276 2.019 0.724 0.574 0.919 0.730 CB 1.402 38 residues pruned to eliminate duplicates Z: 38 26.743 1.967 0.758 0.512 0.919 0.595 CB 1.368 38 residues pruned to eliminate duplicates Z: 37 27.275 2.026 0.683 0.539 0.917 0.750 CB 1.400 37 residues pruned to eliminate duplicates Z: 39 24.838 1.958 0.646 0.494 0.947 0.605 CB 1.328 39 residues pruned to eliminate duplicates Z: 42 29.463 1.986 0.593 0.575 0.951 0.780 CB 1.422 42 residues pruned to eliminate duplicates Z: 43 25.842 1.948 0.675 0.507 0.929 0.667 CB 1.307 43 residues pruned to eliminate duplicates Z: 42 28.313 1.983 0.806 0.544 0.902 0.634 CB 1.310 43 residues pruned to eliminate duplicates Z: 8 10.246 1.887 0.565 0.622 0.857 0.286 CA 1.363 9 residues pruned to eliminate duplicates Z: 7 9.514 2.041 0.655 0.553 0.667 0.167 CB 1.638 7 residues pruned to eliminate duplicates Z: 43 34.522 2.077 0.751 0.542 0.929 0.548 CB 1.514 41 residues pruned to eliminate duplicates Z: 6 12.129 1.813 0.727 0.754 1.000 0.000 CB 1.382 6 residues pruned to eliminate duplicates Z: 17 17.780 2.116 0.606 0.490 1.000 0.312 CB 1.322 17 residues pruned to eliminate duplicates Z: 32 30.208 2.138 0.756 0.532 0.968 0.548 CB 1.446 32 residues pruned to eliminate duplicates Z: 46 33.326 2.039 0.724 0.549 0.956 0.511 CB 1.410 46 residues pruned to eliminate duplicates Z: 38 28.746 1.976 0.752 0.503 0.892 0.514 CA 1.525 38 residues pruned to eliminate duplicates Z: 20 16.797 2.058 0.611 0.456 0.895 0.474 CB 1.359 20 residues pruned to eliminate duplicates Z: 42 34.177 2.075 0.763 0.562 0.902 0.585 CB 1.521 42 residues pruned to eliminate duplicates Z: 43 35.693 2.076 0.806 0.536 0.952 0.571 CB 1.488 43 residues pruned to eliminate duplicates Z: 43 36.114 2.106 0.758 0.551 0.952 0.548 CB 1.503 43 residues pruned to eliminate duplicates Z: 42 36.645 2.118 0.784 0.561 0.927 0.537 CB 1.540 42 residues pruned to eliminate duplicates Z: 44 33.849 2.069 0.674 0.526 0.977 0.558 CB 1.487 44 residues pruned to eliminate duplicates Z: 43 37.129 2.081 0.799 0.546 0.976 0.595 CB 1.498 43 residues pruned to eliminate duplicates Z: 42 33.117 2.106 0.735 0.560 0.902 0.585 CB 1.479 43 residues pruned to eliminate duplicates Z: 13 21.170 2.144 0.580 0.753 0.917 0.833 CB 1.570 13 residues pruned to eliminate duplicates Z: 44 35.585 2.067 0.839 0.510 0.953 0.535 CB 1.484 44 residues pruned to eliminate duplicates Z: 43 38.439 2.065 0.798 0.540 1.000 0.500 CB 1.535 44 residues pruned to eliminate duplicates Z: 12 30.894 2.131 1.219 0.882 1.000 0.818 CA 1.425 12 residues pruned to eliminate duplicates Z: 42 39.243 2.105 0.816 0.570 0.976 0.585 CB 1.536 42 residues pruned to eliminate duplicates Z: 12 24.368 2.075 0.903 0.863 0.909 0.909 CA 1.502 12 residues pruned to eliminate duplicates Z: 43 38.401 2.118 0.886 0.547 0.952 0.452 CB 1.488 43 residues pruned to eliminate duplicates Z: 43 36.003 2.112 0.831 0.555 0.929 0.548 CB 1.466 43 residues pruned to eliminate duplicates Z: 44 34.193 2.067 0.766 0.543 0.930 0.465 CB 1.472 44 residues pruned to eliminate duplicates Z: 28 29.067 2.020 0.821 0.570 0.926 0.519 CA 1.535 28 residues pruned to eliminate duplicates Z: 44 37.793 2.054 0.912 0.507 0.953 0.558 CB 1.528 43 residues pruned to eliminate duplicates Z: 14 27.159 2.082 1.027 0.742 1.000 0.615 CB 1.437 14 residues pruned to eliminate duplicates Z: 44 36.004 2.084 0.917 0.501 0.977 0.442 CB 1.405 44 residues pruned to eliminate duplicates Z: 33 25.748 1.905 0.848 0.523 0.969 0.531 CB 1.305 33 residues pruned to eliminate duplicates Z: 42 38.127 2.104 0.909 0.556 0.927 0.561 CB 1.515 42 residues pruned to eliminate duplicates Z: 44 38.164 2.051 0.868 0.559 1.000 0.558 CB 1.434 44 residues pruned to eliminate duplicates Z: 44 36.404 2.065 0.838 0.544 0.977 0.535 CB 1.435 44 residues pruned to eliminate duplicates Z: 34 37.039 2.070 0.952 0.558 0.970 0.576 CA 1.555 34 residues pruned to eliminate duplicates Z: 42 39.547 2.111 0.858 0.571 0.976 0.561 CB 1.506 42 residues pruned to eliminate duplicates Z: 43 35.925 2.063 0.812 0.537 0.952 0.548 CB 1.502 43 residues pruned to eliminate duplicates Z: 43 38.472 2.115 0.872 0.563 0.952 0.476 CB 1.481 43 residues pruned to eliminate duplicates Z: 43 37.970 2.070 0.897 0.558 0.952 0.500 CB 1.481 43 residues pruned to eliminate duplicates Z: 15 8.744 1.670 0.256 0.640 0.929 0.500 CB 1.052 15 residues pruned to eliminate duplicates Z: 45 26.485 1.854 0.446 0.680 0.955 0.705 CB 1.323 45 residues pruned to eliminate duplicates Z: 12 9.951 1.636 0.411 0.673 1.000 0.727 CB 1.109 12 residues pruned to eliminate duplicates Z: 33 16.645 1.797 0.476 0.574 0.875 0.625 CB 1.181 33 residues pruned to eliminate duplicates Z: 16 8.321 1.764 0.292 0.494 0.933 0.533 CB 1.016 16 residues pruned to eliminate duplicates Z: 12 7.912 1.768 0.205 0.764 0.909 0.818 CB 0.974 12 residues pruned to eliminate duplicates Z: 13 9.101 1.739 0.315 0.728 0.833 0.667 CB 1.122 13 residues pruned to eliminate duplicates Z: 44 24.619 1.859 0.503 0.663 0.930 0.698 CB 1.242 44 residues pruned to eliminate duplicates Z: 45 25.581 1.875 0.491 0.655 0.955 0.636 CB 1.251 45 residues pruned to eliminate duplicates Z: 46 21.155 1.831 0.422 0.624 0.889 0.600 CB 1.212 46 residues pruned to eliminate duplicates Z: 42 23.087 1.895 0.454 0.672 0.927 0.683 CB 1.205 42 residues pruned to eliminate duplicates Z: 46 23.254 1.835 0.456 0.645 0.933 0.689 CB 1.214 46 residues pruned to eliminate duplicates Z: 47 21.888 1.842 0.356 0.651 0.913 0.761 CB 1.229 47 residues pruned to eliminate duplicates Z: 32 22.794 1.921 0.455 0.695 0.968 0.806 CA 1.266 32 residues pruned to eliminate duplicates Z: 43 24.421 1.886 0.489 0.684 0.929 0.643 CB 1.220 43 residues pruned to eliminate duplicates Z: 38 25.688 1.899 0.582 0.676 0.946 0.622 CB 1.263 38 residues pruned to eliminate duplicates Z: 42 26.417 1.891 0.579 0.696 0.951 0.732 CB 1.215 41 residues pruned to eliminate duplicates Z: 24 26.333 1.974 0.601 0.862 1.000 0.696 CA 1.276 24 residues pruned to eliminate duplicates Z: 33 22.581 1.923 0.552 0.664 0.938 0.719 CB 1.226 32 residues pruned to eliminate duplicates Z: 24 26.024 1.975 0.478 0.866 1.000 0.783 CA 1.361 24 residues pruned to eliminate duplicates Z: 43 24.898 1.871 0.542 0.688 0.929 0.690 CB 1.207 46 residues pruned to eliminate duplicates Z: 23 26.466 1.997 0.515 0.841 1.000 0.773 CB 1.391 22 residues pruned to eliminate duplicates Z: 23 29.762 1.993 0.785 0.861 0.955 0.636 CB 1.373 23 residues pruned to eliminate duplicates Z: 23 25.081 1.965 0.655 0.843 0.864 0.545 CB 1.417 23 residues pruned to eliminate duplicates Z: 35 24.591 1.849 0.739 0.643 0.941 0.676 CB 1.219 35 residues pruned to eliminate duplicates Z: 43 25.974 1.882 0.578 0.673 0.929 0.738 CB 1.239 43 residues pruned to eliminate duplicates Z: 23 26.601 2.019 0.706 0.849 0.909 0.500 CB 1.342 23 residues pruned to eliminate duplicates Z: 31 26.297 1.935 0.817 0.690 0.933 0.533 CB 1.230 30 residues pruned to eliminate duplicates Z: 22 27.514 2.020 0.602 0.859 1.000 0.667 CB 1.365 22 residues pruned to eliminate duplicates Z: 31 26.759 1.909 0.740 0.725 0.933 0.567 CB 1.286 31 residues pruned to eliminate duplicates Z: 49 25.614 1.836 0.553 0.669 0.938 0.646 CB 1.184 49 residues pruned to eliminate duplicates Z: 41 23.807 1.893 0.638 0.684 0.900 0.575 CB 1.139 41 residues pruned to eliminate duplicates Z: 32 25.547 1.884 0.703 0.685 0.935 0.613 CB 1.290 32 residues pruned to eliminate duplicates Z: 34 24.582 1.851 0.695 0.633 0.939 0.606 CB 1.281 26 residues pruned to eliminate duplicates Z: 22 30.560 2.027 0.777 0.851 0.952 0.524 CB 1.439 22 residues pruned to eliminate duplicates Z: 43 25.196 1.873 0.561 0.701 0.929 0.548 CB 1.193 43 residues pruned to eliminate duplicates Z: 41 24.088 1.897 0.504 0.667 0.975 0.625 CB 1.173 50 residues pruned to eliminate duplicates Z: 24 29.730 1.929 0.713 0.858 1.000 0.652 CB 1.382 24 residues pruned to eliminate duplicates Z: 45 19.163 1.921 0.540 0.430 0.841 0.523 CB 1.248 45 residues pruned to eliminate duplicates Z: 22 15.923 1.915 0.665 0.441 0.905 0.714 CB 1.280 22 residues pruned to eliminate duplicates Z: 38 17.787 1.939 0.408 0.437 0.919 0.568 CB 1.244 38 residues pruned to eliminate duplicates Z: 17 18.271 2.118 0.625 0.473 0.875 0.688 CB 1.560 17 residues pruned to eliminate duplicates Z: 37 22.486 1.983 0.554 0.491 0.917 0.528 CB 1.339 37 residues pruned to eliminate duplicates Z: 42 19.798 1.978 0.474 0.435 0.927 0.707 CB 1.225 42 residues pruned to eliminate duplicates Z: 43 22.132 1.990 0.576 0.446 0.905 0.500 CB 1.272 43 residues pruned to eliminate duplicates Z: 37 24.430 1.987 0.723 0.492 0.944 0.639 CB 1.269 39 residues pruned to eliminate duplicates Z: 10 11.613 1.925 0.406 0.653 1.000 0.667 CA 1.240 10 residues pruned to eliminate duplicates Z: 42 21.252 1.960 0.674 0.444 0.829 0.634 CB 1.292 42 residues pruned to eliminate duplicates Z: 44 19.194 1.941 0.412 0.401 0.907 0.535 CB 1.306 44 residues pruned to eliminate duplicates Z: 44 23.896 1.987 0.575 0.436 0.930 0.674 CB 1.338 44 residues pruned to eliminate duplicates Z: 31 22.104 2.014 0.674 0.446 0.933 0.600 CB 1.356 31 residues pruned to eliminate duplicates Z: 30 22.636 2.026 0.556 0.459 0.966 0.655 CB 1.440 30 residues pruned to eliminate duplicates Z: 37 21.240 1.995 0.551 0.456 0.917 0.583 CB 1.305 37 residues pruned to eliminate duplicates Z: 31 24.003 2.026 0.736 0.468 0.967 0.700 CB 1.332 31 residues pruned to eliminate duplicates Z: 35 21.577 1.965 0.563 0.446 0.941 0.559 CB 1.353 35 residues pruned to eliminate duplicates Z: 37 24.598 2.022 0.589 0.469 0.944 0.611 CB 1.395 37 residues pruned to eliminate duplicates Z: 38 23.557 1.967 0.643 0.501 0.892 0.649 CB 1.343 38 residues pruned to eliminate duplicates Z: 37 24.145 1.977 0.663 0.474 0.944 0.611 CB 1.330 37 residues pruned to eliminate duplicates Z: 46 23.350 1.938 0.574 0.423 0.911 0.578 CB 1.356 46 residues pruned to eliminate duplicates Z: 34 23.672 2.001 0.524 0.500 0.970 0.727 CB 1.394 34 residues pruned to eliminate duplicates Z: 8 7.681 1.746 0.556 0.565 1.000 0.286 CA 1.003 8 residues pruned to eliminate duplicates Z: 17 13.291 1.854 0.678 0.503 0.938 0.500 CB 1.136 17 residues pruned to eliminate duplicates Z: 38 23.365 1.952 0.568 0.480 0.919 0.541 CB 1.395 38 residues pruned to eliminate duplicates Z: 45 21.367 1.978 0.535 0.440 0.864 0.636 CB 1.307 45 residues pruned to eliminate duplicates Z: 9 10.311 1.986 0.662 0.504 0.875 0.625 CA 1.258 9 residues pruned to eliminate duplicates Z: 31 23.639 2.017 0.682 0.483 0.933 0.633 CB 1.388 30 residues pruned to eliminate duplicates Z: 7 6.280 1.881 0.402 0.833 1.000 0.667 CB 0.730 7 residues pruned to eliminate duplicates Z: 36 24.124 2.033 0.603 0.459 0.943 0.543 CB 1.383 37 residues pruned to eliminate duplicates Z: 7 10.031 1.953 0.846 0.690 0.833 0.500 CB 1.146 7 residues pruned to eliminate duplicates Z: 41 32.202 2.067 0.781 0.555 0.900 0.650 CB 1.457 41 residues pruned to eliminate duplicates Z: 42 33.576 2.101 0.841 0.482 0.951 0.585 CA 1.451 42 residues pruned to eliminate duplicates Z: 42 32.688 2.089 0.726 0.495 0.951 0.659 CA 1.495 42 residues pruned to eliminate duplicates Z: 43 32.706 2.108 0.804 0.539 0.881 0.643 CB 1.450 43 residues pruned to eliminate duplicates Z: 44 32.170 2.078 0.815 0.516 0.837 0.512 CB 1.529 44 residues pruned to eliminate duplicates Z: 41 37.413 2.128 0.872 0.509 0.950 0.625 CB 1.549 41 residues pruned to eliminate duplicates Z: 45 37.524 2.076 0.898 0.492 0.932 0.568 CB 1.552 45 residues pruned to eliminate duplicates Z: 39 34.930 2.138 0.771 0.526 0.921 0.526 CB 1.584 39 residues pruned to eliminate duplicates Z: 41 34.878 2.095 0.916 0.551 0.900 0.650 CB 1.453 41 residues pruned to eliminate duplicates Z: 42 35.519 2.115 0.774 0.518 0.951 0.659 CB 1.526 42 residues pruned to eliminate duplicates Z: 42 35.517 2.109 0.800 0.538 0.951 0.537 CB 1.480 42 residues pruned to eliminate duplicates Z: 19 19.405 2.125 0.804 0.362 0.944 0.278 CB 1.465 19 residues pruned to eliminate duplicates Z: 42 35.910 2.133 0.911 0.481 0.878 0.585 CB 1.598 42 residues pruned to eliminate duplicates Z: 42 33.866 2.114 0.834 0.499 0.902 0.585 CB 1.514 42 residues pruned to eliminate duplicates Z: 42 35.624 2.140 0.872 0.455 0.927 0.488 CA 1.569 42 residues pruned to eliminate duplicates Z: 29 32.659 2.068 0.848 0.586 0.964 0.571 CA 1.542 29 residues pruned to eliminate duplicates Z: 42 34.313 2.086 0.834 0.531 0.902 0.659 CB 1.505 42 residues pruned to eliminate duplicates Z: 43 39.755 2.097 0.915 0.513 0.952 0.571 CB 1.584 43 residues pruned to eliminate duplicates Z: 30 28.973 2.100 0.781 0.543 0.897 0.586 CB 1.538 30 residues pruned to eliminate duplicates Z: 42 33.999 2.079 0.807 0.517 0.927 0.561 CB 1.500 42 residues pruned to eliminate duplicates Z: 42 37.868 2.127 0.898 0.535 0.951 0.610 CB 1.488 42 residues pruned to eliminate duplicates Z: 41 28.593 2.081 0.824 0.451 0.875 0.500 CB 1.432 41 residues pruned to eliminate duplicates Z: 40 37.488 2.111 0.989 0.525 0.897 0.667 CB 1.553 40 residues pruned to eliminate duplicates Z: 42 42.124 2.118 1.037 0.513 0.976 0.585 CA 1.543 41 residues pruned to eliminate duplicates Z: 15 25.804 2.146 0.959 0.700 0.929 0.714 CB 1.473 15 residues pruned to eliminate duplicates Z: 40 38.006 2.132 0.920 0.517 0.949 0.590 CB 1.541 41 residues pruned to eliminate duplicates Z: 6 5.648 1.560 0.932 0.496 0.800 0.400 CA 1.052 6 residues pruned to eliminate duplicates Z: 41 33.363 2.078 0.870 0.524 0.900 0.550 CB 1.473 41 residues pruned to eliminate duplicates Z: 40 39.265 2.135 0.939 0.522 0.949 0.564 CA 1.566 40 residues pruned to eliminate duplicates Z: 43 32.396 2.031 0.888 0.503 0.905 0.500 CB 1.437 43 residues pruned to eliminate duplicates Z: 40 35.802 2.115 0.849 0.547 0.923 0.641 CB 1.517 40 residues pruned to eliminate duplicates Z: 40 26.407 2.044 0.762 0.502 0.821 0.590 CB 1.429 40 residues pruned to eliminate duplicates Z: 41 34.593 2.113 0.860 0.550 0.900 0.625 CB 1.474 41 residues pruned to eliminate duplicates Z: 42 36.982 2.121 0.902 0.500 0.927 0.659 CB 1.546 42 residues pruned to eliminate duplicates Z: 10 3.458 1.789 0.560 0.238 0.778 0.333 CB 0.720 10 residues pruned to eliminate duplicates Z: 9 3.032 1.503 0.553 0.230 0.625 0.250 CB 1.006 Z: 6 2.441 1.348 0.583 0.397 0.600 0.400 CB 0.951 6 residues pruned to eliminate duplicates Z: 6 2.063 1.452 -0.141 0.436 0.800 0.600 CA 0.988 6 residues pruned to eliminate duplicates 1157 residues left after pruning, divided into chains as follows: A: 7 B: 6 C: 7 D: 12 E: 6 F: 7 G: 30 H: 37 I: 41 J: 37 K: 106 L: 102 M: 65 N: 17 O: 126 P: 13 Q: 144 R: 30 S: 96 T: 75 U: 43 V: 69 W: 81 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 38.26 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.512, Connect. = 0.746 for dens.mod. cycle 1 = 0.300, Contrast = 0.599, Connect. = 0.771 for dens.mod. cycle 2 = 0.300, Contrast = 0.727, Connect. = 0.794 for dens.mod. cycle 3 = 0.300, Contrast = 0.747, Connect. = 0.796 for dens.mod. cycle 4 = 0.300, Contrast = 0.764, Connect. = 0.798 for dens.mod. cycle 5 = 0.300, Contrast = 0.771, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 0.777, Connect. = 0.800 for dens.mod. cycle 7 = 0.300, Contrast = 0.779, Connect. = 0.801 for dens.mod. cycle 8 = 0.300, Contrast = 0.781, Connect. = 0.802 for dens.mod. cycle 9 = 0.300, Contrast = 0.782, Connect. = 0.802 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6149 peaks > 0.5 sigma used to seed fragment search Space for about 2008 unique residues taking solvent into account 1395 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 22.369 2.009 0.751 0.821 1.000 0.769 CA 1.335 B: 14 27.937 1.990 0.912 0.849 1.000 0.769 CA 1.510 14 residues pruned to eliminate duplicates C: 60 41.867 2.031 0.884 0.572 0.932 0.559 CB 1.425 14 residues pruned to eliminate duplicates D: 13 25.234 2.040 0.889 0.890 1.000 0.833 CB 1.360 E: 13 20.362 2.000 0.688 0.840 1.000 0.917 CA 1.299 13 residues pruned to eliminate duplicates F: 13 26.420 2.002 1.066 0.901 1.000 1.000 CA 1.316 13 residues pruned to eliminate duplicates G: 12 26.414 2.167 0.748 0.910 1.000 1.000 CA 1.491 H: 15 24.501 1.952 0.963 0.888 0.929 0.857 CB 1.326 15 residues pruned to eliminate duplicates I: 13 23.452 2.094 0.577 0.825 1.000 0.667 CA 1.547 12 residues pruned to eliminate duplicates J: 16 19.094 1.770 0.696 0.824 1.000 0.667 CB 1.241 K: 10 20.857 2.121 0.570 0.843 1.000 0.667 CB 1.554 10 residues pruned to eliminate duplicates L: 16 19.364 2.124 0.760 0.545 0.933 0.400 CB 1.372 M: 13 18.410 1.781 0.557 0.848 1.000 1.000 CB 1.422 N: 25 28.420 1.905 0.642 0.879 1.000 0.667 CA 1.345 O: 14 20.827 2.033 0.645 0.827 1.000 0.769 CA 1.302 14 residues pruned to eliminate duplicates P: 30 10.870 1.821 0.303 0.368 0.828 0.586 CB 1.183 Q: 18 17.049 2.070 0.714 0.501 0.824 0.529 CB 1.413 R: 12 27.953 2.110 0.973 0.853 1.000 0.818 CA 1.496 13 residues pruned to eliminate duplicates S: 30 32.620 2.031 0.979 0.547 0.931 0.621 CB 1.546 13 residues pruned to eliminate duplicates T: 13 17.212 1.901 0.666 0.829 1.000 0.667 CA 1.181 U: 11 25.244 2.169 0.574 0.911 1.000 0.900 CA 1.657 11 residues pruned to eliminate duplicates V: 12 16.488 1.894 0.498 0.812 1.000 0.818 CB 1.335 W: 12 29.232 2.150 0.921 0.882 1.000 1.000 CA 1.545 12 residues pruned to eliminate duplicates X: 23 24.999 1.913 0.702 0.842 0.955 0.682 CB 1.277 Y: 13 17.014 1.928 0.546 0.911 1.000 0.833 CB 1.168 13 residues pruned to eliminate duplicates Z: 24 30.419 1.945 0.861 0.881 1.000 0.696 CB 1.269 24 residues pruned to eliminate duplicates Z: 13 28.172 2.018 1.081 0.884 1.000 0.750 CB 1.399 Z: 23 30.389 2.069 0.546 0.877 1.000 0.864 CA 1.471 Z: 12 19.825 2.133 0.709 0.825 0.909 0.909 CA 1.361 12 residues pruned to eliminate duplicates Z: 14 17.342 1.987 0.311 0.849 1.000 1.000 CA 1.368 14 residues pruned to eliminate duplicates Z: 10 9.293 1.828 0.553 0.875 1.000 0.778 CB 0.794 Z: 11 20.036 2.074 1.129 0.903 0.900 0.700 CB 1.137 Z: 13 28.487 2.015 1.139 0.883 1.000 0.750 CB 1.380 13 residues pruned to eliminate duplicates Z: 14 26.473 1.952 0.758 0.921 1.000 0.846 CA 1.506 14 residues pruned to eliminate duplicates Z: 14 17.981 1.874 0.834 0.815 1.000 0.462 CB 1.104 Z: 23 29.783 2.095 0.583 0.849 0.955 0.727 CA 1.488 23 residues pruned to eliminate duplicates Z: 22 32.068 2.011 0.887 0.890 0.952 0.571 CB 1.393 24 residues pruned to eliminate duplicates Z: 6 9.666 1.947 0.491 0.783 0.800 0.600 O 1.451 Z: 22 27.244 2.034 0.557 0.863 1.000 0.905 CA 1.376 22 residues pruned to eliminate duplicates Z: 6 6.937 1.593 0.466 0.819 1.000 1.000 CA 1.008 Z: 11 16.852 2.047 0.745 0.907 0.900 0.800 CB 1.178 11 residues pruned to eliminate duplicates Z: 22 28.430 2.006 0.678 0.917 0.952 0.667 CB 1.366 22 residues pruned to eliminate duplicates Z: 10 7.998 1.709 0.625 0.486 0.778 0.556 CB 1.251 Z: 13 24.935 1.940 1.041 0.856 1.000 0.917 CA 1.342 Z: 13 18.736 1.862 0.628 0.868 1.000 0.833 CA 1.304 13 residues pruned to eliminate duplicates Z: 39 27.769 2.032 0.549 0.610 0.921 0.632 CA 1.400 39 residues pruned to eliminate duplicates Z: 11 10.233 1.795 0.768 0.931 1.000 0.900 CB 0.713 10 residues pruned to eliminate duplicates Z: 15 22.638 1.763 0.797 0.905 1.000 0.857 CA 1.360 16 residues pruned to eliminate duplicates Z: 23 26.439 1.965 0.616 0.874 1.000 0.591 CB 1.291 23 residues pruned to eliminate duplicates Z: 11 11.238 1.637 0.338 0.888 1.000 1.000 CA 1.169 Z: 9 10.874 1.829 0.247 0.892 1.000 0.875 CB 1.211 9 residues pruned to eliminate duplicates Z: 13 19.778 1.942 0.785 0.820 0.917 0.417 CB 1.361 Z: 13 22.866 2.044 0.621 0.871 1.000 0.917 CA 1.453 13 residues pruned to eliminate duplicates Z: 13 22.134 2.036 0.897 0.828 0.917 0.500 CA 1.359 13 residues pruned to eliminate duplicates Z: 24 29.612 1.953 0.815 0.835 1.000 0.652 CB 1.305 24 residues pruned to eliminate duplicates Z: 13 25.162 2.026 0.903 0.867 0.917 0.917 CA 1.503 13 residues pruned to eliminate duplicates Z: 23 31.316 2.018 0.758 0.871 1.000 0.727 CB 1.373 23 residues pruned to eliminate duplicates Z: 7 10.459 1.847 0.644 0.623 1.000 0.833 CB 1.253 Z: 15 15.762 1.739 0.486 0.783 1.000 0.857 CA 1.270 Z: 14 17.353 1.702 0.777 0.785 0.923 0.615 CA 1.341 15 residues pruned to eliminate duplicates Z: 75 34.720 1.983 0.642 0.569 0.892 0.608 CB 1.300 25 residues pruned to eliminate duplicates Z: 22 18.389 1.990 0.337 0.833 0.952 0.762 CA 1.188 Z: 13 21.836 2.080 0.551 0.855 1.000 0.917 CA 1.442 13 residues pruned to eliminate duplicates Z: 7 10.628 1.863 0.504 0.835 1.000 0.833 CB 1.160 Z: 35 34.222 2.004 0.799 0.701 0.971 0.647 CB 1.396 35 residues pruned to eliminate duplicates Z: 12 25.564 1.959 1.037 0.842 1.000 0.818 CA 1.439 Z: 9 7.659 1.698 0.624 0.306 0.875 0.375 N 1.392 Z: 12 20.026 1.965 0.811 0.867 1.000 0.727 CB 1.241 14 residues pruned to eliminate duplicates Z: 12 22.070 1.844 0.831 0.929 1.000 0.818 CA 1.380 Z: 31 27.404 1.999 0.866 0.490 0.933 0.467 CB 1.451 31 residues pruned to eliminate duplicates Z: 9 9.026 1.696 0.167 0.911 1.000 1.000 CB 1.142 Z: 41 28.170 1.957 0.579 0.626 0.975 0.500 CB 1.313 36 residues pruned to eliminate duplicates Z: 11 21.576 1.961 0.900 0.895 0.800 0.800 CB 1.640 11 residues pruned to eliminate duplicates Z: 11 19.975 2.150 0.520 0.900 1.000 1.000 CA 1.381 11 residues pruned to eliminate duplicates Z: 14 23.756 1.970 0.766 0.859 1.000 0.769 CA 1.393 14 residues pruned to eliminate duplicates Z: 37 28.392 1.990 0.607 0.671 0.944 0.722 CB 1.339 37 residues pruned to eliminate duplicates Z: 33 31.272 2.050 0.605 0.719 0.969 0.750 CA 1.422 33 residues pruned to eliminate duplicates Z: 13 28.379 1.987 1.242 0.834 1.000 0.917 CA 1.378 13 residues pruned to eliminate duplicates Z: 37 20.330 1.890 0.648 0.463 0.917 0.694 CB 1.232 9 residues pruned to eliminate duplicates Z: 13 13.980 1.831 0.521 0.810 0.917 0.750 CB 1.207 Z: 14 18.267 1.975 0.388 0.815 1.000 0.692 CB 1.405 14 residues pruned to eliminate duplicates Z: 23 31.509 2.059 0.670 0.838 1.000 0.864 CA 1.460 23 residues pruned to eliminate duplicates Z: 6 11.405 1.963 0.797 0.776 0.800 0.400 CA 1.417 6 residues pruned to eliminate duplicates Z: 13 22.593 1.899 1.057 0.869 0.917 0.833 CA 1.331 13 residues pruned to eliminate duplicates Z: 12 8.664 1.889 0.577 0.386 0.818 0.545 CA 1.211 Z: 14 24.586 1.854 1.012 0.838 1.000 0.769 CA 1.366 13 residues pruned to eliminate duplicates Z: 13 19.809 2.023 0.704 0.852 1.000 1.000 CA 1.227 13 residues pruned to eliminate duplicates Z: 12 18.413 1.889 0.834 0.812 1.000 0.818 CB 1.221 11 residues pruned to eliminate duplicates Z: 13 19.977 1.917 0.841 0.840 0.917 0.500 CA 1.330 13 residues pruned to eliminate duplicates Z: 22 31.851 2.051 0.700 0.906 1.000 0.810 CB 1.418 22 residues pruned to eliminate duplicates Z: 7 5.280 1.804 0.429 0.526 0.667 0.667 CB 1.223 7 residues pruned to eliminate duplicates Z: 12 17.707 1.812 0.773 0.825 0.818 0.727 N 1.533 12 residues pruned to eliminate duplicates Z: 15 16.818 1.949 1.119 0.369 0.929 0.429 CB 1.349 Z: 39 17.350 1.901 0.482 0.447 0.895 0.605 CB 1.179 36 residues pruned to eliminate duplicates Z: 26 13.828 1.966 0.466 0.386 0.880 0.560 CB 1.231 26 residues pruned to eliminate duplicates Z: 13 19.882 1.890 1.009 0.843 0.917 0.917 CA 1.228 13 residues pruned to eliminate duplicates Z: 6 5.497 1.824 0.183 0.461 0.800 0.600 CA 1.483 Z: 12 10.252 1.908 0.556 0.523 0.727 0.636 CA 1.399 12 residues pruned to eliminate duplicates Z: 23 27.565 1.970 0.684 0.856 1.000 0.636 CA 1.306 23 residues pruned to eliminate duplicates Z: 22 20.626 1.952 0.588 0.847 0.857 0.571 CB 1.258 22 residues pruned to eliminate duplicates Z: 9 9.251 1.720 0.116 0.869 1.000 1.000 CB 1.244 9 residues pruned to eliminate duplicates Z: 24 22.404 1.905 0.522 0.807 0.957 0.783 CA 1.289 22 residues pruned to eliminate duplicates Z: 43 37.140 2.073 0.904 0.534 0.976 0.548 CB 1.438 28 residues pruned to eliminate duplicates Z: 33 39.615 2.069 0.917 0.710 1.000 0.594 CA 1.460 33 residues pruned to eliminate duplicates Z: 14 21.970 1.896 0.850 0.834 1.000 0.846 CA 1.302 14 residues pruned to eliminate duplicates Z: 14 18.754 1.844 0.892 0.876 0.923 0.615 CB 1.174 12 residues pruned to eliminate duplicates Z: 12 7.480 1.641 0.587 0.599 0.727 0.545 CB 1.084 Z: 21 14.761 1.919 0.117 0.866 0.950 0.800 CA 1.186 21 residues pruned to eliminate duplicates Z: 42 36.759 2.116 0.861 0.515 0.951 0.610 CA 1.510 13 residues pruned to eliminate duplicates Z: 12 31.566 2.195 1.022 0.881 1.000 0.818 CA 1.553 12 residues pruned to eliminate duplicates Z: 8 11.494 1.773 0.647 0.719 0.857 0.429 O 1.424 6 residues pruned to eliminate duplicates Z: 56 31.398 1.962 0.560 0.606 0.909 0.800 CB 1.375 51 residues pruned to eliminate duplicates Z: 12 21.393 1.979 0.784 0.874 1.000 0.727 CB 1.330 13 residues pruned to eliminate duplicates Z: 23 32.069 1.999 0.896 0.876 1.000 0.818 CA 1.311 23 residues pruned to eliminate duplicates Z: 6 3.079 1.441 0.569 0.314 0.800 0.600 CB 0.935 Z: 56 30.453 1.962 0.624 0.566 0.927 0.618 CB 1.303 14 residues pruned to eliminate duplicates Z: 51 38.415 1.999 0.643 0.710 1.000 0.740 CB 1.367 52 residues pruned to eliminate duplicates Z: 13 16.084 1.763 0.441 0.825 1.000 0.750 CA 1.379 13 residues pruned to eliminate duplicates Z: 7 9.262 1.788 0.421 0.810 0.833 0.500 CA 1.364 7 residues pruned to eliminate duplicates Z: 13 20.638 2.014 0.743 0.880 1.000 0.917 CA 1.230 13 residues pruned to eliminate duplicates Z: 9 8.402 1.585 0.541 0.757 0.875 0.500 CB 1.106 9 residues pruned to eliminate duplicates Z: 23 30.226 2.025 0.700 0.883 1.000 0.864 CA 1.353 23 residues pruned to eliminate duplicates Z: 12 18.661 1.950 1.136 0.838 0.909 0.727 CB 1.111 12 residues pruned to eliminate duplicates Z: 41 37.345 2.110 0.755 0.583 0.950 0.575 CB 1.551 42 residues pruned to eliminate duplicates Z: 22 26.528 1.960 0.633 0.871 1.000 0.762 CB 1.319 23 residues pruned to eliminate duplicates Z: 22 35.278 2.028 1.090 0.894 0.952 0.524 CA 1.368 Z: 23 25.860 2.077 0.387 0.831 1.000 0.636 CA 1.438 23 residues pruned to eliminate duplicates Z: 23 35.167 1.968 1.147 0.877 1.000 0.636 CA 1.289 22 residues pruned to eliminate duplicates Z: 12 23.640 2.083 0.926 0.901 0.909 0.636 CB 1.395 12 residues pruned to eliminate duplicates Z: 13 18.400 1.915 0.601 0.852 1.000 0.750 CA 1.282 13 residues pruned to eliminate duplicates Z: 53 36.606 1.977 0.680 0.642 0.962 0.731 CB 1.392 51 residues pruned to eliminate duplicates Z: 23 24.481 1.997 0.442 0.865 1.000 1.000 CA 1.327 24 residues pruned to eliminate duplicates Z: 14 25.433 2.017 0.880 0.829 0.923 0.538 CA 1.516 14 residues pruned to eliminate duplicates Z: 7 16.365 1.997 0.918 0.811 1.000 0.667 CB 1.330 7 residues pruned to eliminate duplicates Z: 18 15.202 1.694 0.702 0.733 0.824 0.706 CA 1.259 18 residues pruned to eliminate duplicates Z: 14 8.660 1.796 0.358 0.565 0.846 0.538 CB 1.092 12 residues pruned to eliminate duplicates Z: 13 21.350 1.955 0.910 0.880 0.917 0.667 CA 1.305 13 residues pruned to eliminate duplicates Z: 31 17.102 1.805 0.499 0.506 0.967 0.567 CB 1.186 11 residues pruned to eliminate duplicates Z: 12 9.030 1.548 0.504 0.705 0.909 0.636 CA 1.068 12 residues pruned to eliminate duplicates Z: 17 22.150 2.107 0.973 0.366 0.938 0.438 CB 1.640 17 residues pruned to eliminate duplicates Z: 8 9.258 1.827 0.604 0.855 1.000 1.000 CB 0.881 8 residues pruned to eliminate duplicates Z: 12 20.724 1.930 0.783 0.927 1.000 0.818 CB 1.273 11 residues pruned to eliminate duplicates Z: 12 18.976 1.860 0.987 0.843 1.000 0.727 CB 1.152 12 residues pruned to eliminate duplicates Z: 42 24.018 1.924 0.531 0.544 0.878 0.659 CB 1.389 20 residues pruned to eliminate duplicates Z: 46 32.837 1.993 0.716 0.581 0.911 0.689 CA 1.452 45 residues pruned to eliminate duplicates Z: 13 23.635 1.922 1.014 0.867 1.000 0.833 CA 1.290 13 residues pruned to eliminate duplicates Z: 23 28.929 1.972 0.772 0.881 1.000 0.864 CA 1.278 23 residues pruned to eliminate duplicates Z: 9 16.450 1.960 0.949 0.567 1.000 0.375 N 1.427 9 residues pruned to eliminate duplicates Z: 7 7.811 1.862 0.299 0.529 1.000 0.500 CA 1.280 Z: 22 25.511 1.977 0.622 0.869 0.952 0.619 CB 1.331 22 residues pruned to eliminate duplicates Z: 8 7.591 1.757 0.377 0.491 0.857 0.429 O 1.395 8 residues pruned to eliminate duplicates Z: 48 28.765 2.002 0.505 0.613 0.936 0.723 CB 1.337 21 residues pruned to eliminate duplicates Z: 11 18.188 1.964 0.436 0.910 1.000 1.000 CB 1.446 11 residues pruned to eliminate duplicates Z: 8 16.173 1.854 0.925 0.818 1.000 0.571 CB 1.300 8 residues pruned to eliminate duplicates Z: 22 30.554 2.068 0.588 0.890 1.000 0.857 CB 1.460 22 residues pruned to eliminate duplicates Z: 75 41.103 1.998 0.778 0.606 0.919 0.527 CB 1.324 77 residues pruned to eliminate duplicates Z: 15 15.781 1.702 0.427 0.824 1.000 0.929 CB 1.312 15 residues pruned to eliminate duplicates Z: 24 22.970 1.934 0.464 0.822 1.000 0.652 CA 1.279 24 residues pruned to eliminate duplicates Z: 11 22.009 2.044 1.207 0.916 1.000 0.900 CB 1.090 12 residues pruned to eliminate duplicates Z: 14 20.907 1.951 0.856 0.813 0.846 0.615 CA 1.441 14 residues pruned to eliminate duplicates Z: 23 28.374 2.011 0.642 0.855 1.000 0.864 CA 1.352 23 residues pruned to eliminate duplicates Z: 13 19.742 1.808 0.703 0.835 1.000 0.750 CA 1.387 12 residues pruned to eliminate duplicates Z: 11 22.429 2.047 0.957 0.914 1.000 0.700 CB 1.252 12 residues pruned to eliminate duplicates Z: 12 22.577 1.997 0.920 0.857 0.909 0.727 CA 1.440 12 residues pruned to eliminate duplicates Z: 32 24.711 1.978 0.884 0.484 0.871 0.387 CB 1.390 13 residues pruned to eliminate duplicates Z: 23 29.817 2.045 0.576 0.895 1.000 0.864 CA 1.414 23 residues pruned to eliminate duplicates Z: 17 6.703 1.563 0.361 0.402 0.875 0.500 CB 0.998 Z: 12 20.881 2.111 0.673 0.826 0.909 0.636 CA 1.478 12 residues pruned to eliminate duplicates Z: 9 6.207 1.698 0.399 0.463 0.875 0.375 CB 1.096 Z: 45 28.509 2.005 0.580 0.560 0.932 0.659 CA 1.373 42 residues pruned to eliminate duplicates Z: 12 17.467 1.941 0.578 0.894 1.000 1.000 CA 1.234 12 residues pruned to eliminate duplicates Z: 26 14.266 1.964 0.614 0.326 0.800 0.520 CB 1.362 26 residues pruned to eliminate duplicates Z: 33 24.031 1.920 0.541 0.586 0.938 0.750 CB 1.409 13 residues pruned to eliminate duplicates Z: 22 36.583 2.021 1.025 0.871 1.000 0.667 CA 1.422 22 residues pruned to eliminate duplicates Z: 22 37.384 2.051 0.956 0.862 1.000 0.762 CA 1.493 22 residues pruned to eliminate duplicates Z: 12 20.063 1.915 0.775 0.865 1.000 0.636 CB 1.304 12 residues pruned to eliminate duplicates Z: 19 14.508 1.959 0.463 0.461 0.833 0.611 CB 1.490 19 residues pruned to eliminate duplicates Z: 6 13.549 1.832 0.736 0.802 1.000 1.000 CB 1.464 Z: 29 11.621 1.831 0.465 0.341 0.857 0.464 CB 1.135 8 residues pruned to eliminate duplicates Z: 7 3.171 1.742 0.242 0.436 0.667 0.333 CB 0.959 Z: 13 27.196 2.059 0.761 0.881 1.000 0.833 CB 1.567 13 residues pruned to eliminate duplicates Z: 23 20.266 1.886 0.620 0.601 0.909 0.545 CB 1.413 17 residues pruned to eliminate duplicates Z: 24 18.353 1.961 0.585 0.488 0.870 0.696 CB 1.433 24 residues pruned to eliminate duplicates Z: 14 7.948 1.751 0.549 0.339 0.846 0.615 CA 1.145 14 residues pruned to eliminate duplicates Z: 13 19.715 1.886 1.017 0.850 0.917 0.917 CA 1.209 13 residues pruned to eliminate duplicates Z: 41 30.797 1.978 0.577 0.639 0.950 0.600 CA 1.443 41 residues pruned to eliminate duplicates Z: 23 15.430 1.933 0.549 0.425 0.864 0.591 CB 1.376 12 residues pruned to eliminate duplicates Z: 14 9.156 1.683 0.606 0.581 0.692 0.231 CB 1.255 Z: 37 21.382 1.981 0.631 0.494 0.889 0.472 CB 1.249 14 residues pruned to eliminate duplicates Z: 22 30.341 2.039 0.655 0.876 1.000 0.857 CB 1.426 22 residues pruned to eliminate duplicates Z: 12 14.432 1.795 0.692 0.896 1.000 0.818 CB 1.025 12 residues pruned to eliminate duplicates Z: 26 20.361 1.926 0.313 0.794 0.920 0.720 CB 1.353 26 residues pruned to eliminate duplicates Z: 57 33.987 1.948 0.538 0.646 0.946 0.714 CB 1.398 57 residues pruned to eliminate duplicates Z: 34 19.622 1.938 0.464 0.495 0.879 0.636 CB 1.377 34 residues pruned to eliminate duplicates Z: 13 22.767 1.924 1.148 0.816 0.917 0.667 CA 1.319 13 residues pruned to eliminate duplicates Z: 9 9.913 1.983 0.199 0.540 1.000 0.375 CA 1.417 14 residues pruned to eliminate duplicates Z: 22 28.467 1.969 0.764 0.830 1.000 0.571 CB 1.344 23 residues pruned to eliminate duplicates Z: 12 13.661 1.649 0.476 0.889 0.909 0.818 CA 1.340 12 residues pruned to eliminate duplicates Z: 13 16.143 1.849 0.423 0.854 0.917 0.583 CB 1.427 13 residues pruned to eliminate duplicates Z: 22 22.127 2.017 0.230 0.904 1.000 0.905 CA 1.386 22 residues pruned to eliminate duplicates Z: 14 13.573 1.853 0.514 0.783 0.923 0.846 CA 1.133 12 residues pruned to eliminate duplicates Z: 40 35.128 2.040 0.906 0.523 0.949 0.462 CB 1.490 41 residues pruned to eliminate duplicates Z: 14 12.585 1.791 0.328 0.768 0.923 0.615 CB 1.253 14 residues pruned to eliminate duplicates Z: 24 25.329 1.979 0.601 0.865 1.000 0.870 CA 1.221 24 residues pruned to eliminate duplicates Z: 15 17.219 1.688 0.757 0.857 0.929 0.643 CA 1.232 15 residues pruned to eliminate duplicates Z: 44 30.202 1.992 0.751 0.581 0.907 0.698 CA 1.347 46 residues pruned to eliminate duplicates Z: 12 14.695 1.715 0.427 0.861 1.000 0.727 CA 1.330 11 residues pruned to eliminate duplicates Z: 37 25.343 1.943 0.814 0.459 0.917 0.583 CA 1.364 35 residues pruned to eliminate duplicates Z: 12 11.258 1.668 0.272 0.848 1.000 0.818 CB 1.186 Z: 13 10.235 1.751 0.269 0.789 0.917 0.667 CA 1.125 13 residues pruned to eliminate duplicates Z: 10 11.909 1.806 0.327 0.844 0.889 0.778 CB 1.387 10 residues pruned to eliminate duplicates Z: 15 22.217 1.958 0.917 0.767 0.929 0.643 CB 1.344 11 residues pruned to eliminate duplicates Z: 36 19.198 1.870 0.608 0.411 0.886 0.486 CB 1.337 36 residues pruned to eliminate duplicates Z: 46 26.115 1.956 0.672 0.528 0.911 0.578 CB 1.270 46 residues pruned to eliminate duplicates Z: 23 32.814 1.959 1.026 0.843 0.955 0.682 CB 1.375 23 residues pruned to eliminate duplicates Z: 23 26.647 1.999 0.673 0.832 0.955 0.727 CA 1.335 23 residues pruned to eliminate duplicates Z: 12 14.376 1.945 0.610 0.884 0.909 0.818 CB 1.100 12 residues pruned to eliminate duplicates Z: 19 14.343 1.764 0.568 0.546 0.889 0.444 CB 1.315 10 residues pruned to eliminate duplicates Z: 46 32.127 1.977 0.778 0.579 0.933 0.622 CA 1.353 45 residues pruned to eliminate duplicates Z: 12 20.371 1.985 0.730 0.825 0.909 0.727 CA 1.484 12 residues pruned to eliminate duplicates Z: 23 30.121 2.025 0.728 0.877 0.955 0.773 CA 1.396 23 residues pruned to eliminate duplicates Z: 36 23.067 1.883 0.511 0.541 0.914 0.686 CB 1.439 36 residues pruned to eliminate duplicates Z: 37 30.963 2.001 0.780 0.585 0.944 0.722 CB 1.414 40 residues pruned to eliminate duplicates Z: 11 14.311 1.847 0.368 0.900 1.000 0.900 CA 1.279 11 residues pruned to eliminate duplicates Z: 11 22.742 1.876 0.756 0.857 1.000 0.800 CB 1.608 11 residues pruned to eliminate duplicates Z: 11 3.953 1.548 0.457 0.289 0.900 0.600 CB 0.780 10 residues pruned to eliminate duplicates Z: 23 23.329 1.916 0.430 0.860 1.000 0.773 CA 1.334 22 residues pruned to eliminate duplicates Z: 14 14.430 1.741 0.496 0.886 0.923 0.769 CB 1.200 14 residues pruned to eliminate duplicates Z: 23 22.308 1.829 0.417 0.891 1.000 0.955 CA 1.320 23 residues pruned to eliminate duplicates Z: 51 28.646 1.973 0.452 0.656 0.880 0.600 CB 1.390 52 residues pruned to eliminate duplicates Z: 24 28.093 1.921 0.665 0.856 1.000 0.739 CB 1.351 22 residues pruned to eliminate duplicates Z: 46 29.047 1.985 0.640 0.570 0.911 0.622 CB 1.365 46 residues pruned to eliminate duplicates Z: 14 17.968 1.738 0.834 0.837 0.923 0.846 CA 1.267 14 residues pruned to eliminate duplicates Z: 13 19.852 1.962 0.797 0.861 0.917 0.750 CB 1.303 13 residues pruned to eliminate duplicates Z: 12 23.121 2.115 0.610 0.869 1.000 0.909 CA 1.495 12 residues pruned to eliminate duplicates Z: 24 35.265 1.978 0.947 0.872 1.000 0.609 CA 1.392 23 residues pruned to eliminate duplicates Z: 27 16.652 1.867 0.640 0.506 0.846 0.500 CB 1.253 27 residues pruned to eliminate duplicates Z: 9 3.723 1.555 0.132 0.422 0.875 0.500 CA 0.927 Z: 22 30.914 2.060 0.698 0.894 0.952 0.857 CA 1.453 22 residues pruned to eliminate duplicates Z: 20 24.550 2.013 0.500 0.867 1.000 0.684 CA 1.364 20 residues pruned to eliminate duplicates Z: 11 10.319 1.574 0.443 0.883 0.900 0.900 CB 1.154 Z: 10 4.901 1.769 0.183 0.387 0.778 0.667 CA 1.132 Z: 29 14.544 1.843 0.464 0.389 0.857 0.607 CB 1.337 29 residues pruned to eliminate duplicates Z: 11 17.730 1.960 0.623 0.933 1.000 0.800 CB 1.230 11 residues pruned to eliminate duplicates Z: 22 23.548 1.985 0.544 0.859 0.952 0.524 CB 1.295 22 residues pruned to eliminate duplicates Z: 23 25.403 1.822 0.500 0.871 1.000 0.864 CB 1.445 23 residues pruned to eliminate duplicates Z: 23 21.890 1.929 0.483 0.800 0.909 0.682 CA 1.380 23 residues pruned to eliminate duplicates Z: 21 21.876 1.923 0.463 0.868 1.000 0.800 CA 1.271 21 residues pruned to eliminate duplicates Z: 40 17.798 1.903 0.473 0.398 0.923 0.590 CB 1.226 40 residues pruned to eliminate duplicates Z: 8 12.492 1.917 0.529 0.872 0.857 0.857 CB 1.369 8 residues pruned to eliminate duplicates Z: 23 35.916 2.082 0.869 0.856 0.955 0.636 CA 1.520 23 residues pruned to eliminate duplicates Z: 7 3.712 1.569 0.237 0.515 0.833 0.833 CB 0.923 Z: 7 5.693 1.885 0.340 0.862 1.000 0.667 CB 0.676 Z: 7 8.423 1.764 0.286 0.707 1.000 0.333 CA 1.256 7 residues pruned to eliminate duplicates Z: 11 10.195 1.857 0.443 0.528 0.800 0.700 CB 1.463 10 residues pruned to eliminate duplicates Z: 23 21.529 1.943 0.449 0.863 1.000 0.864 CA 1.196 23 residues pruned to eliminate duplicates 8 1.881 1.201 0.370 0.224 0.714 0.571 C 0.836 ? Z: 43 37.078 2.075 0.911 0.532 0.976 0.524 CB 1.431 43 residues pruned to eliminate duplicates Z: 23 11.484 1.772 0.644 0.486 0.909 0.591 CB 0.937 12 residues pruned to eliminate duplicates Z: 23 35.968 2.065 0.826 0.896 1.000 0.955 CA 1.457 23 residues pruned to eliminate duplicates Z: 42 20.555 1.837 0.648 0.444 0.902 0.488 CB 1.244 Z: 10 9.950 1.777 0.462 0.896 1.000 0.889 CB 0.914 10 residues pruned to eliminate duplicates Z: 40 32.569 2.080 0.923 0.523 0.923 0.564 CB 1.382 41 residues pruned to eliminate duplicates Z: 12 25.473 1.956 0.925 0.915 1.000 0.727 CB 1.441 12 residues pruned to eliminate duplicates Z: 11 19.569 1.965 0.649 0.922 1.000 0.900 CB 1.344 11 residues pruned to eliminate duplicates Z: 11 8.337 1.805 0.862 0.565 0.900 0.600 CB 0.818 11 residues pruned to eliminate duplicates Z: 17 19.165 1.957 0.318 0.852 1.000 0.688 CA 1.375 17 residues pruned to eliminate duplicates Z: 15 15.163 1.736 0.355 0.873 1.000 0.786 CA 1.255 15 residues pruned to eliminate duplicates Z: 22 34.194 2.020 0.997 0.882 1.000 0.714 CA 1.338 22 residues pruned to eliminate duplicates Z: 13 9.404 1.838 0.312 0.490 0.833 0.500 CB 1.365 13 residues pruned to eliminate duplicates Z: 17 9.230 1.812 0.521 0.487 0.875 0.500 CB 0.969 17 residues pruned to eliminate duplicates Z: 22 31.567 2.015 0.936 0.865 1.000 0.619 CA 1.294 22 residues pruned to eliminate duplicates Z: 41 35.633 2.073 0.916 0.557 0.925 0.450 CB 1.451 41 residues pruned to eliminate duplicates Z: 61 30.007 1.967 0.441 0.612 0.883 0.617 CB 1.392 61 residues pruned to eliminate duplicates Z: 38 28.168 1.981 0.960 0.491 0.919 0.541 CB 1.310 27 residues pruned to eliminate duplicates Z: 20 8.688 1.654 0.503 0.439 0.842 0.421 CB 1.014 20 residues pruned to eliminate duplicates Z: 11 16.883 2.058 1.118 0.904 0.900 0.700 CB 0.970 11 residues pruned to eliminate duplicates Z: 23 17.511 1.897 0.136 0.887 1.000 0.818 CA 1.249 23 residues pruned to eliminate duplicates Z: 10 7.753 1.693 0.340 0.400 1.000 0.778 CA 1.265 Z: 38 27.769 2.010 0.754 0.536 0.892 0.622 CB 1.401 38 residues pruned to eliminate duplicates Z: 23 22.425 1.961 0.587 0.819 0.864 0.545 CB 1.349 23 residues pruned to eliminate duplicates Z: 22 18.511 1.889 0.239 0.853 0.952 0.905 CA 1.340 22 residues pruned to eliminate duplicates Z: 21 22.645 1.962 0.568 0.882 0.900 0.850 CA 1.323 21 residues pruned to eliminate duplicates Z: 7 11.109 1.759 0.436 0.830 1.000 0.667 CB 1.350 7 residues pruned to eliminate duplicates Z: 24 27.679 1.996 0.691 0.833 0.957 0.652 CA 1.340 24 residues pruned to eliminate duplicates Z: 12 11.069 1.911 0.397 0.508 0.818 0.727 CB 1.515 12 residues pruned to eliminate duplicates Z: 12 24.374 2.038 0.969 0.886 0.909 0.545 CB 1.454 12 residues pruned to eliminate duplicates Z: 45 18.308 1.800 0.464 0.478 0.932 0.500 CB 1.150 40 residues pruned to eliminate duplicates Z: 14 12.743 1.895 0.468 0.588 1.000 0.769 CB 1.168 14 residues pruned to eliminate duplicates Z: 24 24.655 2.003 0.346 0.905 1.000 0.870 CA 1.357 24 residues pruned to eliminate duplicates Z: 37 27.318 1.918 0.608 0.623 0.944 0.750 CB 1.391 34 residues pruned to eliminate duplicates Z: 13 19.303 1.937 0.574 0.866 1.000 1.000 CA 1.338 13 residues pruned to eliminate duplicates Z: 13 11.805 1.900 0.584 0.472 1.000 0.667 CB 1.165 13 residues pruned to eliminate duplicates Z: 6 7.117 1.663 0.360 0.795 1.000 0.800 CA 1.087 6 residues pruned to eliminate duplicates Z: 30 19.048 1.951 0.511 0.430 0.931 0.517 CA 1.387 22 residues pruned to eliminate duplicates Z: 10 10.801 1.822 0.219 0.774 1.000 0.778 CA 1.273 10 residues pruned to eliminate duplicates Z: 22 25.769 1.971 0.557 0.841 1.000 0.714 CA 1.366 22 residues pruned to eliminate duplicates Z: 14 21.861 1.781 0.875 0.858 1.000 0.769 CA 1.337 14 residues pruned to eliminate duplicates Z: 9 8.430 1.808 0.884 0.523 0.750 0.500 CA 1.141 9 residues pruned to eliminate duplicates Z: 11 12.510 1.895 0.726 0.910 1.000 0.900 CB 0.858 11 residues pruned to eliminate duplicates Z: 24 27.521 1.959 0.707 0.837 0.957 0.609 CA 1.342 24 residues pruned to eliminate duplicates Z: 8 5.228 1.656 -0.063 0.825 0.857 0.571 CB 1.121 8 residues pruned to eliminate duplicates Z: 24 26.053 1.962 0.735 0.838 0.913 0.783 CA 1.307 24 residues pruned to eliminate duplicates Z: 23 28.784 1.893 0.890 0.883 1.000 0.727 CB 1.241 23 residues pruned to eliminate duplicates Z: 11 13.697 1.734 0.538 0.892 1.000 0.800 CA 1.167 11 residues pruned to eliminate duplicates Z: 24 13.569 1.923 0.473 0.479 0.826 0.522 CB 1.236 24 residues pruned to eliminate duplicates Z: 12 11.162 1.858 0.334 0.576 1.000 0.636 CB 1.262 12 residues pruned to eliminate duplicates Z: 13 12.599 1.814 0.429 0.650 0.917 0.417 N 1.331 16 residues pruned to eliminate duplicates Z: 36 23.038 1.974 0.585 0.543 0.914 0.657 CB 1.306 36 residues pruned to eliminate duplicates Z: 20 13.825 1.800 0.440 0.580 0.895 0.684 CB 1.266 20 residues pruned to eliminate duplicates Z: 23 26.280 1.999 0.609 0.848 1.000 0.682 CA 1.292 23 residues pruned to eliminate duplicates Z: 15 13.466 1.738 0.339 0.827 0.929 0.714 CB 1.256 15 residues pruned to eliminate duplicates Z: 12 14.297 1.811 0.577 0.841 0.909 0.818 CB 1.238 12 residues pruned to eliminate duplicates Z: 23 27.085 1.941 0.665 0.858 1.000 0.682 CA 1.316 22 residues pruned to eliminate duplicates Z: 7 16.019 1.886 1.069 0.823 1.000 0.833 CA 1.267 7 residues pruned to eliminate duplicates Z: 9 8.302 1.928 -0.006 0.660 0.875 0.750 CA 1.509 9 residues pruned to eliminate duplicates Z: 23 16.088 1.841 0.744 0.506 0.818 0.591 CA 1.298 23 residues pruned to eliminate duplicates Z: 24 14.803 1.830 0.703 0.391 0.957 0.478 CB 1.162 20 residues pruned to eliminate duplicates Z: 24 26.988 1.993 0.590 0.864 0.957 0.870 CA 1.361 24 residues pruned to eliminate duplicates Z: 10 6.497 1.757 0.510 0.377 0.889 0.444 N 1.047 10 residues pruned to eliminate duplicates Z: 8 2.395 1.489 0.355 0.553 0.857 0.429 CB 0.497 6 1.884 1.449 0.204 0.409 0.600 0.400 CB 0.886 ? Z: 57 30.246 1.939 0.609 0.622 0.946 0.571 CB 1.220 60 residues pruned to eliminate duplicates Z: 29 23.009 1.951 0.624 0.619 0.893 0.679 CB 1.373 29 residues pruned to eliminate duplicates Z: 15 22.891 1.915 0.852 0.873 0.929 0.786 CA 1.353 15 residues pruned to eliminate duplicates Z: 43 34.989 2.073 0.877 0.539 0.976 0.571 CB 1.367 43 residues pruned to eliminate duplicates Z: 37 17.322 1.838 0.521 0.468 0.889 0.583 CB 1.200 28 residues pruned to eliminate duplicates Z: 13 19.250 1.837 0.683 0.905 0.917 0.667 CA 1.396 19 residues pruned to eliminate duplicates Z: 37 26.241 1.967 0.838 0.497 0.889 0.528 CA 1.365 37 residues pruned to eliminate duplicates Z: 20 13.845 1.990 0.557 0.444 0.842 0.474 CB 1.289 20 residues pruned to eliminate duplicates Z: 15 16.009 1.844 0.509 0.741 0.929 0.786 CB 1.334 17 residues pruned to eliminate duplicates Z: 11 9.993 1.912 0.223 0.442 1.000 0.300 CA 1.433 11 residues pruned to eliminate duplicates Z: 22 27.352 1.995 0.597 0.861 0.952 0.571 CB 1.446 22 residues pruned to eliminate duplicates Z: 12 12.254 1.887 0.827 0.435 0.909 0.818 CA 1.261 Z: 7 9.044 1.773 0.750 0.535 0.833 0.500 CB 1.379 Z: 14 10.842 1.806 0.457 0.571 0.846 0.462 CB 1.261 13 residues pruned to eliminate duplicates Z: 27 17.267 1.942 0.693 0.528 0.808 0.577 CB 1.240 26 residues pruned to eliminate duplicates Z: 15 13.483 1.860 0.758 0.527 1.000 0.500 CB 1.073 Z: 13 23.071 1.910 0.884 0.833 1.000 0.583 CB 1.389 13 residues pruned to eliminate duplicates Z: 21 15.937 1.789 0.486 0.523 0.950 0.600 CA 1.380 16 residues pruned to eliminate duplicates Z: 23 21.454 1.980 0.422 0.844 0.955 0.818 CA 1.266 24 residues pruned to eliminate duplicates Z: 11 15.220 1.966 0.486 0.887 1.000 0.900 CB 1.188 11 residues pruned to eliminate duplicates Z: 44 26.136 1.963 0.697 0.493 0.884 0.651 CA 1.363 44 residues pruned to eliminate duplicates Z: 12 17.398 1.975 0.455 0.826 1.000 0.727 CA 1.376 12 residues pruned to eliminate duplicates Z: 25 17.778 1.954 0.636 0.436 0.875 0.625 CB 1.386 25 residues pruned to eliminate duplicates Z: 21 8.248 1.739 0.554 0.372 0.750 0.350 CB 1.044 3 residues pruned to eliminate duplicates Z: 22 15.821 1.955 0.410 0.523 0.857 0.667 CB 1.429 22 residues pruned to eliminate duplicates Z: 40 35.810 2.061 0.798 0.567 0.974 0.641 CB 1.489 40 residues pruned to eliminate duplicates Z: 39 20.620 1.932 0.601 0.394 0.868 0.474 CB 1.392 38 residues pruned to eliminate duplicates Z: 24 20.184 1.950 0.223 0.865 1.000 0.870 CA 1.293 24 residues pruned to eliminate duplicates Z: 12 26.422 1.995 1.143 0.868 1.000 0.818 CA 1.362 12 residues pruned to eliminate duplicates Z: 11 12.772 2.041 0.329 0.743 0.800 0.600 CA 1.497 11 residues pruned to eliminate duplicates Z: 40 23.529 1.970 0.455 0.554 0.923 0.769 CB 1.351 40 residues pruned to eliminate duplicates Z: 11 11.876 1.927 0.470 0.902 0.900 0.800 CB 1.051 11 residues pruned to eliminate duplicates Z: 25 15.451 1.892 0.522 0.423 0.875 0.625 CA 1.357 25 residues pruned to eliminate duplicates Z: 6 4.989 1.491 0.084 0.712 1.000 0.600 CA 1.139 6 residues pruned to eliminate duplicates Z: 10 6.362 1.714 0.474 0.314 0.889 0.444 CB 1.160 7 residues pruned to eliminate duplicates Z: 16 7.591 1.767 0.193 0.686 0.800 0.667 CB 0.980 16 residues pruned to eliminate duplicates Z: 23 17.212 1.950 0.463 0.575 0.955 0.591 CB 1.254 21 residues pruned to eliminate duplicates Z: 9 8.241 1.902 0.080 0.681 0.875 0.875 CA 1.373 8 residues pruned to eliminate duplicates Z: 32 22.108 1.979 0.380 0.620 0.968 0.645 CB 1.342 32 residues pruned to eliminate duplicates Z: 15 14.636 1.957 0.276 0.708 0.929 0.571 CB 1.397 15 residues pruned to eliminate duplicates Z: 42 34.404 2.084 0.817 0.549 0.927 0.561 CB 1.460 42 residues pruned to eliminate duplicates Z: 12 17.034 1.884 0.747 0.894 0.909 0.909 CA 1.232 12 residues pruned to eliminate duplicates Z: 12 13.509 1.840 0.601 0.720 0.909 0.727 CA 1.247 12 residues pruned to eliminate duplicates Z: 6 4.048 1.499 0.514 0.436 1.000 0.400 CB 0.852 Z: 14 20.925 1.904 0.869 0.866 1.000 0.769 CB 1.194 14 residues pruned to eliminate duplicates Z: 22 30.053 1.995 0.751 0.892 1.000 0.667 CB 1.349 22 residues pruned to eliminate duplicates Z: 15 28.993 1.939 1.044 0.862 1.000 0.643 CB 1.435 15 residues pruned to eliminate duplicates Z: 12 16.468 1.888 0.475 0.856 1.000 0.727 CB 1.316 12 residues pruned to eliminate duplicates Z: 7 6.213 1.762 0.561 0.596 0.833 0.833 CB 1.010 Z: 53 35.473 1.987 0.567 0.672 0.962 0.808 CA 1.402 53 residues pruned to eliminate duplicates Z: 11 6.350 1.593 0.425 0.457 0.800 0.500 CB 1.155 11 residues pruned to eliminate duplicates Z: 6 8.700 1.690 0.490 0.723 1.000 1.000 CB 1.263 Z: 11 7.415 1.814 0.306 0.612 0.800 0.600 CB 1.113 11 residues pruned to eliminate duplicates Z: 17 10.498 1.719 0.404 0.665 0.875 0.438 CB 1.066 Z: 39 31.239 2.023 0.855 0.521 0.947 0.605 CB 1.396 46 residues pruned to eliminate duplicates Z: 7 4.984 1.658 0.228 0.733 0.833 0.667 CB 0.973 7 residues pruned to eliminate duplicates Z: 15 14.233 1.931 0.317 0.640 0.929 0.643 CB 1.413 15 residues pruned to eliminate duplicates Z: 10 5.944 1.797 0.357 0.339 0.778 0.667 CA 1.245 10 residues pruned to eliminate duplicates Z: 12 21.557 1.916 0.913 0.898 0.909 0.545 CA 1.396 12 residues pruned to eliminate duplicates Z: 43 35.550 2.079 0.838 0.543 0.976 0.619 CB 1.410 43 residues pruned to eliminate duplicates Z: 6 7.437 1.526 0.710 0.596 1.000 1.000 CB 1.163 Z: 26 16.323 1.898 0.625 0.479 0.920 0.640 CB 1.175 26 residues pruned to eliminate duplicates Z: 10 8.598 1.815 0.865 0.567 0.778 0.556 CB 1.021 Z: 53 26.143 1.889 0.381 0.632 0.942 0.712 CB 1.303 53 residues pruned to eliminate duplicates Z: 48 23.202 1.884 0.615 0.433 0.894 0.553 CB 1.335 90 residues pruned to eliminate duplicates Z: 13 21.354 1.890 0.659 0.876 1.000 0.583 CB 1.429 13 residues pruned to eliminate duplicates Z: 15 14.917 1.976 0.653 0.557 0.786 0.571 CB 1.470 15 residues pruned to eliminate duplicates Z: 23 30.531 2.079 0.677 0.841 0.955 0.773 CA 1.458 23 residues pruned to eliminate duplicates Z: 14 22.601 1.798 0.960 0.863 1.000 0.615 CB 1.305 14 residues pruned to eliminate duplicates Z: 24 18.929 1.929 0.420 0.876 1.000 0.870 CA 1.047 24 residues pruned to eliminate duplicates Z: 7 6.557 1.466 0.562 0.681 0.833 0.500 C 1.188 7 residues pruned to eliminate duplicates Z: 23 27.512 2.038 0.575 0.839 0.955 0.773 CA 1.429 23 residues pruned to eliminate duplicates Z: 14 7.550 1.736 0.329 0.466 0.846 0.462 CB 1.110 Z: 8 2.568 1.498 0.336 0.218 0.571 0.429 N 1.183 Z: 34 18.065 1.795 0.485 0.567 0.939 0.667 CB 1.176 34 residues pruned to eliminate duplicates Z: 22 30.805 2.014 0.757 0.859 1.000 0.762 CA 1.398 22 residues pruned to eliminate duplicates Z: 23 25.272 1.918 0.571 0.868 1.000 0.727 CB 1.308 23 residues pruned to eliminate duplicates Z: 11 7.645 1.791 0.231 0.661 1.000 0.700 CB 0.944 Z: 8 3.817 1.600 0.703 0.288 0.571 0.571 CB 1.176 Z: 12 16.371 1.912 0.556 0.832 1.000 0.909 CB 1.245 12 residues pruned to eliminate duplicates Z: 13 4.161 1.444 0.347 0.363 0.667 0.417 CA 1.074 13 residues pruned to eliminate duplicates Z: 45 27.018 1.928 0.553 0.585 0.932 0.545 CB 1.345 42 residues pruned to eliminate duplicates Z: 7 10.540 1.902 0.288 0.839 1.000 0.833 CA 1.311 Z: 42 29.921 1.978 0.897 0.465 0.902 0.512 CB 1.430 41 residues pruned to eliminate duplicates Z: 10 12.622 1.797 0.947 0.891 1.000 0.889 CB 0.864 10 residues pruned to eliminate duplicates Z: 14 19.510 1.770 0.891 0.866 0.923 0.615 CA 1.281 14 residues pruned to eliminate duplicates Z: 34 31.361 2.013 0.980 0.518 0.879 0.667 CB 1.531 34 residues pruned to eliminate duplicates Z: 21 20.360 1.913 0.496 0.837 0.950 0.800 CB 1.252 21 residues pruned to eliminate duplicates Z: 6 6.609 1.810 0.381 0.883 1.000 1.000 CB 0.855 6 residues pruned to eliminate duplicates Z: 12 14.422 1.874 0.971 0.581 1.000 0.545 CB 1.089 9 residues pruned to eliminate duplicates Z: 28 14.265 1.676 0.624 0.338 0.926 0.407 CB 1.300 31 residues pruned to eliminate duplicates Z: 10 7.658 1.862 0.373 0.600 0.667 0.444 CB 1.362 7 residues pruned to eliminate duplicates Z: 43 25.983 1.891 0.660 0.637 0.905 0.548 CB 1.242 45 residues pruned to eliminate duplicates Z: 7 7.425 1.601 0.436 0.819 1.000 0.833 CB 1.000 3 residues pruned to eliminate duplicates Z: 35 27.629 1.975 0.589 0.649 0.971 0.647 CB 1.353 35 residues pruned to eliminate duplicates Z: 9 2.353 1.288 0.331 0.476 0.875 0.750 CB 0.568 Z: 16 13.130 1.970 0.612 0.333 0.933 0.733 CA 1.372 16 residues pruned to eliminate duplicates Z: 6 6.571 1.902 0.469 0.761 0.600 0.600 CB 1.390 6 residues pruned to eliminate duplicates Z: 9 10.383 1.881 0.360 0.677 0.875 0.500 CA 1.393 9 residues pruned to eliminate duplicates Z: 36 19.363 1.894 0.607 0.452 0.886 0.686 CB 1.275 25 residues pruned to eliminate duplicates Z: 6 9.086 1.830 0.892 0.424 1.000 0.800 CB 1.270 6 residues pruned to eliminate duplicates Z: 24 30.454 1.949 1.026 0.866 0.957 0.478 CA 1.231 25 residues pruned to eliminate duplicates Z: 36 17.186 1.767 0.647 0.496 0.943 0.571 CB 1.063 21 residues pruned to eliminate duplicates Z: 42 21.957 1.913 0.505 0.529 0.878 0.634 CB 1.318 42 residues pruned to eliminate duplicates Z: 9 5.439 1.561 0.243 0.727 0.875 0.625 CB 0.923 9 residues pruned to eliminate duplicates Z: 23 34.225 2.006 0.813 0.892 1.000 0.500 CB 1.441 23 residues pruned to eliminate duplicates Z: 23 24.939 1.877 0.723 0.831 0.909 0.682 CA 1.359 24 residues pruned to eliminate duplicates Z: 11 16.146 1.913 0.320 0.862 1.000 0.800 CA 1.485 11 residues pruned to eliminate duplicates Z: 22 33.034 2.015 1.096 0.876 0.905 0.476 CA 1.371 22 residues pruned to eliminate duplicates Z: 12 24.328 1.929 1.322 0.824 0.909 0.818 CA 1.361 12 residues pruned to eliminate duplicates Z: 23 27.368 1.964 0.749 0.867 1.000 0.818 CA 1.242 23 residues pruned to eliminate duplicates Z: 15 3.980 1.533 0.422 0.142 0.714 0.357 CB 1.064 12 residues pruned to eliminate duplicates Z: 10 4.598 1.591 0.338 0.294 0.778 0.444 CA 1.166 9 residues pruned to eliminate duplicates Z: 14 16.420 1.832 0.667 0.857 0.923 0.846 CA 1.190 14 residues pruned to eliminate duplicates Z: 6 6.165 1.740 0.768 0.418 0.800 0.400 CB 1.220 6 residues pruned to eliminate duplicates Z: 27 15.329 1.987 0.533 0.437 0.923 0.731 CB 1.140 27 residues pruned to eliminate duplicates Z: 21 16.542 1.836 0.560 0.545 0.900 0.500 CB 1.374 15 residues pruned to eliminate duplicates Z: 7 4.353 1.652 -0.014 0.735 0.833 0.667 CB 1.060 7 residues pruned to eliminate duplicates Z: 12 13.556 1.928 0.535 0.790 0.909 0.818 CA 1.177 12 residues pruned to eliminate duplicates Z: 14 19.415 1.702 0.917 0.896 1.000 0.692 CB 1.182 14 residues pruned to eliminate duplicates Z: 20 17.815 2.052 0.874 0.462 0.842 0.421 CB 1.313 20 residues pruned to eliminate duplicates Z: 38 22.093 1.954 0.766 0.498 0.865 0.541 CB 1.220 39 residues pruned to eliminate duplicates Z: 24 10.067 1.841 0.244 0.425 0.913 0.609 CA 1.085 24 residues pruned to eliminate duplicates Z: 7 3.243 1.531 0.113 0.384 0.667 0.500 O 1.319 Z: 40 17.613 1.839 0.490 0.442 0.821 0.513 CB 1.330 40 residues pruned to eliminate duplicates Z: 8 8.168 1.712 0.910 0.486 0.714 0.429 CB 1.340 8 residues pruned to eliminate duplicates Z: 41 28.504 1.999 0.804 0.486 0.900 0.475 CB 1.408 41 residues pruned to eliminate duplicates Z: 29 25.990 1.998 0.886 0.540 0.964 0.536 CB 1.300 29 residues pruned to eliminate duplicates Z: 11 15.953 1.921 0.682 0.870 0.900 0.600 CB 1.266 11 residues pruned to eliminate duplicates Z: 10 8.534 1.860 0.483 0.564 0.778 0.778 CB 1.247 10 residues pruned to eliminate duplicates Z: 7 9.456 1.968 0.175 0.705 1.000 0.667 CA 1.386 7 residues pruned to eliminate duplicates Z: 9 9.106 1.593 0.352 0.904 1.000 1.000 CB 1.065 10 residues pruned to eliminate duplicates Z: 8 2.168 1.401 0.657 0.209 0.571 0.571 CB 0.872 Z: 22 32.027 2.034 0.867 0.879 0.952 0.810 CA 1.401 22 residues pruned to eliminate duplicates Z: 23 29.591 1.908 0.678 0.879 0.955 0.591 CA 1.497 23 residues pruned to eliminate duplicates Z: 11 3.079 1.503 0.621 0.147 0.600 0.400 N 1.030 Z: 14 7.884 1.570 0.545 0.465 0.846 0.308 N 1.104 14 residues pruned to eliminate duplicates Z: 38 18.223 1.860 0.449 0.468 0.892 0.649 CB 1.288 38 residues pruned to eliminate duplicates Z: 11 12.384 1.663 0.441 0.882 1.000 0.900 CA 1.182 22 residues pruned to eliminate duplicates 6 1.657 1.083 0.523 0.332 0.800 0.400 CB 0.675 ? Z: 19 18.449 2.035 0.935 0.398 0.833 0.333 CB 1.475 19 residues pruned to eliminate duplicates Z: 9 8.870 1.695 0.575 0.451 1.000 0.750 CB 1.235 Z: 13 9.104 1.796 0.571 0.514 0.833 0.500 CB 1.102 14 residues pruned to eliminate duplicates Z: 6 4.395 1.216 0.609 0.487 1.000 0.600 O 1.017 Z: 13 21.729 1.826 0.890 0.880 0.917 0.750 CB 1.437 13 residues pruned to eliminate duplicates Z: 7 9.565 1.371 1.004 0.609 1.000 0.833 CA 1.281 Z: 40 36.658 2.024 1.018 0.531 0.974 0.487 CB 1.431 40 residues pruned to eliminate duplicates Z: 35 27.629 2.005 0.844 0.622 0.853 0.500 CB 1.339 35 residues pruned to eliminate duplicates Z: 23 12.969 1.784 0.332 0.471 0.909 0.500 CB 1.318 20 residues pruned to eliminate duplicates Z: 43 34.730 2.080 0.911 0.481 0.929 0.548 CB 1.480 43 residues pruned to eliminate duplicates Z: 38 18.797 1.837 0.624 0.453 0.919 0.622 CB 1.183 38 residues pruned to eliminate duplicates Z: 13 19.117 1.904 0.596 0.913 1.000 0.917 CA 1.286 13 residues pruned to eliminate duplicates Z: 30 14.524 1.852 0.503 0.407 0.793 0.552 CB 1.346 26 residues pruned to eliminate duplicates Z: 7 5.742 1.468 0.702 0.564 1.000 0.500 CA 0.882 6 residues pruned to eliminate duplicates Z: 32 17.798 1.891 0.545 0.412 0.839 0.645 CA 1.431 32 residues pruned to eliminate duplicates Z: 7 8.733 1.750 0.261 0.867 1.000 1.000 CA 1.182 7 residues pruned to eliminate duplicates Z: 42 16.032 1.902 0.463 0.396 0.902 0.537 CB 1.113 42 residues pruned to eliminate duplicates Z: 39 29.282 2.030 0.817 0.529 0.895 0.421 CB 1.398 39 residues pruned to eliminate duplicates Z: 17 12.812 1.947 0.426 0.549 0.938 0.500 CB 1.173 17 residues pruned to eliminate duplicates Z: 10 11.260 1.749 0.379 0.757 1.000 0.778 CA 1.238 10 residues pruned to eliminate duplicates Z: 7 5.782 1.545 0.394 0.633 1.000 0.500 CB 0.968 Z: 11 16.368 2.015 0.368 0.906 1.000 1.000 CA 1.336 11 residues pruned to eliminate duplicates Z: 6 4.249 1.699 0.026 0.819 1.000 0.800 CB 0.826 6 residues pruned to eliminate duplicates Z: 10 9.029 1.853 0.661 0.438 0.889 0.556 CB 1.173 10 residues pruned to eliminate duplicates Z: 9 12.128 1.750 0.612 0.711 0.875 0.625 CA 1.435 11 residues pruned to eliminate duplicates Z: 10 4.659 1.736 0.125 0.475 0.778 0.556 CB 1.048 10 residues pruned to eliminate duplicates Z: 6 3.187 1.824 0.100 0.292 0.600 0.400 CA 1.496 Z: 10 6.443 1.837 0.428 0.420 0.667 0.444 CA 1.335 10 residues pruned to eliminate duplicates Z: 53 28.227 1.968 0.666 0.554 0.846 0.481 CB 1.339 53 residues pruned to eliminate duplicates Z: 27 19.920 1.999 0.633 0.434 0.962 0.615 CB 1.333 27 residues pruned to eliminate duplicates Z: 12 8.445 1.710 0.636 0.317 0.909 0.545 CB 1.225 11 residues pruned to eliminate duplicates Z: 22 17.981 1.796 0.569 0.872 1.000 0.857 CA 1.014 22 residues pruned to eliminate duplicates Z: 37 24.676 2.009 0.460 0.592 0.944 0.611 CA 1.360 37 residues pruned to eliminate duplicates Z: 14 25.555 1.981 0.798 0.899 0.923 0.692 CB 1.541 14 residues pruned to eliminate duplicates Z: 6 13.193 1.740 0.777 0.816 1.000 1.000 O 1.450 6 residues pruned to eliminate duplicates Z: 19 21.573 1.910 0.947 0.836 0.833 0.611 CA 1.229 19 residues pruned to eliminate duplicates Z: 13 17.332 1.916 0.586 0.841 0.917 0.833 CA 1.339 13 residues pruned to eliminate duplicates Z: 38 32.122 2.031 0.750 0.581 0.919 0.568 CB 1.496 38 residues pruned to eliminate duplicates Z: 29 26.058 2.091 0.551 0.598 0.964 0.786 CA 1.434 29 residues pruned to eliminate duplicates Z: 23 33.584 2.003 0.943 0.834 1.000 0.545 CA 1.380 23 residues pruned to eliminate duplicates Z: 12 10.266 1.836 0.710 0.340 0.909 0.364 N 1.292 12 residues pruned to eliminate duplicates Z: 22 20.968 1.965 0.540 0.848 0.952 0.810 CA 1.178 22 residues pruned to eliminate duplicates Z: 7 13.182 1.866 1.316 0.472 1.000 0.500 CB 1.281 7 residues pruned to eliminate duplicates Z: 13 18.531 1.854 0.781 0.873 1.000 0.750 CB 1.181 13 residues pruned to eliminate duplicates Z: 12 17.646 1.950 0.647 0.914 0.909 0.636 CB 1.288 12 residues pruned to eliminate duplicates Z: 32 18.849 1.855 0.619 0.410 0.903 0.581 CB 1.372 30 residues pruned to eliminate duplicates Z: 19 8.279 1.739 0.512 0.306 0.833 0.389 CB 1.104 19 residues pruned to eliminate duplicates Z: 9 8.887 1.571 0.238 0.857 1.000 0.750 CA 1.190 8 residues pruned to eliminate duplicates Z: 12 19.629 2.007 0.763 0.798 0.909 0.727 CA 1.417 12 residues pruned to eliminate duplicates Z: 42 30.443 1.972 0.769 0.484 0.951 0.610 CA 1.455 31 residues pruned to eliminate duplicates Z: 13 5.997 1.489 0.647 0.326 0.750 0.583 CB 1.139 Z: 7 11.501 1.811 1.033 0.864 1.000 1.000 CB 0.935 7 residues pruned to eliminate duplicates Z: 9 5.003 1.495 0.313 0.649 0.750 0.625 CB 1.046 9 residues pruned to eliminate duplicates Z: 23 20.196 1.940 0.487 0.843 0.909 0.818 CB 1.223 23 residues pruned to eliminate duplicates Z: 7 6.043 1.591 0.527 0.539 1.000 0.500 N 0.977 Z: 22 30.001 1.971 0.665 0.893 1.000 0.667 CB 1.432 23 residues pruned to eliminate duplicates Z: 13 4.845 1.568 0.301 0.305 0.833 0.333 N 1.022 Z: 6 2.376 1.684 -0.175 0.322 0.800 0.200 CB 1.163 Z: 8 2.890 1.606 0.803 0.188 0.714 0.286 CB 0.767 8 residues pruned to eliminate duplicates Z: 9 2.744 1.320 0.854 0.192 0.625 0.250 C 0.916 Z: 13 23.286 1.900 0.761 0.851 1.000 0.833 CA 1.486 13 residues pruned to eliminate duplicates Z: 12 12.753 1.815 0.621 0.925 1.000 0.909 CB 0.917 12 residues pruned to eliminate duplicates Z: 40 30.809 1.987 0.802 0.514 0.923 0.564 CB 1.472 40 residues pruned to eliminate duplicates Z: 32 23.982 1.971 0.683 0.564 0.839 0.516 CB 1.456 32 residues pruned to eliminate duplicates Z: 15 9.437 1.736 0.468 0.493 0.857 0.643 CB 1.163 15 residues pruned to eliminate duplicates Z: 37 26.363 2.061 0.568 0.599 0.889 0.694 CA 1.392 37 residues pruned to eliminate duplicates Z: 8 7.024 1.798 0.218 0.659 0.857 0.714 CB 1.220 8 residues pruned to eliminate duplicates Z: 38 25.372 1.893 0.611 0.540 0.946 0.541 CB 1.390 32 residues pruned to eliminate duplicates Z: 39 15.501 1.916 0.414 0.341 0.842 0.579 CB 1.311 12 residues pruned to eliminate duplicates Z: 6 8.018 1.609 0.542 0.845 1.000 0.800 CB 1.074 6 residues pruned to eliminate duplicates Z: 22 20.494 2.024 0.203 0.922 1.000 1.000 CA 1.291 22 residues pruned to eliminate duplicates Z: 7 6.413 1.837 0.517 0.406 0.833 0.667 CA 1.245 7 residues pruned to eliminate duplicates Z: 29 18.860 1.917 0.491 0.684 0.893 0.714 CA 1.180 29 residues pruned to eliminate duplicates Z: 37 26.022 1.945 0.547 0.537 0.944 0.750 CB 1.472 37 residues pruned to eliminate duplicates Z: 8 7.270 1.730 0.002 0.786 1.000 0.857 N 1.233 8 residues pruned to eliminate duplicates Z: 37 15.219 1.844 0.461 0.434 0.889 0.500 CB 1.134 38 residues pruned to eliminate duplicates Z: 7 7.278 1.655 1.058 0.612 0.833 0.500 N 0.941 Z: 12 21.656 1.947 0.915 0.917 1.000 0.727 CB 1.235 12 residues pruned to eliminate duplicates 7 1.683 1.388 0.623 0.242 0.500 0.500 CA 0.822 ? Z: 35 22.077 1.941 0.604 0.525 0.853 0.706 CB 1.392 35 residues pruned to eliminate duplicates Z: 41 29.263 2.011 0.707 0.603 0.925 0.600 CA 1.321 41 residues pruned to eliminate duplicates Z: 12 16.060 1.971 0.849 0.568 0.909 0.273 CB 1.369 12 residues pruned to eliminate duplicates Z: 44 14.497 1.838 0.241 0.324 0.930 0.581 CB 1.265 40 residues pruned to eliminate duplicates Z: 35 21.414 1.883 0.534 0.665 0.882 0.647 CA 1.237 27 residues pruned to eliminate duplicates Z: 14 17.375 1.785 0.756 0.858 1.000 0.769 CA 1.132 14 residues pruned to eliminate duplicates Z: 27 12.851 1.919 0.386 0.491 0.846 0.500 CB 1.131 18 residues pruned to eliminate duplicates Z: 6 12.242 1.778 1.574 0.875 1.000 1.000 CA 0.870 6 residues pruned to eliminate duplicates Z: 42 34.280 1.990 0.914 0.480 0.976 0.585 CB 1.470 42 residues pruned to eliminate duplicates Z: 9 9.428 1.861 0.594 0.717 0.875 0.625 CB 1.055 9 residues pruned to eliminate duplicates Z: 8 5.497 1.617 0.858 0.413 0.714 0.571 CB 1.060 Z: 12 14.857 1.905 0.714 0.836 0.909 0.455 CB 1.130 12 residues pruned to eliminate duplicates Z: 13 14.739 1.891 0.419 0.881 0.917 0.583 CB 1.252 13 residues pruned to eliminate duplicates Z: 59 33.083 1.920 0.627 0.632 0.966 0.638 CB 1.271 59 residues pruned to eliminate duplicates 7 1.486 1.411 0.014 0.383 0.833 0.667 CB 0.577 ? Z: 15 10.807 1.851 0.328 0.404 0.929 0.500 CB 1.400 15 residues pruned to eliminate duplicates Z: 15 8.068 1.593 0.367 0.554 0.786 0.571 CB 1.195 15 residues pruned to eliminate duplicates Z: 39 27.762 1.987 0.649 0.595 0.921 0.684 CB 1.363 39 residues pruned to eliminate duplicates Z: 24 9.174 1.718 0.364 0.430 0.783 0.435 CB 1.122 67 residues pruned to eliminate duplicates Z: 24 27.354 1.964 0.551 0.887 1.000 0.739 CA 1.350 24 residues pruned to eliminate duplicates Z: 14 16.744 1.789 0.661 0.842 0.923 0.769 CA 1.262 14 residues pruned to eliminate duplicates Z: 18 19.174 2.014 0.737 0.484 0.941 0.588 CB 1.436 18 residues pruned to eliminate duplicates Z: 10 10.261 1.794 0.248 0.922 1.000 1.000 CB 1.074 10 residues pruned to eliminate duplicates Z: 23 28.081 2.003 0.476 0.874 1.000 0.909 CB 1.474 23 residues pruned to eliminate duplicates Z: 11 5.516 1.775 0.177 0.327 0.800 0.600 O 1.263 11 residues pruned to eliminate duplicates Z: 24 27.675 1.965 0.764 0.845 0.957 0.696 CA 1.294 24 residues pruned to eliminate duplicates Z: 26 14.934 1.891 0.674 0.444 0.920 0.600 CB 1.086 24 residues pruned to eliminate duplicates Z: 29 25.371 1.974 0.640 0.618 0.929 0.714 CB 1.426 29 residues pruned to eliminate duplicates Z: 25 18.765 1.819 0.697 0.606 0.875 0.542 CA 1.281 25 residues pruned to eliminate duplicates Z: 11 25.410 2.044 0.961 0.907 1.000 0.800 CA 1.425 11 residues pruned to eliminate duplicates Z: 12 4.682 1.633 0.177 0.551 0.727 0.455 CB 0.962 Z: 23 20.212 1.796 0.635 0.806 0.864 0.636 CB 1.302 23 residues pruned to eliminate duplicates Z: 23 26.427 1.973 0.667 0.857 0.909 0.727 CA 1.388 23 residues pruned to eliminate duplicates Z: 25 15.859 1.872 0.358 0.598 0.875 0.667 CB 1.325 25 residues pruned to eliminate duplicates Z: 13 14.814 1.815 0.440 0.860 1.000 0.917 CB 1.203 13 residues pruned to eliminate duplicates Z: 13 20.382 1.898 0.952 0.896 0.917 0.833 CA 1.240 13 residues pruned to eliminate duplicates Z: 7 6.636 1.697 0.240 0.865 1.000 0.833 CB 0.943 7 residues pruned to eliminate duplicates Z: 26 19.034 1.946 0.362 0.601 0.920 0.600 CA 1.418 26 residues pruned to eliminate duplicates Z: 30 17.253 1.930 0.415 0.567 0.828 0.621 CA 1.328 30 residues pruned to eliminate duplicates Z: 23 26.940 1.967 0.501 0.874 1.000 0.818 CB 1.416 23 residues pruned to eliminate duplicates Z: 7 10.428 1.757 0.693 0.760 1.000 1.000 CB 1.136 7 residues pruned to eliminate duplicates Z: 24 26.970 1.959 0.731 0.810 0.913 0.696 CA 1.387 24 residues pruned to eliminate duplicates Z: 33 14.901 1.816 0.383 0.506 0.875 0.406 CB 1.191 33 residues pruned to eliminate duplicates Z: 36 24.211 1.865 0.833 0.524 0.914 0.457 CB 1.279 36 residues pruned to eliminate duplicates Z: 7 6.989 1.616 0.458 0.687 1.000 0.333 CB 1.020 Z: 37 16.882 1.818 0.488 0.544 0.833 0.611 CB 1.195 42 residues pruned to eliminate duplicates 6 1.611 1.448 -0.034 0.100 0.800 0.600 CB 1.073 ? Z: 23 35.038 2.025 1.031 0.837 1.000 0.545 CA 1.359 23 residues pruned to eliminate duplicates Z: 23 37.180 1.987 1.001 0.883 1.000 0.682 CA 1.442 23 residues pruned to eliminate duplicates Z: 42 28.501 1.970 0.682 0.620 0.927 0.659 CA 1.294 40 residues pruned to eliminate duplicates Z: 26 17.784 1.951 0.683 0.427 0.840 0.640 CB 1.391 26 residues pruned to eliminate duplicates Z: 42 28.727 2.018 0.698 0.572 0.927 0.561 CA 1.318 42 residues pruned to eliminate duplicates Z: 6 4.107 1.492 0.438 0.843 1.000 0.800 CB 0.638 Z: 9 20.181 2.090 0.556 0.852 1.000 0.750 CB 1.622 9 residues pruned to eliminate duplicates Z: 15 16.732 1.779 0.815 0.790 0.857 0.643 CA 1.253 15 residues pruned to eliminate duplicates Z: 21 17.490 1.983 0.720 0.373 0.950 0.600 CB 1.382 21 residues pruned to eliminate duplicates Z: 12 13.918 1.717 0.742 0.843 0.909 0.545 CB 1.149 12 residues pruned to eliminate duplicates Z: 23 25.054 1.996 0.509 0.802 0.955 0.727 CB 1.427 23 residues pruned to eliminate duplicates Z: 13 11.275 1.877 0.369 0.491 1.000 0.333 CB 1.279 13 residues pruned to eliminate duplicates Z: 12 10.957 1.686 1.045 0.522 0.727 0.545 CB 1.289 12 residues pruned to eliminate duplicates Z: 7 11.266 1.820 0.881 0.773 0.833 0.333 CB 1.266 7 residues pruned to eliminate duplicates Z: 7 12.980 1.871 0.535 0.877 1.000 0.833 CA 1.340 7 residues pruned to eliminate duplicates Z: 40 33.349 2.034 0.879 0.521 0.923 0.590 CB 1.483 40 residues pruned to eliminate duplicates Z: 8 17.289 1.888 0.987 0.713 1.000 0.857 CB 1.436 8 residues pruned to eliminate duplicates Z: 7 3.357 1.539 0.200 0.453 0.833 0.667 CB 0.935 Z: 8 7.201 1.814 0.285 0.438 0.857 0.857 CB 1.452 Z: 8 6.103 1.745 0.393 0.717 0.857 0.714 CB 0.910 Z: 6 2.429 1.511 0.414 0.449 0.800 0.600 CA 0.670 6 residues pruned to eliminate duplicates Z: 13 4.626 1.585 0.415 0.219 0.750 0.417 CB 1.104 13 residues pruned to eliminate duplicates Z: 23 33.860 1.982 1.057 0.872 0.955 0.455 CA 1.352 23 residues pruned to eliminate duplicates Z: 23 15.510 1.889 0.677 0.334 0.909 0.500 CB 1.376 23 residues pruned to eliminate duplicates Z: 21 6.894 1.515 0.235 0.287 0.850 0.450 N 1.231 13 residues pruned to eliminate duplicates Z: 6 2.946 1.678 0.209 0.447 0.800 0.200 CB 0.857 Z: 12 14.072 1.884 0.370 0.909 0.909 0.818 CA 1.284 12 residues pruned to eliminate duplicates Z: 22 17.282 1.860 0.787 0.463 0.857 0.381 N 1.374 22 residues pruned to eliminate duplicates 6 1.951 1.253 -0.023 0.389 1.000 0.800 CB 0.802 ? Z: 14 20.226 1.785 0.739 0.894 1.000 0.846 CA 1.296 14 residues pruned to eliminate duplicates 6 1.852 1.459 0.017 0.300 0.600 0.400 CB 1.163 ? Z: 22 23.399 2.020 0.585 0.829 0.952 0.810 CA 1.259 22 residues pruned to eliminate duplicates Z: 39 19.206 1.949 0.623 0.405 0.895 0.553 CB 1.216 39 residues pruned to eliminate duplicates Z: 8 6.524 1.662 0.465 0.727 0.714 0.714 CB 1.156 8 residues pruned to eliminate duplicates Z: 6 2.326 1.631 0.492 0.837 1.000 1.000 CB 0.320 6 residues pruned to eliminate duplicates Z: 11 12.136 1.898 0.734 0.563 0.900 0.800 CA 1.218 11 residues pruned to eliminate duplicates Z: 10 4.246 1.677 0.378 0.271 0.778 0.667 CB 1.022 Z: 25 10.563 1.852 0.435 0.417 0.833 0.625 CB 1.061 25 residues pruned to eliminate duplicates Z: 6 6.272 1.595 0.703 0.570 0.800 0.800 O 1.207 Z: 21 13.352 1.770 0.486 0.459 0.900 0.700 CA 1.315 21 residues pruned to eliminate duplicates Z: 25 14.295 1.874 0.656 0.342 0.875 0.500 CB 1.276 25 residues pruned to eliminate duplicates Z: 7 3.308 1.311 0.598 0.286 1.000 0.500 CB 0.819 6 residues pruned to eliminate duplicates Z: 18 19.458 2.062 0.855 0.517 0.882 0.588 CB 1.375 18 residues pruned to eliminate duplicates Z: 11 13.222 1.794 0.867 0.470 1.000 0.700 CA 1.287 21 residues pruned to eliminate duplicates 6 1.661 1.539 0.880 0.282 0.800 0.400 CB 0.410 ? Z: 12 7.100 1.844 0.312 0.264 0.909 0.636 CB 1.273 12 residues pruned to eliminate duplicates Z: 7 8.727 1.847 0.336 0.553 1.000 0.833 CA 1.370 9 residues pruned to eliminate duplicates Z: 10 6.881 1.739 0.322 0.614 0.889 0.778 CB 1.008 10 residues pruned to eliminate duplicates Z: 15 16.032 1.935 1.026 0.728 0.857 0.643 CB 1.038 15 residues pruned to eliminate duplicates Z: 10 8.011 1.568 0.234 0.811 0.889 0.778 CA 1.184 10 residues pruned to eliminate duplicates Z: 6 3.800 1.696 0.034 0.514 0.800 0.600 CB 1.194 6 residues pruned to eliminate duplicates Z: 7 4.894 1.629 0.114 0.706 1.000 0.333 CB 0.913 7 residues pruned to eliminate duplicates Z: 8 4.681 1.507 0.314 0.540 0.857 0.571 CB 1.002 Z: 23 33.700 2.000 0.884 0.895 1.000 0.591 CB 1.367 23 residues pruned to eliminate duplicates Z: 9 8.538 1.668 0.380 0.514 0.875 0.500 CA 1.477 9 residues pruned to eliminate duplicates Z: 24 6.725 1.582 0.418 0.246 0.783 0.522 CB 1.071 7 residues pruned to eliminate duplicates Z: 14 13.615 1.926 0.483 0.494 1.000 0.692 CA 1.329 18 residues pruned to eliminate duplicates Z: 21 18.240 2.029 0.078 0.899 1.000 0.850 CA 1.333 21 residues pruned to eliminate duplicates Z: 24 26.993 1.934 0.727 0.823 0.913 0.565 CA 1.395 24 residues pruned to eliminate duplicates Z: 23 22.600 2.001 0.324 0.883 1.000 0.818 CA 1.315 23 residues pruned to eliminate duplicates Z: 21 11.909 1.750 0.621 0.377 0.850 0.450 CB 1.260 20 residues pruned to eliminate duplicates Z: 23 28.222 1.989 0.727 0.878 1.000 0.864 CA 1.271 23 residues pruned to eliminate duplicates Z: 8 7.140 1.806 0.396 0.380 0.857 0.286 CB 1.420 Z: 8 4.904 1.540 0.700 0.380 0.857 0.429 CB 0.939 8 residues pruned to eliminate duplicates Z: 18 11.074 1.937 0.372 0.346 0.941 0.588 CA 1.268 7 residues pruned to eliminate duplicates Z: 13 19.715 1.764 0.570 0.911 1.000 0.917 CB 1.457 13 residues pruned to eliminate duplicates Z: 14 26.322 1.965 1.176 0.872 1.000 0.769 CA 1.244 14 residues pruned to eliminate duplicates Z: 7 3.506 1.611 0.466 0.350 0.833 0.833 N 0.856 Z: 12 15.944 1.890 0.534 0.895 1.000 0.909 CB 1.188 12 residues pruned to eliminate duplicates Z: 32 19.424 1.814 0.629 0.456 0.903 0.548 CB 1.368 32 residues pruned to eliminate duplicates Z: 13 10.807 1.567 0.580 0.787 0.917 0.750 CA 1.068 13 residues pruned to eliminate duplicates Z: 11 9.391 1.625 0.194 0.898 1.000 0.800 CB 1.094 10 residues pruned to eliminate duplicates Z: 30 21.277 1.972 0.720 0.579 0.793 0.552 CA 1.361 30 residues pruned to eliminate duplicates Z: 6 5.873 1.537 0.546 0.771 1.000 0.400 CA 0.870 6 residues pruned to eliminate duplicates Z: 8 6.438 1.671 0.593 0.471 0.714 0.429 CB 1.319 8 residues pruned to eliminate duplicates Z: 7 3.832 1.659 0.356 0.541 0.833 0.667 CB 0.802 Z: 21 14.287 1.936 0.631 0.422 0.850 0.700 CB 1.290 21 residues pruned to eliminate duplicates Z: 6 3.460 1.753 0.379 0.257 0.800 0.600 CB 1.057 6 residues pruned to eliminate duplicates Z: 12 23.605 1.968 0.980 0.836 1.000 0.909 CB 1.367 12 residues pruned to eliminate duplicates Z: 6 2.374 1.662 -0.198 0.499 1.000 1.000 CB 0.797 6 residues pruned to eliminate duplicates Z: 40 29.315 1.988 0.766 0.457 0.949 0.462 CB 1.473 40 residues pruned to eliminate duplicates Z: 79 34.078 1.926 0.502 0.592 0.949 0.564 CB 1.288 73 residues pruned to eliminate duplicates Z: 13 16.922 1.860 0.771 0.857 1.000 0.917 CB 1.092 13 residues pruned to eliminate duplicates Z: 10 8.600 1.714 0.408 0.519 0.889 0.444 CB 1.311 12 residues pruned to eliminate duplicates Z: 9 7.566 1.805 0.157 0.462 0.875 0.500 CB 1.523 Z: 14 7.371 1.736 0.175 0.549 0.769 0.462 CB 1.243 14 residues pruned to eliminate duplicates Z: 27 29.554 2.069 0.760 0.624 0.923 0.731 CB 1.534 27 residues pruned to eliminate duplicates Z: 8 8.115 1.560 0.499 0.845 0.857 0.714 CB 1.138 8 residues pruned to eliminate duplicates Z: 8 4.891 1.537 0.745 0.639 0.857 0.714 CB 0.706 Z: 11 12.571 1.605 0.607 0.881 1.000 0.800 N 1.116 11 residues pruned to eliminate duplicates Z: 22 21.706 1.867 0.616 0.917 0.905 0.571 CB 1.225 22 residues pruned to eliminate duplicates Z: 13 6.989 1.554 0.428 0.654 0.833 0.667 CB 0.945 13 residues pruned to eliminate duplicates Z: 23 29.769 1.952 0.730 0.889 1.000 0.773 CB 1.353 37 residues pruned to eliminate duplicates Z: 10 4.815 1.513 0.343 0.357 0.778 0.667 N 1.185 Z: 24 32.405 1.947 0.844 0.896 1.000 0.609 CB 1.348 24 residues pruned to eliminate duplicates Z: 8 2.077 1.500 0.619 0.071 0.571 0.286 CB 0.990 Z: 8 4.438 1.426 0.667 0.560 0.857 0.714 CB 0.776 8 residues pruned to eliminate duplicates Z: 14 13.426 1.774 0.363 0.755 0.923 0.615 CA 1.329 14 residues pruned to eliminate duplicates Z: 22 14.459 1.788 0.408 0.522 0.857 0.619 CB 1.430 22 residues pruned to eliminate duplicates Z: 7 15.859 1.830 0.871 0.881 1.000 0.667 O 1.370 7 residues pruned to eliminate duplicates Z: 24 16.156 1.870 0.727 0.588 0.826 0.522 CB 1.160 26 residues pruned to eliminate duplicates Z: 11 11.047 1.805 0.400 0.923 1.000 0.900 CB 0.971 11 residues pruned to eliminate duplicates Z: 40 32.250 1.978 0.776 0.546 0.974 0.590 CB 1.442 40 residues pruned to eliminate duplicates Z: 6 3.948 1.555 0.273 0.381 1.000 0.400 CA 1.013 Z: 6 5.494 1.509 0.817 0.702 0.800 0.600 CB 0.932 5 residues pruned to eliminate duplicates Z: 11 19.107 1.955 0.630 0.919 1.000 0.800 CB 1.336 11 residues pruned to eliminate duplicates Z: 7 5.613 1.739 0.641 0.552 0.667 0.500 CB 1.145 7 residues pruned to eliminate duplicates Z: 41 32.738 2.021 0.851 0.510 0.925 0.425 CB 1.482 41 residues pruned to eliminate duplicates Z: 13 11.253 2.036 0.145 0.688 0.917 0.750 CA 1.280 13 residues pruned to eliminate duplicates Z: 14 15.813 1.728 0.506 0.881 0.923 0.846 CB 1.323 14 residues pruned to eliminate duplicates Z: 12 10.237 1.531 0.506 0.886 1.000 0.727 CB 0.966 12 residues pruned to eliminate duplicates Z: 20 18.504 1.916 0.246 0.925 1.000 1.000 CA 1.248 20 residues pruned to eliminate duplicates Z: 11 4.485 1.446 0.367 0.385 0.800 0.600 CB 1.013 Z: 39 25.643 1.849 0.659 0.584 0.974 0.605 CB 1.284 40 residues pruned to eliminate duplicates 7 1.093 1.488 0.820 0.339 0.667 0.667 CB 0.295 ? Z: 6 4.187 1.407 0.585 0.464 0.800 0.600 O 1.089 Z: 12 12.493 1.885 0.580 0.475 1.000 0.455 CA 1.297 12 residues pruned to eliminate duplicates Z: 8 4.657 1.603 0.204 0.838 0.857 0.571 CB 0.795 8 residues pruned to eliminate duplicates Z: 7 3.110 1.424 0.406 0.791 1.000 0.667 CB 0.491 Z: 31 19.632 1.994 0.790 0.505 0.800 0.433 CB 1.249 31 residues pruned to eliminate duplicates Z: 6 7.431 1.734 0.547 0.887 1.000 1.000 CB 0.893 6 residues pruned to eliminate duplicates Z: 9 6.464 1.806 0.107 0.436 0.875 0.500 CA 1.395 Z: 13 10.637 1.593 0.212 0.900 1.000 0.917 CA 1.137 13 residues pruned to eliminate duplicates Z: 39 31.081 2.015 0.696 0.588 0.947 0.658 CA 1.431 39 residues pruned to eliminate duplicates Z: 17 8.870 1.735 0.517 0.505 0.875 0.562 CB 0.958 17 residues pruned to eliminate duplicates Z: 7 7.766 1.774 0.538 0.570 0.833 0.500 CB 1.303 7 residues pruned to eliminate duplicates Z: 40 33.285 2.010 0.836 0.531 0.923 0.590 CB 1.518 40 residues pruned to eliminate duplicates Z: 14 6.819 1.576 0.504 0.345 0.923 0.462 CB 1.023 10 residues pruned to eliminate duplicates Z: 22 15.390 1.851 0.504 0.566 0.952 0.524 CB 1.189 14 residues pruned to eliminate duplicates Z: 13 10.174 1.749 0.737 0.498 0.750 0.500 CA 1.292 13 residues pruned to eliminate duplicates Z: 7 6.167 1.744 0.229 0.396 1.000 0.333 CA 1.312 4 residues pruned to eliminate duplicates Z: 15 8.749 1.766 0.464 0.471 0.786 0.500 CA 1.186 15 residues pruned to eliminate duplicates Z: 9 11.073 1.829 0.367 0.885 0.875 0.750 CB 1.292 9 residues pruned to eliminate duplicates Z: 23 24.445 2.018 0.396 0.889 1.000 1.000 CB 1.331 23 residues pruned to eliminate duplicates Z: 11 8.704 1.688 0.639 0.528 0.900 0.700 N 1.075 11 residues pruned to eliminate duplicates 7 1.041 1.543 0.233 0.244 0.500 0.500 CB 0.601 ? Z: 6 2.079 1.338 0.076 0.554 0.600 0.400 C 1.021 Z: 6 5.170 1.532 0.845 0.521 1.000 1.000 CA 0.801 6 residues pruned to eliminate duplicates Z: 39 29.880 1.974 0.866 0.530 0.921 0.526 CB 1.388 39 residues pruned to eliminate duplicates Z: 102 32.407 1.857 0.544 0.483 0.891 0.564 CB 1.284 127 residues pruned to eliminate duplicates Z: 12 15.405 1.739 0.968 0.900 1.000 0.909 CB 0.970 12 residues pruned to eliminate duplicates Z: 15 12.086 1.660 0.433 0.672 1.000 0.500 CB 1.159 11 residues pruned to eliminate duplicates Z: 22 14.658 1.822 0.736 0.405 0.905 0.286 CB 1.235 22 residues pruned to eliminate duplicates Z: 8 2.759 1.443 0.438 0.398 0.714 0.429 CB 0.783 Z: 27 21.471 1.925 0.839 0.675 0.885 0.423 CB 1.144 27 residues pruned to eliminate duplicates Z: 7 12.154 1.722 0.899 0.868 1.000 0.833 O 1.109 8 residues pruned to eliminate duplicates 6 1.676 1.634 -0.169 0.597 0.600 0.600 CB 0.838 ? Z: 16 12.170 1.859 0.750 0.363 0.800 0.600 CA 1.398 16 residues pruned to eliminate duplicates Z: 21 14.503 1.822 0.437 0.491 0.950 0.550 CB 1.316 21 residues pruned to eliminate duplicates 6 1.826 1.554 0.023 0.100 0.800 0.600 CB 1.071 ? Z: 14 14.849 1.764 0.589 0.851 0.923 0.769 CB 1.178 14 residues pruned to eliminate duplicates Z: 10 8.299 1.679 0.257 0.577 1.000 0.333 CB 1.217 10 residues pruned to eliminate duplicates Z: 13 23.845 1.997 0.645 0.885 1.000 0.917 CA 1.513 13 residues pruned to eliminate duplicates Z: 9 6.771 1.422 0.743 0.388 1.000 0.625 CB 1.088 Z: 6 6.342 1.601 1.012 0.613 0.800 0.600 N 0.989 6 residues pruned to eliminate duplicates Z: 12 25.387 1.983 1.092 0.868 1.000 0.818 CA 1.349 12 residues pruned to eliminate duplicates Z: 8 6.144 1.637 0.222 0.901 1.000 1.000 CB 0.829 8 residues pruned to eliminate duplicates Z: 19 13.161 1.812 0.658 0.426 0.778 0.556 CB 1.434 19 residues pruned to eliminate duplicates Z: 12 4.336 1.543 0.486 0.332 0.727 0.545 CB 0.942 Z: 11 21.924 1.969 0.867 0.920 1.000 0.800 CB 1.328 11 residues pruned to eliminate duplicates Z: 51 22.763 1.891 0.431 0.506 0.900 0.660 CB 1.314 60 residues pruned to eliminate duplicates Z: 32 23.858 1.955 0.614 0.564 0.903 0.613 CB 1.413 32 residues pruned to eliminate duplicates Z: 8 3.951 1.852 0.334 0.439 0.714 0.286 CB 0.901 8 residues pruned to eliminate duplicates Z: 13 21.997 1.955 0.811 0.852 0.917 0.750 CB 1.447 13 residues pruned to eliminate duplicates Z: 11 12.772 1.779 0.887 0.910 1.000 0.900 CB 0.853 11 residues pruned to eliminate duplicates Z: 36 19.970 1.859 0.491 0.579 0.943 0.543 CB 1.198 36 residues pruned to eliminate duplicates Z: 13 8.363 1.479 0.283 0.814 1.000 0.917 CA 0.969 13 residues pruned to eliminate duplicates Z: 6 2.422 1.666 -0.007 0.287 0.600 0.400 CB 1.387 Z: 57 30.531 1.911 0.518 0.656 0.946 0.679 CB 1.285 57 residues pruned to eliminate duplicates Z: 10 14.519 1.701 0.967 0.605 1.000 0.778 CA 1.309 Z: 7 6.058 1.343 1.035 0.620 0.833 0.500 N 0.970 7 residues pruned to eliminate duplicates Z: 6 5.448 1.747 0.371 0.602 0.800 0.600 CB 1.153 6 residues pruned to eliminate duplicates Z: 6 3.553 1.292 1.099 0.420 0.800 0.200 CB 0.796 Z: 55 29.378 1.894 0.729 0.591 0.944 0.611 CB 1.185 55 residues pruned to eliminate duplicates Z: 15 15.794 1.772 0.846 0.807 1.000 0.857 CA 0.987 15 residues pruned to eliminate duplicates Z: 9 3.574 1.439 0.384 0.237 0.750 0.375 N 1.147 Z: 7 6.756 1.649 0.147 0.688 1.000 0.500 CB 1.227 Z: 40 32.997 2.097 0.867 0.477 0.923 0.590 CB 1.497 40 residues pruned to eliminate duplicates Z: 8 5.262 1.580 0.449 0.693 0.571 0.571 O 1.274 8 residues pruned to eliminate duplicates Z: 24 20.466 1.968 0.763 0.573 0.870 0.739 CB 1.318 25 residues pruned to eliminate duplicates Z: 9 3.286 1.502 0.220 0.413 0.750 0.625 CB 0.926 9 residues pruned to eliminate duplicates Z: 35 28.472 1.992 0.794 0.533 0.912 0.559 CA 1.451 37 residues pruned to eliminate duplicates Z: 13 10.011 1.793 0.179 0.891 1.000 0.917 CA 0.983 13 residues pruned to eliminate duplicates Z: 9 8.630 1.618 0.394 0.753 1.000 0.625 CA 1.080 9 residues pruned to eliminate duplicates Z: 8 4.674 1.561 0.443 0.717 0.571 0.571 CB 1.128 8 residues pruned to eliminate duplicates Z: 6 3.124 1.389 0.242 0.473 0.800 0.800 N 1.040 Z: 11 20.293 1.906 1.102 0.897 0.900 0.800 CA 1.274 11 residues pruned to eliminate duplicates Z: 23 13.977 1.833 0.515 0.476 0.955 0.591 CB 1.151 23 residues pruned to eliminate duplicates Z: 21 27.900 2.029 0.516 0.890 1.000 0.750 CB 1.459 21 residues pruned to eliminate duplicates Z: 11 13.986 1.610 0.705 0.890 1.000 0.700 N 1.159 11 residues pruned to eliminate duplicates Z: 6 2.453 1.637 -0.014 0.340 0.800 0.400 CB 1.011 6 0.702 1.393 0.948 0.894 1.000 1.000 CB 0.083 ? Z: 12 12.497 1.890 0.555 0.399 1.000 0.636 CA 1.427 12 residues pruned to eliminate duplicates Z: 19 18.737 1.867 0.550 0.686 0.944 0.556 CB 1.362 19 residues pruned to eliminate duplicates Z: 7 2.811 1.359 0.287 0.568 0.833 0.500 CB 0.738 Z: 12 11.097 1.546 0.310 0.858 1.000 0.727 CB 1.217 11 residues pruned to eliminate duplicates Z: 6 6.020 1.679 0.348 0.819 1.000 0.800 CB 0.901 6 residues pruned to eliminate duplicates Z: 8 3.754 1.453 0.529 0.579 0.714 0.429 CB 0.829 Z: 19 16.568 1.903 0.690 0.478 0.944 0.556 CB 1.315 19 residues pruned to eliminate duplicates Z: 25 16.532 1.952 0.575 0.549 0.875 0.750 CB 1.196 19 residues pruned to eliminate duplicates Z: 36 17.339 1.915 0.443 0.494 0.886 0.600 CB 1.204 36 residues pruned to eliminate duplicates Z: 6 2.364 1.617 0.150 0.678 0.600 0.400 CB 0.805 Z: 32 27.985 1.954 0.801 0.564 0.935 0.581 CB 1.435 32 residues pruned to eliminate duplicates Z: 39 34.179 2.086 0.893 0.511 0.947 0.395 CB 1.466 39 residues pruned to eliminate duplicates Z: 6 4.474 1.406 0.306 0.408 1.000 0.600 O 1.200 Z: 9 3.500 1.406 0.092 0.390 0.750 0.375 C 1.208 Z: 11 3.894 1.750 0.380 0.292 0.700 0.500 CB 0.919 11 residues pruned to eliminate duplicates Z: 38 19.877 1.820 0.537 0.586 0.946 0.541 CB 1.137 38 residues pruned to eliminate duplicates Z: 51 30.422 1.930 0.589 0.605 0.940 0.620 CB 1.351 51 residues pruned to eliminate duplicates Z: 11 11.404 1.636 0.734 0.695 0.900 0.700 CB 1.182 11 residues pruned to eliminate duplicates Z: 11 3.079 1.445 0.414 0.311 0.700 0.500 CB 0.839 11 residues pruned to eliminate duplicates Z: 6 3.424 1.973 0.078 0.704 0.800 0.800 CB 0.747 6 residues pruned to eliminate duplicates Z: 32 12.360 1.785 0.354 0.292 0.903 0.548 CB 1.283 24 residues pruned to eliminate duplicates Z: 37 21.075 1.855 0.547 0.499 0.889 0.667 CB 1.379 37 residues pruned to eliminate duplicates Z: 8 3.054 1.619 0.719 0.446 0.714 0.571 CB 0.614 Z: 7 4.925 1.202 0.723 0.706 1.000 0.500 CA 0.805 Z: 41 33.211 2.004 0.917 0.491 0.925 0.400 CB 1.492 41 residues pruned to eliminate duplicates Z: 17 5.074 1.459 0.473 0.344 0.875 0.812 CB 0.799 Z: 13 12.698 1.799 0.842 0.808 0.917 0.667 CB 0.922 13 residues pruned to eliminate duplicates Z: 9 10.608 1.751 0.360 0.869 0.875 0.750 CB 1.315 9 residues pruned to eliminate duplicates Z: 14 17.618 1.952 0.542 0.877 0.923 0.769 CA 1.277 14 residues pruned to eliminate duplicates Z: 27 15.482 1.969 0.670 0.419 0.885 0.654 CB 1.136 27 residues pruned to eliminate duplicates Z: 11 11.479 1.660 0.765 0.619 0.900 0.600 N 1.230 11 residues pruned to eliminate duplicates Z: 12 11.961 1.918 0.759 0.456 0.818 0.636 N 1.366 12 residues pruned to eliminate duplicates Z: 6 8.021 1.617 0.443 0.607 1.000 0.800 CB 1.388 Z: 9 2.628 1.405 0.041 0.184 0.875 0.625 CB 1.061 Z: 8 8.106 1.681 0.584 0.804 1.000 0.714 CB 0.882 5 residues pruned to eliminate duplicates Z: 27 23.879 1.933 0.451 0.825 0.923 0.846 CA 1.365 27 residues pruned to eliminate duplicates Z: 13 8.669 1.786 0.300 0.572 0.917 0.750 CB 1.097 13 residues pruned to eliminate duplicates Z: 13 7.810 1.779 0.836 0.329 0.667 0.333 CB 1.249 11 residues pruned to eliminate duplicates Z: 33 25.780 1.935 0.772 0.578 0.906 0.656 CA 1.360 33 residues pruned to eliminate duplicates 6 1.606 1.361 -0.050 0.342 0.800 0.200 CB 0.825 ? Z: 15 11.717 1.748 0.350 0.640 1.000 0.429 CB 1.164 13 residues pruned to eliminate duplicates Z: 23 21.409 1.951 0.577 0.830 0.864 0.500 CB 1.291 23 residues pruned to eliminate duplicates Z: 6 2.339 1.256 0.535 0.559 1.000 0.400 CB 0.512 Z: 37 21.377 1.951 0.603 0.475 0.944 0.611 CB 1.237 37 residues pruned to eliminate duplicates Z: 22 25.651 2.018 0.539 0.864 1.000 0.810 CA 1.322 22 residues pruned to eliminate duplicates Z: 7 5.529 1.794 0.370 0.432 0.833 0.500 CB 1.183 7 residues pruned to eliminate duplicates Z: 23 13.401 1.815 0.724 0.471 0.909 0.636 CB 1.035 23 residues pruned to eliminate duplicates Z: 38 24.744 1.998 0.594 0.544 0.919 0.730 CB 1.332 38 residues pruned to eliminate duplicates Z: 9 8.580 1.755 0.981 0.537 1.000 0.750 CB 0.842 9 residues pruned to eliminate duplicates Z: 23 26.308 1.931 0.500 0.877 1.000 0.727 CB 1.407 23 residues pruned to eliminate duplicates Z: 14 8.648 1.811 0.613 0.295 0.846 0.538 CB 1.220 14 residues pruned to eliminate duplicates Z: 8 5.647 1.767 0.098 0.450 1.000 0.857 CB 1.157 8 residues pruned to eliminate duplicates Z: 7 3.237 1.675 -0.051 0.343 1.000 0.500 CB 0.986 Z: 27 17.855 1.916 0.595 0.563 0.846 0.692 CB 1.275 27 residues pruned to eliminate duplicates Z: 7 5.380 1.794 0.279 0.550 0.833 0.833 CB 1.094 7 residues pruned to eliminate duplicates Z: 14 7.938 1.696 0.626 0.419 0.846 0.692 CB 1.027 14 residues pruned to eliminate duplicates Z: 10 9.858 1.688 0.255 0.820 1.000 0.889 CA 1.175 10 residues pruned to eliminate duplicates Z: 7 11.127 1.789 0.831 0.874 1.000 1.000 CB 1.010 Z: 7 2.871 1.427 0.132 0.356 0.833 0.333 CB 1.017 Z: 13 5.667 1.483 0.308 0.250 0.917 0.583 CA 1.227 8 residues pruned to eliminate duplicates Z: 13 21.819 1.737 0.794 0.873 1.000 0.917 CA 1.472 13 residues pruned to eliminate duplicates Z: 7 3.606 1.517 0.346 0.664 0.667 0.333 CB 0.929 7 residues pruned to eliminate duplicates Z: 11 17.371 1.781 0.682 0.839 1.000 0.800 CA 1.369 15 residues pruned to eliminate duplicates Z: 6 3.931 1.415 0.248 0.425 1.000 0.800 O 1.077 Z: 10 5.471 1.430 0.713 0.476 0.889 0.556 CB 0.858 Z: 12 15.249 1.964 0.666 0.871 1.000 0.909 CB 1.025 12 residues pruned to eliminate duplicates Z: 10 6.108 1.697 0.050 0.499 0.889 0.556 CB 1.287 9 residues pruned to eliminate duplicates Z: 24 22.104 1.966 0.395 0.814 0.913 0.783 CA 1.402 24 residues pruned to eliminate duplicates Z: 20 10.377 1.698 0.590 0.402 0.737 0.316 CB 1.327 20 residues pruned to eliminate duplicates Z: 23 24.350 1.956 0.368 0.903 1.000 0.955 CA 1.383 23 residues pruned to eliminate duplicates Z: 38 19.274 1.857 0.578 0.454 0.865 0.514 CB 1.310 38 residues pruned to eliminate duplicates Z: 13 4.783 1.677 0.245 0.501 0.750 0.417 CB 0.880 13 residues pruned to eliminate duplicates Z: 8 6.696 1.749 0.024 0.860 1.000 0.714 CB 1.039 8 residues pruned to eliminate duplicates Z: 11 11.429 1.635 0.425 0.808 1.000 0.800 CA 1.186 11 residues pruned to eliminate duplicates Z: 13 15.295 1.947 0.707 0.489 0.917 0.750 CB 1.465 13 residues pruned to eliminate duplicates Z: 14 7.558 1.728 0.415 0.386 0.846 0.692 CA 1.144 9 residues pruned to eliminate duplicates Z: 39 17.287 1.871 0.379 0.422 0.895 0.553 CB 1.317 61 residues pruned to eliminate duplicates Z: 25 19.822 1.863 0.574 0.607 1.000 0.708 CB 1.246 25 residues pruned to eliminate duplicates Z: 13 11.243 1.489 0.711 0.817 0.917 0.583 CB 1.055 13 residues pruned to eliminate duplicates Z: 6 12.208 1.728 0.834 0.724 1.000 0.600 O 1.407 6 residues pruned to eliminate duplicates Z: 8 3.044 1.383 0.311 0.554 0.857 0.857 C 0.702 Z: 38 14.264 1.757 0.469 0.374 0.865 0.514 CB 1.202 44 residues pruned to eliminate duplicates Z: 15 6.792 1.632 0.467 0.470 0.714 0.500 CB 1.094 22 residues pruned to eliminate duplicates Z: 40 18.697 1.772 0.417 0.522 0.897 0.590 CA 1.301 40 residues pruned to eliminate duplicates Z: 35 19.096 1.892 0.658 0.410 0.882 0.529 CB 1.299 35 residues pruned to eliminate duplicates Z: 7 2.125 1.102 0.685 0.397 0.833 0.833 N 0.625 Z: 12 7.439 1.749 0.268 0.416 0.818 0.455 CB 1.349 12 residues pruned to eliminate duplicates Z: 6 2.360 1.303 0.236 0.476 0.800 0.400 CA 0.840 6 residues pruned to eliminate duplicates Z: 14 6.060 1.600 0.219 0.553 0.769 0.692 CB 1.064 Z: 39 25.216 1.929 0.641 0.554 0.921 0.763 CB 1.331 39 residues pruned to eliminate duplicates Z: 37 25.050 1.960 0.596 0.542 0.944 0.639 CA 1.356 37 residues pruned to eliminate duplicates Z: 17 7.510 1.732 0.418 0.399 0.812 0.500 CB 1.047 17 residues pruned to eliminate duplicates Z: 7 9.204 1.682 0.359 0.857 1.000 0.500 CB 1.212 7 residues pruned to eliminate duplicates Z: 7 3.388 1.551 0.202 0.423 1.000 0.500 CA 0.804 Z: 33 24.314 1.904 0.582 0.716 0.969 0.719 CB 1.212 33 residues pruned to eliminate duplicates Z: 23 13.816 1.910 0.675 0.263 0.818 0.364 CB 1.475 23 residues pruned to eliminate duplicates Z: 8 9.981 1.718 0.252 0.881 1.000 0.714 CA 1.270 8 residues pruned to eliminate duplicates Z: 13 23.233 1.885 1.114 0.873 1.000 0.583 CA 1.225 13 residues pruned to eliminate duplicates Z: 8 2.858 1.235 0.406 0.319 0.857 0.571 N 0.886 Z: 22 19.249 1.933 0.248 0.890 0.905 0.857 CA 1.384 22 residues pruned to eliminate duplicates Z: 7 9.731 1.610 0.643 0.828 1.000 0.667 CA 1.131 7 residues pruned to eliminate duplicates Z: 6 3.534 1.876 0.191 0.331 0.800 0.600 CB 1.064 Z: 41 17.758 1.815 0.453 0.521 0.825 0.425 CB 1.264 41 residues pruned to eliminate duplicates Z: 10 6.009 1.780 0.394 0.290 0.889 0.667 CB 1.150 10 residues pruned to eliminate duplicates Z: 7 6.656 1.542 0.965 0.472 0.833 0.500 CA 1.107 Z: 39 27.193 1.988 0.576 0.614 0.921 0.711 CA 1.372 39 residues pruned to eliminate duplicates Z: 40 34.362 2.115 0.871 0.478 0.949 0.513 CB 1.499 40 residues pruned to eliminate duplicates Z: 42 27.077 1.976 0.835 0.486 0.878 0.610 CB 1.348 42 residues pruned to eliminate duplicates Z: 39 30.729 2.008 0.837 0.594 0.868 0.711 CB 1.423 39 residues pruned to eliminate duplicates Z: 9 8.757 1.648 0.518 0.792 1.000 0.625 CB 0.958 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 11.863 1.618 0.561 0.787 0.900 0.700 CA 1.282 11 residues pruned to eliminate duplicates Z: 11 10.519 1.731 0.762 0.521 0.900 0.700 CB 1.187 11 residues pruned to eliminate duplicates Z: 10 8.949 1.775 0.435 0.566 1.000 0.667 CA 1.099 10 residues pruned to eliminate duplicates Z: 12 10.865 1.752 0.376 0.640 1.000 0.818 CA 1.192 12 residues pruned to eliminate duplicates Z: 14 10.229 1.628 0.570 0.591 1.000 0.769 CA 1.017 14 residues pruned to eliminate duplicates Z: 15 12.560 1.710 0.578 0.735 1.000 0.643 CB 1.007 11 residues pruned to eliminate duplicates Z: 11 17.119 1.802 0.657 0.837 1.000 0.800 CB 1.356 15 residues pruned to eliminate duplicates Z: 11 19.640 1.785 0.858 0.834 1.000 0.600 CB 1.404 12 residues pruned to eliminate duplicates Z: 13 17.239 1.672 0.900 0.809 1.000 0.667 CB 1.197 12 residues pruned to eliminate duplicates Z: 9 10.787 1.870 0.478 0.886 1.000 0.875 CB 0.996 9 residues pruned to eliminate duplicates Z: 28 16.540 1.861 0.381 0.557 0.963 0.556 CB 1.217 28 residues pruned to eliminate duplicates Z: 9 12.827 1.898 0.800 0.801 1.000 0.875 CB 1.021 9 residues pruned to eliminate duplicates Z: 8 15.079 1.881 0.738 0.873 1.000 0.857 CA 1.270 8 residues pruned to eliminate duplicates Z: 7 6.359 1.773 0.306 0.543 0.833 0.667 CB 1.290 7 residues pruned to eliminate duplicates Z: 7 5.572 1.672 0.826 0.584 0.833 0.667 CB 0.824 7 residues pruned to eliminate duplicates 6 0.796 1.092 0.765 0.181 0.600 0.200 CA 0.452 ? Z: 6 5.913 1.730 0.972 0.284 0.800 0.600 CB 1.236 Z: 6 4.597 1.598 0.788 0.585 1.000 0.600 CA 0.663 6 residues pruned to eliminate duplicates Z: 14 10.232 1.790 0.589 0.415 0.846 0.538 CA 1.289 27 residues pruned to eliminate duplicates Z: 7 6.149 1.639 0.491 0.379 0.833 0.167 N 1.402 Z: 16 22.355 1.978 0.987 0.737 0.933 0.667 CB 1.272 16 residues pruned to eliminate duplicates Z: 16 19.524 1.978 0.985 0.718 0.933 0.800 CB 1.130 16 residues pruned to eliminate duplicates Z: 17 17.285 1.936 0.950 0.600 0.875 0.562 CB 1.189 17 residues pruned to eliminate duplicates Z: 19 15.508 1.925 0.840 0.587 0.833 0.556 CB 1.140 19 residues pruned to eliminate duplicates Z: 15 25.094 1.972 0.979 0.754 1.000 0.571 CB 1.371 15 residues pruned to eliminate duplicates Z: 16 19.716 1.952 0.823 0.664 0.933 0.667 CB 1.317 16 residues pruned to eliminate duplicates Z: 15 19.362 1.940 1.037 0.690 0.857 0.714 CB 1.284 15 residues pruned to eliminate duplicates Z: 16 20.510 1.969 0.921 0.676 0.933 0.800 CA 1.275 16 residues pruned to eliminate duplicates Z: 36 25.456 1.998 0.649 0.524 0.943 0.514 CB 1.352 43 residues pruned to eliminate duplicates Z: 15 23.500 2.012 1.034 0.715 1.000 0.786 CB 1.262 15 residues pruned to eliminate duplicates Z: 20 19.154 1.931 0.835 0.517 0.895 0.632 CB 1.363 20 residues pruned to eliminate duplicates Z: 21 13.055 1.772 0.586 0.533 0.800 0.650 CB 1.258 14 residues pruned to eliminate duplicates Z: 9 7.470 1.505 0.601 0.752 0.875 0.750 CB 1.001 9 residues pruned to eliminate duplicates Z: 8 9.632 1.947 0.449 0.658 1.000 0.714 CB 1.114 8 residues pruned to eliminate duplicates Z: 10 7.755 1.826 0.419 0.612 0.889 0.778 CB 1.010 10 residues pruned to eliminate duplicates Z: 9 9.661 1.857 0.405 0.604 1.000 0.625 CB 1.186 9 residues pruned to eliminate duplicates Z: 37 19.536 1.854 0.522 0.500 0.889 0.583 CB 1.298 37 residues pruned to eliminate duplicates Z: 31 13.942 1.868 0.506 0.390 0.800 0.600 CB 1.271 31 residues pruned to eliminate duplicates Z: 38 15.745 1.830 0.562 0.388 0.865 0.541 CB 1.179 38 residues pruned to eliminate duplicates Z: 37 23.287 1.923 0.700 0.479 0.889 0.528 CB 1.364 37 residues pruned to eliminate duplicates Z: 39 19.075 1.829 0.508 0.437 0.895 0.553 CB 1.339 39 residues pruned to eliminate duplicates Z: 42 21.163 1.868 0.652 0.437 0.927 0.537 CB 1.233 42 residues pruned to eliminate duplicates Z: 43 19.470 1.847 0.569 0.446 0.857 0.500 CB 1.279 43 residues pruned to eliminate duplicates Z: 37 23.780 1.923 0.656 0.482 0.944 0.639 CB 1.341 37 residues pruned to eliminate duplicates Z: 37 22.068 1.894 0.592 0.492 0.944 0.639 CB 1.302 37 residues pruned to eliminate duplicates Z: 38 23.210 1.897 0.695 0.485 0.919 0.541 CB 1.311 38 residues pruned to eliminate duplicates Z: 26 15.330 1.869 0.578 0.372 0.920 0.600 CA 1.296 26 residues pruned to eliminate duplicates Z: 38 23.167 1.896 0.725 0.487 0.892 0.568 CB 1.323 38 residues pruned to eliminate duplicates Z: 36 21.072 1.957 0.550 0.461 0.914 0.629 CB 1.337 36 residues pruned to eliminate duplicates Z: 42 21.673 1.880 0.608 0.439 0.951 0.634 CB 1.254 42 residues pruned to eliminate duplicates Z: 40 20.606 1.846 0.655 0.468 0.872 0.590 CB 1.279 40 residues pruned to eliminate duplicates Z: 39 20.893 1.896 0.582 0.457 0.895 0.632 CB 1.319 39 residues pruned to eliminate duplicates Z: 34 19.874 1.873 0.643 0.393 0.939 0.515 CB 1.341 34 residues pruned to eliminate duplicates Z: 45 24.060 1.884 0.676 0.445 0.886 0.568 CB 1.372 45 residues pruned to eliminate duplicates Z: 37 21.638 1.922 0.539 0.487 0.917 0.611 CB 1.347 37 residues pruned to eliminate duplicates Z: 39 18.871 1.881 0.575 0.485 0.895 0.500 CB 1.173 39 residues pruned to eliminate duplicates Z: 37 22.423 1.914 0.543 0.481 0.972 0.500 CB 1.326 37 residues pruned to eliminate duplicates Z: 50 22.416 1.823 0.627 0.420 0.918 0.531 CB 1.277 58 residues pruned to eliminate duplicates Z: 8 9.828 1.754 0.365 0.771 1.000 0.429 CA 1.222 8 residues pruned to eliminate duplicates Z: 17 10.522 1.790 0.325 0.499 0.938 0.438 CB 1.183 17 residues pruned to eliminate duplicates Z: 43 17.581 1.851 0.487 0.407 0.905 0.476 CB 1.201 43 residues pruned to eliminate duplicates Z: 33 18.187 1.926 0.477 0.438 0.906 0.500 CB 1.331 33 residues pruned to eliminate duplicates Z: 43 22.873 1.870 0.602 0.462 0.905 0.571 CB 1.353 43 residues pruned to eliminate duplicates Z: 37 25.757 1.938 0.687 0.510 0.972 0.639 CB 1.337 37 residues pruned to eliminate duplicates Z: 38 19.700 1.900 0.574 0.450 0.865 0.622 CB 1.318 41 residues pruned to eliminate duplicates Z: 7 5.087 1.685 -0.071 0.846 1.000 0.833 CB 0.986 7 residues pruned to eliminate duplicates Z: 42 19.644 1.904 0.546 0.437 0.927 0.561 CB 1.201 41 residues pruned to eliminate duplicates Z: 14 10.200 1.819 0.557 0.532 0.846 0.538 CB 1.144 14 residues pruned to eliminate duplicates Z: 23 15.332 1.884 0.631 0.407 0.909 0.545 CB 1.290 23 residues pruned to eliminate duplicates Z: 23 13.991 1.931 0.556 0.330 0.909 0.682 CB 1.315 23 residues pruned to eliminate duplicates Z: 43 18.378 1.882 0.478 0.421 0.929 0.595 CB 1.192 43 residues pruned to eliminate duplicates Z: 38 19.468 1.951 0.581 0.458 0.919 0.703 CB 1.179 38 residues pruned to eliminate duplicates Z: 39 19.204 1.857 0.645 0.456 0.921 0.579 CB 1.158 39 residues pruned to eliminate duplicates Z: 29 12.938 1.836 0.543 0.343 0.857 0.643 CB 1.195 29 residues pruned to eliminate duplicates Z: 43 18.084 1.892 0.498 0.426 0.881 0.595 CB 1.207 43 residues pruned to eliminate duplicates Z: 41 22.845 1.953 0.658 0.438 0.950 0.625 CB 1.252 48 residues pruned to eliminate duplicates Z: 15 10.731 1.836 0.428 0.480 0.857 0.571 CB 1.302 15 residues pruned to eliminate duplicates Z: 49 16.709 1.872 0.402 0.409 0.896 0.604 CB 1.128 49 residues pruned to eliminate duplicates Z: 38 17.236 1.914 0.410 0.435 0.946 0.595 CB 1.187 38 residues pruned to eliminate duplicates Z: 38 20.588 1.937 0.613 0.457 0.919 0.595 CB 1.232 38 residues pruned to eliminate duplicates Z: 43 20.448 1.869 0.619 0.488 0.881 0.643 CB 1.198 43 residues pruned to eliminate duplicates Z: 39 18.634 1.959 0.504 0.441 0.921 0.737 CB 1.184 39 residues pruned to eliminate duplicates Z: 27 15.445 1.976 0.399 0.402 0.923 0.615 CB 1.316 27 residues pruned to eliminate duplicates Z: 39 19.823 1.960 0.557 0.394 0.947 0.658 CB 1.245 39 residues pruned to eliminate duplicates Z: 40 17.373 1.914 0.380 0.420 0.923 0.564 CB 1.239 40 residues pruned to eliminate duplicates Z: 9 10.478 1.828 0.435 0.658 1.000 0.875 CB 1.221 9 residues pruned to eliminate duplicates Z: 20 10.437 1.902 0.465 0.461 0.789 0.579 CB 1.133 20 residues pruned to eliminate duplicates Z: 40 19.322 1.938 0.527 0.438 0.923 0.641 CB 1.207 40 residues pruned to eliminate duplicates Z: 38 17.534 1.894 0.600 0.386 0.865 0.622 CB 1.241 38 residues pruned to eliminate duplicates Z: 39 18.227 1.905 0.570 0.408 0.921 0.553 CB 1.183 39 residues pruned to eliminate duplicates Z: 41 19.640 1.939 0.550 0.436 0.900 0.675 CB 1.226 41 residues pruned to eliminate duplicates Z: 43 20.528 1.932 0.678 0.428 0.881 0.595 CB 1.195 42 residues pruned to eliminate duplicates Z: 9 9.026 1.835 0.423 0.572 1.000 0.750 CB 1.140 9 residues pruned to eliminate duplicates Z: 18 14.926 1.988 0.677 0.478 1.000 0.529 CB 1.111 18 residues pruned to eliminate duplicates Z: 49 22.675 1.879 0.674 0.475 0.917 0.688 CB 1.164 57 residues pruned to eliminate duplicates Z: 6 3.283 1.394 0.735 0.412 1.000 0.800 CB 0.666 6 residues pruned to eliminate duplicates Z: 10 4.533 1.894 0.167 0.415 0.667 0.333 CB 1.121 10 residues pruned to eliminate duplicates Z: 8 9.077 1.943 0.625 0.539 0.857 0.429 CA 1.221 8 residues pruned to eliminate duplicates Z: 36 17.317 1.883 0.313 0.409 0.943 0.514 CB 1.381 36 residues pruned to eliminate duplicates Z: 25 14.511 1.899 0.456 0.352 0.917 0.583 CB 1.372 26 residues pruned to eliminate duplicates Z: 14 12.554 1.979 0.234 0.607 1.000 0.462 CB 1.288 14 residues pruned to eliminate duplicates Z: 28 11.115 1.763 0.310 0.428 0.852 0.556 CB 1.172 67 residues pruned to eliminate duplicates Z: 17 10.590 1.867 0.339 0.418 0.875 0.500 CB 1.319 Z: 8 9.229 1.977 0.284 0.559 0.857 0.429 CB 1.513 8 residues pruned to eliminate duplicates Z: 37 13.646 1.859 0.312 0.346 0.889 0.556 CB 1.239 17 residues pruned to eliminate duplicates Z: 9 11.633 1.975 0.343 0.582 1.000 0.750 CA 1.433 9 residues pruned to eliminate duplicates Z: 37 20.138 1.923 0.468 0.385 0.944 0.500 CA 1.423 37 residues pruned to eliminate duplicates Z: 6 4.990 1.651 0.271 0.669 1.000 0.600 CA 0.910 6 residues pruned to eliminate duplicates Z: 23 13.596 1.946 0.388 0.380 0.909 0.727 CB 1.342 23 residues pruned to eliminate duplicates Z: 17 12.287 1.940 0.419 0.438 0.875 0.500 CA 1.359 17 residues pruned to eliminate duplicates Z: 41 15.560 1.898 0.295 0.343 0.850 0.525 CA 1.396 41 residues pruned to eliminate duplicates Z: 45 18.136 1.847 0.417 0.351 0.886 0.455 CB 1.386 38 residues pruned to eliminate duplicates Z: 6 4.077 1.646 0.575 0.396 1.000 0.600 CA 0.785 6 residues pruned to eliminate duplicates Z: 47 19.518 1.870 0.395 0.374 0.935 0.543 CB 1.351 91 residues pruned to eliminate duplicates Z: 32 15.547 1.889 0.369 0.359 0.871 0.548 CB 1.444 Z: 6 3.822 1.652 0.470 0.349 0.800 0.400 CA 1.036 6 residues pruned to eliminate duplicates Z: 30 16.543 1.845 0.498 0.402 0.897 0.621 CB 1.375 31 residues pruned to eliminate duplicates Z: 6 5.641 1.647 0.323 0.462 1.000 0.400 CB 1.203 5 residues pruned to eliminate duplicates Z: 6 4.926 1.504 0.389 0.432 1.000 0.800 O 1.132 6 residues pruned to eliminate duplicates Z: 35 19.429 1.934 0.591 0.324 0.941 0.500 CB 1.396 29 residues pruned to eliminate duplicates Z: 6 4.899 1.649 0.238 0.437 1.000 0.600 CA 1.145 6 residues pruned to eliminate duplicates Z: 18 10.459 1.902 0.386 0.303 0.882 0.353 CB 1.359 18 residues pruned to eliminate duplicates Z: 42 14.702 1.898 0.364 0.295 0.829 0.512 CB 1.346 42 residues pruned to eliminate duplicates Z: 16 10.465 1.930 0.364 0.301 0.867 0.267 CB 1.478 16 residues pruned to eliminate duplicates Z: 16 9.109 1.879 0.396 0.400 0.733 0.533 CB 1.359 16 residues pruned to eliminate duplicates Z: 40 17.383 1.903 0.416 0.344 0.897 0.641 CB 1.364 40 residues pruned to eliminate duplicates Z: 6 2.750 1.154 1.228 0.396 1.000 0.600 N 0.534 6 residues pruned to eliminate duplicates Z: 58 35.719 2.011 0.661 0.612 0.930 0.632 CB 1.369 58 residues pruned to eliminate duplicates Z: 13 11.655 1.850 0.999 0.442 0.833 0.583 CB 1.158 13 residues pruned to eliminate duplicates Z: 58 30.910 1.982 0.488 0.622 0.912 0.614 CB 1.357 58 residues pruned to eliminate duplicates Z: 60 30.989 1.975 0.612 0.573 0.881 0.610 CB 1.340 60 residues pruned to eliminate duplicates Z: 23 19.717 1.913 0.696 0.547 0.818 0.636 CB 1.512 23 residues pruned to eliminate duplicates Z: 58 28.437 1.988 0.295 0.609 0.930 0.614 CA 1.419 58 residues pruned to eliminate duplicates Z: 55 29.880 1.928 0.428 0.650 0.944 0.667 CB 1.359 55 residues pruned to eliminate duplicates Z: 22 15.968 1.868 0.483 0.556 0.905 0.476 CB 1.317 22 residues pruned to eliminate duplicates Z: 33 12.119 1.738 0.622 0.336 0.812 0.250 CB 1.118 33 residues pruned to eliminate duplicates Z: 12 17.678 1.993 0.556 0.652 0.909 0.364 CB 1.640 12 residues pruned to eliminate duplicates Z: 52 24.580 1.968 0.316 0.615 0.882 0.647 CB 1.350 52 residues pruned to eliminate duplicates Z: 25 20.106 1.946 0.569 0.547 0.917 0.583 CB 1.400 25 residues pruned to eliminate duplicates Z: 21 12.453 1.820 0.421 0.448 0.750 0.400 CB 1.514 21 residues pruned to eliminate duplicates Z: 15 20.008 1.920 0.671 0.703 0.857 0.643 CB 1.616 15 residues pruned to eliminate duplicates Z: 58 30.783 1.937 0.527 0.608 0.930 0.667 CB 1.338 58 residues pruned to eliminate duplicates Z: 44 34.236 1.982 0.588 0.715 0.953 0.791 CB 1.433 44 residues pruned to eliminate duplicates Z: 37 24.380 1.968 0.321 0.683 0.972 0.778 CB 1.359 37 residues pruned to eliminate duplicates Z: 26 16.400 1.850 0.528 0.467 0.920 0.600 CA 1.304 26 residues pruned to eliminate duplicates Z: 61 32.631 1.960 0.504 0.630 0.933 0.733 CB 1.355 61 residues pruned to eliminate duplicates Z: 55 33.482 1.984 0.440 0.652 0.944 0.759 CB 1.466 55 residues pruned to eliminate duplicates Z: 45 30.562 1.991 0.385 0.725 0.955 0.750 CA 1.429 45 residues pruned to eliminate duplicates Z: 38 23.377 1.947 0.291 0.705 0.946 0.703 CA 1.341 38 residues pruned to eliminate duplicates Z: 49 29.679 1.977 0.403 0.670 0.979 0.750 CA 1.348 49 residues pruned to eliminate duplicates Z: 43 32.276 2.009 0.473 0.724 0.976 0.714 CB 1.409 43 residues pruned to eliminate duplicates Z: 41 26.082 1.937 0.575 0.632 0.950 0.750 CA 1.257 41 residues pruned to eliminate duplicates Z: 44 33.644 2.005 0.544 0.731 0.953 0.814 CA 1.411 44 residues pruned to eliminate duplicates Z: 45 28.951 1.968 0.399 0.713 0.932 0.773 CA 1.403 45 residues pruned to eliminate duplicates Z: 40 25.663 1.961 0.450 0.658 0.923 0.744 CB 1.353 40 residues pruned to eliminate duplicates Z: 46 35.634 1.972 0.638 0.691 0.956 0.711 CB 1.444 46 residues pruned to eliminate duplicates Z: 63 36.513 1.975 0.629 0.597 0.952 0.726 CA 1.381 63 residues pruned to eliminate duplicates Z: 46 31.413 1.994 0.527 0.674 0.933 0.689 CA 1.404 46 residues pruned to eliminate duplicates Z: 55 34.615 1.952 0.576 0.631 0.963 0.704 CA 1.406 55 residues pruned to eliminate duplicates Z: 54 33.952 1.958 0.599 0.633 0.943 0.755 CA 1.394 54 residues pruned to eliminate duplicates Z: 45 33.567 1.991 0.594 0.717 0.955 0.773 CA 1.373 45 residues pruned to eliminate duplicates Z: 42 30.631 2.000 0.532 0.695 0.927 0.805 CA 1.409 42 residues pruned to eliminate duplicates Z: 38 21.952 1.935 0.468 0.634 0.838 0.649 CB 1.336 38 residues pruned to eliminate duplicates Z: 45 36.438 1.985 0.731 0.691 0.955 0.682 CB 1.407 45 residues pruned to eliminate duplicates Z: 45 32.924 1.978 0.587 0.736 0.909 0.727 CB 1.407 45 residues pruned to eliminate duplicates Z: 52 30.128 1.947 0.538 0.619 0.922 0.608 CB 1.366 52 residues pruned to eliminate duplicates Z: 26 28.141 2.025 0.658 0.799 0.920 0.600 CB 1.403 26 residues pruned to eliminate duplicates Z: 44 31.792 1.995 0.549 0.713 0.930 0.721 CB 1.391 44 residues pruned to eliminate duplicates Z: 27 29.722 2.020 0.626 0.783 0.962 0.731 CA 1.439 27 residues pruned to eliminate duplicates Z: 52 36.316 2.001 0.655 0.659 0.941 0.706 CB 1.408 52 residues pruned to eliminate duplicates Z: 32 30.237 2.062 0.648 0.734 0.935 0.806 CA 1.384 32 residues pruned to eliminate duplicates Z: 54 33.246 1.950 0.517 0.658 0.981 0.774 CA 1.358 54 residues pruned to eliminate duplicates Z: 75 38.033 1.901 0.721 0.620 0.932 0.608 CB 1.294 75 residues pruned to eliminate duplicates Z: 54 34.018 1.968 0.606 0.624 0.925 0.679 CB 1.423 54 residues pruned to eliminate duplicates Z: 53 34.977 2.002 0.577 0.629 0.981 0.673 CB 1.387 53 residues pruned to eliminate duplicates Z: 35 26.136 2.046 0.465 0.663 0.941 0.794 CB 1.367 35 residues pruned to eliminate duplicates Z: 53 33.897 1.996 0.547 0.647 0.981 0.769 CB 1.354 53 residues pruned to eliminate duplicates Z: 33 27.906 2.056 0.722 0.675 0.906 0.719 CB 1.309 33 residues pruned to eliminate duplicates Z: 53 29.206 1.946 0.475 0.644 0.942 0.712 CB 1.308 53 residues pruned to eliminate duplicates Z: 16 11.718 1.983 0.736 0.569 0.733 0.400 CB 1.122 16 residues pruned to eliminate duplicates Z: 72 40.424 1.975 0.703 0.598 0.944 0.620 CB 1.377 72 residues pruned to eliminate duplicates Z: 98 45.939 1.996 0.665 0.613 0.918 0.660 CB 1.375 98 residues pruned to eliminate duplicates Z: 16 15.722 2.031 0.769 0.497 0.867 0.467 CB 1.307 16 residues pruned to eliminate duplicates Z: 28 21.657 2.012 0.785 0.478 0.852 0.519 CB 1.393 28 residues pruned to eliminate duplicates Z: 98 42.291 1.940 0.732 0.584 0.887 0.505 CB 1.330 98 residues pruned to eliminate duplicates Z: 8 11.863 1.692 0.961 0.548 1.000 0.571 CB 1.289 8 residues pruned to eliminate duplicates Z: 9 8.827 1.867 0.666 0.347 0.750 0.500 N 1.581 9 residues pruned to eliminate duplicates Z: 44 26.011 1.951 0.531 0.520 0.884 0.744 CA 1.472 44 residues pruned to eliminate duplicates Z: 6 8.591 1.635 0.843 0.728 1.000 0.800 CA 1.038 6 residues pruned to eliminate duplicates Z: 47 33.669 1.989 0.812 0.563 0.935 0.696 CA 1.387 48 residues pruned to eliminate duplicates Z: 9 6.940 1.595 0.605 0.427 1.000 0.625 N 1.035 9 residues pruned to eliminate duplicates Z: 46 29.381 1.996 0.656 0.522 0.933 0.644 CB 1.389 46 residues pruned to eliminate duplicates Z: 45 29.830 1.982 0.566 0.581 0.932 0.682 CA 1.438 44 residues pruned to eliminate duplicates Z: 6 5.582 1.692 0.730 0.329 1.000 0.600 CA 1.029 6 residues pruned to eliminate duplicates Z: 28 19.912 1.975 0.574 0.417 0.889 0.556 CB 1.512 28 residues pruned to eliminate duplicates Z: 65 32.578 1.968 0.623 0.531 0.953 0.578 CB 1.296 65 residues pruned to eliminate duplicates Z: 46 30.162 1.978 0.583 0.577 0.956 0.644 CB 1.395 46 residues pruned to eliminate duplicates Z: 80 41.401 2.014 0.617 0.598 0.962 0.684 CB 1.354 80 residues pruned to eliminate duplicates Z: 45 30.028 2.013 0.575 0.580 0.909 0.682 CB 1.455 45 residues pruned to eliminate duplicates Z: 39 28.616 1.997 0.556 0.586 0.947 0.737 CA 1.452 39 residues pruned to eliminate duplicates Z: 6 4.976 1.780 0.190 0.353 1.000 0.800 CB 1.231 6 residues pruned to eliminate duplicates Z: 31 19.079 1.936 0.613 0.363 0.933 0.400 CB 1.385 31 residues pruned to eliminate duplicates Z: 47 28.615 1.982 0.597 0.527 0.913 0.652 CB 1.421 47 residues pruned to eliminate duplicates Z: 38 25.002 1.954 0.614 0.578 0.919 0.730 CB 1.316 38 residues pruned to eliminate duplicates Z: 46 28.523 2.005 0.553 0.560 0.911 0.778 CB 1.414 46 residues pruned to eliminate duplicates Z: 79 42.651 2.031 0.576 0.609 0.962 0.667 CB 1.415 79 residues pruned to eliminate duplicates Z: 46 29.224 1.991 0.595 0.573 0.933 0.756 CA 1.370 46 residues pruned to eliminate duplicates Z: 49 27.330 1.995 0.613 0.497 0.896 0.646 CB 1.373 49 residues pruned to eliminate duplicates Z: 13 13.098 1.797 0.428 0.902 1.000 0.917 CA 1.051 13 residues pruned to eliminate duplicates Z: 38 25.745 2.005 0.482 0.606 0.919 0.757 CA 1.401 38 residues pruned to eliminate duplicates Z: 12 16.449 1.905 0.536 0.899 1.000 0.818 CA 1.212 12 residues pruned to eliminate duplicates Z: 45 28.468 2.001 0.683 0.532 0.886 0.636 CA 1.392 45 residues pruned to eliminate duplicates Z: 45 26.624 1.999 0.546 0.548 0.909 0.705 CA 1.362 45 residues pruned to eliminate duplicates Z: 47 32.242 2.001 0.683 0.567 0.957 0.783 CB 1.383 47 residues pruned to eliminate duplicates Z: 13 14.349 1.844 0.593 0.932 1.000 0.833 CA 0.985 13 residues pruned to eliminate duplicates Z: 47 30.447 2.013 0.565 0.557 0.935 0.674 CB 1.442 47 residues pruned to eliminate duplicates Z: 45 29.933 2.008 0.650 0.539 0.932 0.682 CA 1.406 45 residues pruned to eliminate duplicates Z: 45 30.724 2.012 0.654 0.555 0.932 0.545 CA 1.416 45 residues pruned to eliminate duplicates Z: 47 30.740 1.996 0.752 0.537 0.913 0.696 CB 1.369 47 residues pruned to eliminate duplicates Z: 47 29.329 2.005 0.652 0.533 0.891 0.652 CB 1.419 47 residues pruned to eliminate duplicates Z: 106 45.445 1.984 0.693 0.582 0.924 0.638 CB 1.321 106 residues pruned to eliminate duplicates Z: 40 28.143 1.989 0.622 0.566 0.923 0.692 CB 1.420 40 residues pruned to eliminate duplicates Z: 44 32.234 2.009 0.675 0.571 0.953 0.767 CA 1.430 44 residues pruned to eliminate duplicates Z: 38 27.684 1.979 0.653 0.565 0.919 0.676 CB 1.421 38 residues pruned to eliminate duplicates Z: 45 31.479 2.010 0.682 0.555 0.932 0.659 CA 1.427 45 residues pruned to eliminate duplicates Z: 28 25.458 1.970 0.567 0.609 0.963 0.741 CB 1.485 30 residues pruned to eliminate duplicates Z: 6 2.836 1.376 0.899 0.424 0.800 0.600 CA 0.657 6 residues pruned to eliminate duplicates Z: 47 20.135 1.776 0.502 0.480 0.935 0.609 CB 1.215 47 residues pruned to eliminate duplicates Z: 31 22.065 1.911 0.454 0.581 0.933 0.733 CA 1.437 31 residues pruned to eliminate duplicates Z: 31 24.260 1.875 0.689 0.568 0.933 0.667 CA 1.403 31 residues pruned to eliminate duplicates Z: 29 26.190 1.948 0.608 0.619 0.964 0.679 CA 1.464 29 residues pruned to eliminate duplicates Z: 6 2.555 1.573 0.258 0.213 0.800 0.400 CB 1.013 6 residues pruned to eliminate duplicates Z: 41 21.449 1.845 0.546 0.533 0.900 0.700 CB 1.279 41 residues pruned to eliminate duplicates Z: 34 26.537 1.967 0.546 0.582 0.970 0.697 CB 1.448 34 residues pruned to eliminate duplicates Z: 30 22.798 1.918 0.539 0.555 0.931 0.759 CA 1.460 30 residues pruned to eliminate duplicates Z: 36 17.958 1.886 0.558 0.434 0.800 0.629 CB 1.383 36 residues pruned to eliminate duplicates Z: 30 23.594 1.883 0.716 0.562 0.897 0.586 CB 1.423 30 residues pruned to eliminate duplicates Z: 38 21.635 1.902 0.471 0.563 0.892 0.676 CB 1.341 38 residues pruned to eliminate duplicates Z: 32 22.077 1.869 0.567 0.551 0.935 0.645 CA 1.378 29 residues pruned to eliminate duplicates Z: 6 3.398 1.624 0.644 0.364 0.600 0.600 N 1.098 6 residues pruned to eliminate duplicates Z: 38 24.597 1.884 0.527 0.556 0.973 0.649 CB 1.368 38 residues pruned to eliminate duplicates Z: 34 21.530 1.844 0.605 0.555 0.909 0.636 CB 1.320 34 residues pruned to eliminate duplicates Z: 30 18.227 1.867 0.455 0.562 0.931 0.621 CB 1.260 30 residues pruned to eliminate duplicates Z: 29 20.058 1.910 0.542 0.525 0.964 0.679 CB 1.302 29 residues pruned to eliminate duplicates Z: 36 21.180 1.814 0.632 0.551 0.886 0.600 CB 1.299 34 residues pruned to eliminate duplicates Z: 13 18.985 1.804 0.727 0.848 0.917 0.667 CB 1.423 13 residues pruned to eliminate duplicates Z: 39 24.934 1.852 0.672 0.511 0.974 0.579 CB 1.327 39 residues pruned to eliminate duplicates Z: 36 22.218 1.883 0.611 0.516 0.943 0.600 CB 1.292 36 residues pruned to eliminate duplicates Z: 38 22.780 1.880 0.585 0.544 0.919 0.568 CB 1.310 38 residues pruned to eliminate duplicates Z: 37 25.614 1.905 0.628 0.591 0.972 0.611 CB 1.297 42 residues pruned to eliminate duplicates Z: 14 23.153 1.772 1.020 0.817 1.000 0.538 CB 1.362 14 residues pruned to eliminate duplicates Z: 40 22.292 1.885 0.558 0.482 0.897 0.564 CB 1.378 40 residues pruned to eliminate duplicates Z: 40 22.722 1.886 0.604 0.474 0.897 0.564 CB 1.375 40 residues pruned to eliminate duplicates Z: 36 25.868 1.926 0.629 0.542 1.000 0.600 CB 1.338 36 residues pruned to eliminate duplicates Z: 6 4.622 1.486 0.779 0.388 1.000 0.600 CB 0.880 6 residues pruned to eliminate duplicates Z: 34 23.627 1.906 0.587 0.545 0.909 0.485 CA 1.431 34 residues pruned to eliminate duplicates Z: 43 21.206 1.816 0.700 0.519 0.881 0.524 CB 1.181 49 residues pruned to eliminate duplicates Z: 31 11.075 1.794 0.400 0.308 0.833 0.467 CB 1.196 31 residues pruned to eliminate duplicates Z: 56 19.883 1.859 0.520 0.386 0.855 0.545 CB 1.253 56 residues pruned to eliminate duplicates Z: 8 3.049 1.703 0.220 0.185 0.714 0.286 CB 1.133 Z: 9 7.170 1.474 0.274 0.645 1.000 0.625 N 1.179 17 residues pruned to eliminate duplicates Z: 30 13.642 1.811 0.564 0.355 0.862 0.517 CB 1.213 33 residues pruned to eliminate duplicates Z: 7 2.016 1.294 0.425 0.310 0.833 0.500 CA 0.661 7 residues pruned to eliminate duplicates Z: 31 9.292 1.728 0.274 0.321 0.800 0.467 CB 1.173 31 residues pruned to eliminate duplicates Z: 24 15.144 1.884 0.574 0.459 0.913 0.652 CB 1.217 26 residues pruned to eliminate duplicates Z: 6 2.652 1.609 0.422 0.230 1.000 0.800 CA 0.710 6 residues pruned to eliminate duplicates Z: 26 9.591 1.793 0.524 0.287 0.840 0.360 CB 1.061 26 residues pruned to eliminate duplicates Z: 35 14.426 1.743 0.415 0.426 0.941 0.529 CB 1.152 38 residues pruned to eliminate duplicates Z: 8 7.973 1.613 0.415 0.622 1.000 0.714 CB 1.176 8 residues pruned to eliminate duplicates Z: 23 11.935 1.875 0.522 0.441 0.864 0.455 CB 1.097 23 residues pruned to eliminate duplicates Z: 21 8.010 1.745 0.503 0.374 0.850 0.500 CB 0.920 21 residues pruned to eliminate duplicates Z: 68 25.936 1.918 0.577 0.439 0.881 0.582 CB 1.267 68 residues pruned to eliminate duplicates Z: 22 11.249 1.852 0.730 0.371 0.810 0.476 CB 1.087 22 residues pruned to eliminate duplicates Z: 25 13.756 1.879 0.533 0.441 0.875 0.417 CB 1.184 25 residues pruned to eliminate duplicates Z: 45 21.131 1.900 0.602 0.344 0.932 0.614 CB 1.331 45 residues pruned to eliminate duplicates Z: 28 10.512 1.785 0.482 0.382 0.852 0.593 CB 1.018 28 residues pruned to eliminate duplicates Z: 44 16.937 1.886 0.423 0.373 0.930 0.395 CB 1.185 44 residues pruned to eliminate duplicates Z: 31 12.173 1.816 0.456 0.346 0.867 0.433 CB 1.146 31 residues pruned to eliminate duplicates Z: 46 20.458 1.926 0.511 0.354 0.911 0.533 CB 1.347 46 residues pruned to eliminate duplicates Z: 69 26.589 1.894 0.535 0.426 0.897 0.559 CB 1.335 69 residues pruned to eliminate duplicates Z: 28 11.118 1.751 0.442 0.343 0.852 0.481 CB 1.179 28 residues pruned to eliminate duplicates Z: 50 16.598 1.827 0.465 0.297 0.878 0.408 CB 1.267 50 residues pruned to eliminate duplicates Z: 25 11.806 1.831 0.510 0.393 0.875 0.500 CB 1.115 25 residues pruned to eliminate duplicates Z: 42 20.347 1.891 0.564 0.394 0.878 0.488 CB 1.369 42 residues pruned to eliminate duplicates Z: 22 13.373 1.826 0.624 0.309 0.905 0.381 CB 1.343 22 residues pruned to eliminate duplicates Z: 8 7.244 1.840 0.620 0.211 1.000 0.286 CB 1.292 8 residues pruned to eliminate duplicates Z: 30 22.539 1.969 0.688 0.530 0.862 0.690 CB 1.418 30 residues pruned to eliminate duplicates Z: 16 15.917 1.942 0.839 0.375 0.933 0.467 CB 1.409 16 residues pruned to eliminate duplicates Z: 20 13.689 1.885 0.515 0.354 0.895 0.421 CA 1.439 20 residues pruned to eliminate duplicates Z: 42 30.084 1.992 0.685 0.495 0.976 0.561 CA 1.442 42 residues pruned to eliminate duplicates Z: 7 8.269 1.871 0.771 0.557 0.667 0.333 CA 1.446 7 residues pruned to eliminate duplicates Z: 18 18.051 1.936 0.818 0.411 0.941 0.529 CB 1.450 18 residues pruned to eliminate duplicates Z: 20 17.308 1.898 0.717 0.409 1.000 0.579 CA 1.340 20 residues pruned to eliminate duplicates Z: 39 27.351 1.985 0.617 0.495 0.947 0.658 CA 1.466 39 residues pruned to eliminate duplicates Z: 37 20.963 1.908 0.636 0.445 0.889 0.472 CA 1.333 37 residues pruned to eliminate duplicates Z: 41 29.136 1.959 0.684 0.502 0.975 0.575 CA 1.430 41 residues pruned to eliminate duplicates Z: 44 27.717 1.920 0.724 0.492 0.930 0.581 CA 1.383 43 residues pruned to eliminate duplicates Z: 14 15.177 1.962 0.636 0.705 0.769 0.538 CA 1.415 14 residues pruned to eliminate duplicates Z: 42 27.152 1.947 0.680 0.477 0.927 0.537 CA 1.433 42 residues pruned to eliminate duplicates Z: 40 31.646 2.031 0.759 0.524 0.923 0.692 CB 1.501 40 residues pruned to eliminate duplicates Z: 41 25.993 1.958 0.710 0.464 0.950 0.650 CB 1.340 41 residues pruned to eliminate duplicates Z: 41 29.834 2.012 0.718 0.480 0.975 0.625 CA 1.428 41 residues pruned to eliminate duplicates Z: 40 29.850 2.015 0.751 0.487 0.949 0.564 CA 1.447 40 residues pruned to eliminate duplicates Z: 41 28.720 2.000 0.735 0.471 0.950 0.600 CA 1.419 41 residues pruned to eliminate duplicates Z: 42 29.182 2.000 0.698 0.481 0.976 0.707 CA 1.401 42 residues pruned to eliminate duplicates Z: 42 27.398 1.965 0.752 0.496 0.902 0.634 CA 1.383 42 residues pruned to eliminate duplicates Z: 35 24.993 1.964 0.675 0.431 1.000 0.588 CA 1.400 35 residues pruned to eliminate duplicates Z: 42 28.168 1.975 0.651 0.480 0.951 0.561 CB 1.447 42 residues pruned to eliminate duplicates Z: 38 30.489 2.022 0.783 0.488 0.973 0.703 CA 1.447 38 residues pruned to eliminate duplicates Z: 40 24.023 1.978 0.701 0.431 0.897 0.590 CB 1.368 40 residues pruned to eliminate duplicates Z: 43 31.483 1.976 0.813 0.503 0.952 0.595 CA 1.420 43 residues pruned to eliminate duplicates Z: 40 28.730 2.000 0.737 0.460 0.949 0.590 CA 1.454 40 residues pruned to eliminate duplicates Z: 43 29.860 1.952 0.835 0.481 0.905 0.476 CB 1.450 43 residues pruned to eliminate duplicates Z: 42 32.150 1.976 0.834 0.500 0.951 0.512 CB 1.457 42 residues pruned to eliminate duplicates Z: 41 31.594 1.992 0.819 0.506 0.950 0.450 CB 1.442 41 residues pruned to eliminate duplicates Z: 41 33.651 2.010 0.827 0.537 0.975 0.625 CA 1.432 42 residues pruned to eliminate duplicates Z: 13 13.929 1.857 0.543 0.512 1.000 0.500 CB 1.387 13 residues pruned to eliminate duplicates Z: 27 16.917 1.974 0.681 0.391 0.923 0.615 CB 1.215 27 residues pruned to eliminate duplicates Z: 36 15.448 1.875 0.418 0.447 0.886 0.571 CB 1.172 36 residues pruned to eliminate duplicates Z: 33 12.691 1.915 0.376 0.382 0.812 0.625 CB 1.188 33 residues pruned to eliminate duplicates Z: 27 14.892 1.956 0.552 0.396 0.885 0.615 CB 1.213 27 residues pruned to eliminate duplicates Z: 38 15.756 1.871 0.496 0.441 0.838 0.432 CB 1.174 38 residues pruned to eliminate duplicates Z: 31 12.380 1.893 0.235 0.437 0.900 0.633 CB 1.147 31 residues pruned to eliminate duplicates Z: 35 17.065 1.901 0.536 0.466 0.912 0.559 CB 1.138 35 residues pruned to eliminate duplicates Z: 27 15.793 1.973 0.501 0.398 0.923 0.615 CB 1.262 27 residues pruned to eliminate duplicates Z: 37 19.635 1.904 0.527 0.445 0.972 0.528 CB 1.225 39 residues pruned to eliminate duplicates Z: 10 9.672 1.801 0.526 0.425 0.889 0.778 CB 1.427 10 residues pruned to eliminate duplicates Z: 38 15.173 1.846 0.599 0.421 0.811 0.514 CB 1.131 38 residues pruned to eliminate duplicates Z: 29 13.478 1.940 0.503 0.402 0.857 0.571 CB 1.130 29 residues pruned to eliminate duplicates Z: 27 15.267 1.984 0.537 0.417 0.885 0.615 CB 1.211 27 residues pruned to eliminate duplicates Z: 27 14.486 1.971 0.465 0.408 0.885 0.538 CB 1.226 27 residues pruned to eliminate duplicates Z: 47 16.985 1.845 0.438 0.400 0.870 0.565 CB 1.206 47 residues pruned to eliminate duplicates Z: 19 10.937 1.909 0.354 0.372 0.944 0.611 CB 1.211 19 residues pruned to eliminate duplicates Z: 38 14.074 1.851 0.466 0.407 0.811 0.486 CB 1.159 38 residues pruned to eliminate duplicates Z: 15 9.524 2.019 0.336 0.369 0.929 0.857 CB 1.169 15 residues pruned to eliminate duplicates Z: 35 17.076 1.902 0.517 0.452 0.912 0.559 CB 1.169 35 residues pruned to eliminate duplicates Z: 38 15.799 1.868 0.494 0.476 0.892 0.595 CB 1.069 38 residues pruned to eliminate duplicates Z: 37 17.958 1.867 0.581 0.439 0.944 0.556 CB 1.143 37 residues pruned to eliminate duplicates Z: 17 9.064 1.835 0.400 0.467 0.812 0.438 CB 1.122 17 residues pruned to eliminate duplicates Z: 25 12.935 1.943 0.404 0.404 0.917 0.583 CB 1.167 25 residues pruned to eliminate duplicates Z: 18 10.415 1.922 0.498 0.449 0.882 0.588 CB 1.048 18 residues pruned to eliminate duplicates Z: 36 18.997 1.897 0.554 0.442 0.971 0.543 CB 1.190 36 residues pruned to eliminate duplicates Z: 38 17.369 1.871 0.556 0.432 0.892 0.568 CB 1.180 38 residues pruned to eliminate duplicates Z: 37 16.175 1.888 0.547 0.407 0.889 0.528 CB 1.145 37 residues pruned to eliminate duplicates Z: 36 17.267 1.877 0.598 0.412 0.914 0.343 CB 1.167 36 residues pruned to eliminate duplicates Z: 37 18.334 1.857 0.603 0.449 0.944 0.528 CB 1.146 37 residues pruned to eliminate duplicates Z: 15 7.995 1.662 0.553 0.357 0.857 0.357 CB 1.127 15 residues pruned to eliminate duplicates Z: 38 15.429 1.841 0.504 0.430 0.865 0.541 CB 1.138 38 residues pruned to eliminate duplicates Z: 38 13.980 1.838 0.423 0.420 0.838 0.649 CB 1.140 38 residues pruned to eliminate duplicates Z: 19 10.527 1.698 0.562 0.478 0.833 0.611 CB 1.148 19 residues pruned to eliminate duplicates Z: 66 26.432 1.949 0.548 0.452 0.877 0.585 CB 1.301 79 residues pruned to eliminate duplicates Z: 14 16.538 2.079 0.297 0.747 0.846 0.769 CA 1.612 14 residues pruned to eliminate duplicates Z: 30 29.510 2.039 0.777 0.553 0.897 0.621 CB 1.602 30 residues pruned to eliminate duplicates Z: 41 31.069 2.011 0.713 0.535 0.950 0.550 CB 1.450 41 residues pruned to eliminate duplicates Z: 41 28.733 2.001 0.703 0.530 0.925 0.625 CB 1.400 41 residues pruned to eliminate duplicates Z: 28 31.041 2.115 0.707 0.559 1.000 0.704 CB 1.563 28 residues pruned to eliminate duplicates Z: 29 27.638 2.052 0.734 0.542 0.929 0.643 CB 1.517 29 residues pruned to eliminate duplicates Z: 39 30.364 2.038 0.739 0.512 0.947 0.526 CB 1.450 40 residues pruned to eliminate duplicates Z: 13 27.224 2.125 0.771 0.868 1.000 0.833 CA 1.526 13 residues pruned to eliminate duplicates Z: 19 20.615 2.098 0.741 0.567 0.833 0.778 CB 1.495 19 residues pruned to eliminate duplicates Z: 41 32.757 1.996 0.877 0.531 0.975 0.650 CB 1.376 41 residues pruned to eliminate duplicates Z: 40 30.225 1.994 0.829 0.512 0.923 0.564 CB 1.421 40 residues pruned to eliminate duplicates Z: 31 30.764 2.081 0.745 0.541 0.933 0.667 CB 1.593 31 residues pruned to eliminate duplicates Z: 36 29.306 2.003 0.793 0.470 0.914 0.514 CB 1.556 36 residues pruned to eliminate duplicates Z: 29 31.565 2.070 1.002 0.506 0.929 0.607 CB 1.541 28 residues pruned to eliminate duplicates Z: 7 6.803 1.527 0.971 0.264 1.000 0.333 CA 1.207 7 residues pruned to eliminate duplicates Z: 40 33.173 2.014 0.983 0.512 0.923 0.462 CB 1.424 40 residues pruned to eliminate duplicates Z: 9 10.667 1.864 0.877 0.586 0.750 0.375 CB 1.323 9 residues pruned to eliminate duplicates Z: 14 15.097 1.987 0.878 0.477 0.846 0.385 CB 1.357 14 residues pruned to eliminate duplicates Z: 33 18.106 1.897 0.678 0.425 0.781 0.438 CB 1.391 33 residues pruned to eliminate duplicates Z: 20 16.930 1.996 0.763 0.456 0.895 0.421 CB 1.291 20 residues pruned to eliminate duplicates Z: 20 16.325 1.997 0.647 0.449 0.842 0.263 CB 1.425 20 residues pruned to eliminate duplicates Z: 41 26.437 1.925 0.848 0.520 0.875 0.475 CB 1.317 41 residues pruned to eliminate duplicates Z: 21 18.310 2.025 0.675 0.453 0.850 0.200 CB 1.489 21 residues pruned to eliminate duplicates Z: 22 18.301 1.940 0.759 0.428 0.905 0.381 CB 1.394 21 residues pruned to eliminate duplicates Z: 7 5.363 1.543 1.307 0.387 0.667 0.500 CA 1.040 7 residues pruned to eliminate duplicates Z: 20 17.311 2.015 0.767 0.452 0.842 0.368 CB 1.392 20 residues pruned to eliminate duplicates Z: 21 17.902 1.975 0.633 0.443 0.900 0.350 CB 1.462 21 residues pruned to eliminate duplicates Z: 24 12.876 1.987 0.785 0.308 0.783 0.261 CB 1.197 24 residues pruned to eliminate duplicates Z: 7 2.684 1.654 0.493 0.367 0.500 0.167 CA 1.023 26 residues pruned to eliminate duplicates Z: 6 4.417 1.675 0.553 0.324 0.800 0.600 N 1.153 6 residues pruned to eliminate duplicates Z: 50 17.867 1.871 0.501 0.401 0.878 0.510 CB 1.150 50 residues pruned to eliminate duplicates Z: 10 6.630 1.689 0.557 0.592 0.889 0.778 CA 0.865 10 residues pruned to eliminate duplicates Z: 23 7.145 1.700 0.494 0.281 0.682 0.455 CA 1.127 23 residues pruned to eliminate duplicates Z: 13 7.745 1.745 0.458 0.372 0.917 0.583 CA 1.099 13 residues pruned to eliminate duplicates Z: 51 22.056 1.894 0.481 0.463 0.900 0.560 CB 1.283 51 residues pruned to eliminate duplicates Z: 44 18.311 1.882 0.578 0.394 0.837 0.395 CB 1.257 44 residues pruned to eliminate duplicates Z: 43 20.481 1.948 0.534 0.474 0.857 0.643 CB 1.267 43 residues pruned to eliminate duplicates Z: 45 23.982 1.924 0.621 0.473 0.932 0.545 CB 1.278 43 residues pruned to eliminate duplicates Z: 9 6.987 1.440 0.965 0.497 0.750 0.500 O 1.168 9 residues pruned to eliminate duplicates Z: 49 21.321 1.916 0.606 0.432 0.833 0.500 CB 1.287 49 residues pruned to eliminate duplicates Z: 37 21.538 2.016 0.435 0.495 0.944 0.556 CB 1.320 37 residues pruned to eliminate duplicates Z: 38 20.638 2.003 0.460 0.489 0.892 0.595 CB 1.316 38 residues pruned to eliminate duplicates Z: 78 29.522 1.935 0.465 0.540 0.870 0.597 CB 1.311 79 residues pruned to eliminate duplicates Z: 6 4.769 1.479 0.830 0.871 0.800 0.200 CA 0.718 6 residues pruned to eliminate duplicates Z: 49 20.716 1.902 0.590 0.464 0.854 0.458 CB 1.201 49 residues pruned to eliminate duplicates Z: 43 23.314 1.908 0.663 0.473 0.952 0.476 CB 1.224 43 residues pruned to eliminate duplicates Z: 37 22.609 2.010 0.595 0.492 0.917 0.417 CB 1.292 37 residues pruned to eliminate duplicates Z: 36 19.701 1.992 0.500 0.498 0.914 0.686 CB 1.220 36 residues pruned to eliminate duplicates Z: 91 36.701 1.940 0.583 0.556 0.867 0.611 CB 1.378 91 residues pruned to eliminate duplicates Z: 41 20.400 1.935 0.582 0.465 0.875 0.475 CB 1.249 41 residues pruned to eliminate duplicates Z: 28 18.287 1.946 0.723 0.546 0.889 0.481 CB 1.130 28 residues pruned to eliminate duplicates Z: 38 22.077 1.961 0.704 0.488 0.919 0.514 CB 1.197 38 residues pruned to eliminate duplicates Z: 43 21.449 1.936 0.595 0.469 0.857 0.571 CB 1.291 43 residues pruned to eliminate duplicates Z: 38 20.512 1.976 0.591 0.449 0.865 0.486 CB 1.306 38 residues pruned to eliminate duplicates Z: 51 21.741 1.897 0.654 0.429 0.840 0.480 CB 1.256 51 residues pruned to eliminate duplicates Z: 43 24.699 1.948 0.631 0.478 0.952 0.429 CB 1.288 43 residues pruned to eliminate duplicates Z: 43 20.208 1.905 0.673 0.440 0.857 0.548 CB 1.214 43 residues pruned to eliminate duplicates Z: 44 19.310 1.921 0.567 0.482 0.837 0.558 CB 1.190 44 residues pruned to eliminate duplicates Z: 27 18.996 2.001 0.623 0.551 0.923 0.500 CB 1.182 27 residues pruned to eliminate duplicates Z: 62 32.376 1.979 0.571 0.561 0.918 0.574 CB 1.369 62 residues pruned to eliminate duplicates Z: 28 21.364 1.881 0.860 0.545 0.926 0.593 CB 1.214 28 residues pruned to eliminate duplicates Z: 38 21.258 1.961 0.739 0.451 0.865 0.486 CB 1.245 38 residues pruned to eliminate duplicates Z: 41 25.758 2.013 0.748 0.491 0.925 0.575 CB 1.263 41 residues pruned to eliminate duplicates Z: 10 11.133 1.975 0.660 0.385 0.889 0.556 CB 1.439 10 residues pruned to eliminate duplicates Z: 40 25.087 1.952 0.562 0.590 0.872 0.590 CA 1.387 40 residues pruned to eliminate duplicates Z: 50 23.784 1.908 0.707 0.460 0.878 0.469 CB 1.239 50 residues pruned to eliminate duplicates Z: 25 16.237 1.951 0.695 0.430 0.875 0.417 CB 1.232 25 residues pruned to eliminate duplicates Z: 45 18.857 1.874 0.501 0.397 0.886 0.409 CB 1.271 45 residues pruned to eliminate duplicates Z: 12 9.360 1.852 0.702 0.355 0.818 0.545 CA 1.280 12 residues pruned to eliminate duplicates Z: 11 8.299 1.864 0.603 0.310 0.800 0.300 CA 1.355 11 residues pruned to eliminate duplicates Z: 12 6.380 1.785 0.278 0.299 0.818 0.273 CA 1.290 12 residues pruned to eliminate duplicates Z: 11 8.902 1.968 0.532 0.269 0.900 0.300 CA 1.348 11 residues pruned to eliminate duplicates Z: 38 22.406 1.981 0.384 0.592 0.838 0.541 CA 1.469 38 residues pruned to eliminate duplicates Z: 20 19.482 1.960 0.389 0.794 0.895 0.789 CA 1.419 20 residues pruned to eliminate duplicates Z: 30 21.782 1.944 0.430 0.670 0.931 0.828 CA 1.336 30 residues pruned to eliminate duplicates Z: 12 11.764 1.886 0.365 0.569 1.000 0.636 CB 1.289 12 residues pruned to eliminate duplicates Z: 28 25.552 1.992 0.685 0.704 0.926 0.741 CA 1.314 28 residues pruned to eliminate duplicates Z: 13 13.527 1.871 0.639 0.500 0.917 0.667 CA 1.390 13 residues pruned to eliminate duplicates Z: 41 26.120 1.944 0.455 0.718 0.950 0.725 CA 1.263 41 residues pruned to eliminate duplicates Z: 29 22.167 1.883 0.567 0.678 0.964 0.750 CA 1.250 29 residues pruned to eliminate duplicates Z: 12 18.227 1.939 0.799 0.527 1.000 0.455 CB 1.533 12 residues pruned to eliminate duplicates Z: 28 21.387 1.997 0.536 0.696 0.926 0.704 CA 1.211 28 residues pruned to eliminate duplicates Z: 29 24.733 1.973 0.557 0.688 0.964 0.821 CA 1.328 29 residues pruned to eliminate duplicates Z: 25 25.658 2.060 0.423 0.798 1.000 0.625 CA 1.376 25 residues pruned to eliminate duplicates Z: 28 23.011 1.987 0.414 0.743 0.963 0.852 CA 1.317 28 residues pruned to eliminate duplicates Z: 30 23.619 1.967 0.372 0.679 0.931 0.655 CA 1.481 30 residues pruned to eliminate duplicates Z: 29 22.798 1.953 0.490 0.705 0.929 0.679 CA 1.324 29 residues pruned to eliminate duplicates Z: 21 28.614 1.995 0.686 0.801 1.000 0.800 CA 1.462 21 residues pruned to eliminate duplicates Z: 35 22.857 1.866 0.623 0.608 0.912 0.676 CB 1.281 35 residues pruned to eliminate duplicates Z: 33 28.990 1.993 0.638 0.689 0.969 0.750 CA 1.363 33 residues pruned to eliminate duplicates Z: 81 40.551 1.970 0.659 0.619 0.913 0.625 CB 1.359 81 residues pruned to eliminate duplicates Z: 35 24.989 1.945 0.575 0.648 0.912 0.706 CB 1.337 35 residues pruned to eliminate duplicates Z: 29 28.815 1.996 0.692 0.697 0.964 0.643 CA 1.398 29 residues pruned to eliminate duplicates Z: 32 28.961 2.036 0.633 0.735 0.903 0.742 CB 1.402 32 residues pruned to eliminate duplicates Z: 36 30.335 1.967 0.644 0.672 1.000 0.771 CA 1.353 36 residues pruned to eliminate duplicates Z: 36 29.035 1.959 0.734 0.630 0.971 0.629 CB 1.317 36 residues pruned to eliminate duplicates Z: 41 31.308 1.990 0.718 0.619 0.950 0.600 CA 1.362 41 residues pruned to eliminate duplicates Z: 67 33.679 1.933 0.660 0.568 0.879 0.591 CA 1.377 67 residues pruned to eliminate duplicates Z: 11 7.686 1.800 0.359 0.436 0.900 0.400 CA 1.179 11 residues pruned to eliminate duplicates Z: 35 26.802 1.985 0.591 0.683 0.941 0.735 CA 1.307 35 residues pruned to eliminate duplicates Z: 7 6.020 1.722 0.268 0.559 1.000 0.667 CA 1.063 7 residues pruned to eliminate duplicates Z: 53 33.821 1.963 0.702 0.617 0.942 0.692 CB 1.333 53 residues pruned to eliminate duplicates Z: 39 29.555 1.941 0.684 0.662 0.974 0.605 CA 1.296 39 residues pruned to eliminate duplicates Z: 10 7.394 1.862 0.230 0.562 0.889 0.556 CB 1.140 10 residues pruned to eliminate duplicates Z: 41 25.363 1.869 0.676 0.607 0.900 0.600 CB 1.285 41 residues pruned to eliminate duplicates Z: 17 7.579 1.756 0.330 0.504 0.750 0.562 CB 1.077 17 residues pruned to eliminate duplicates Z: 77 38.611 1.952 0.698 0.565 0.908 0.632 CB 1.381 77 residues pruned to eliminate duplicates Z: 54 29.896 1.962 0.670 0.561 0.906 0.566 CB 1.304 54 residues pruned to eliminate duplicates Z: 46 30.271 1.980 0.681 0.614 0.911 0.578 CB 1.336 46 residues pruned to eliminate duplicates Z: 7 5.173 1.733 0.347 0.432 0.833 0.500 CB 1.164 7 residues pruned to eliminate duplicates Z: 46 31.910 1.999 0.719 0.584 0.956 0.667 CA 1.337 46 residues pruned to eliminate duplicates Z: 43 27.259 2.013 0.661 0.568 0.881 0.667 CA 1.337 43 residues pruned to eliminate duplicates Z: 45 30.928 2.014 0.663 0.602 0.932 0.750 CA 1.355 45 residues pruned to eliminate duplicates Z: 45 30.179 1.995 0.704 0.590 0.909 0.705 CA 1.351 45 residues pruned to eliminate duplicates Z: 44 31.884 2.001 0.660 0.596 0.953 0.605 CA 1.402 44 residues pruned to eliminate duplicates Z: 38 31.575 2.058 0.674 0.641 0.946 0.757 CA 1.395 38 residues pruned to eliminate duplicates Z: 6 3.874 1.530 0.575 0.314 0.800 0.400 CA 1.104 Z: 8 6.021 1.503 0.475 0.508 1.000 0.714 CB 1.018 14 residues pruned to eliminate duplicates Z: 39 31.202 2.035 0.674 0.622 0.921 0.658 CA 1.438 39 residues pruned to eliminate duplicates Z: 39 34.312 2.019 0.810 0.614 0.947 0.605 CB 1.444 39 residues pruned to eliminate duplicates Z: 6 7.371 1.523 0.633 0.813 1.000 0.400 CA 1.010 6 residues pruned to eliminate duplicates Z: 46 32.331 1.986 0.750 0.580 0.933 0.711 CB 1.375 44 residues pruned to eliminate duplicates Z: 13 15.714 1.939 0.528 0.726 0.833 0.500 CA 1.499 13 residues pruned to eliminate duplicates Z: 79 44.904 2.007 0.697 0.626 0.962 0.679 CB 1.378 79 residues pruned to eliminate duplicates Z: 42 32.096 2.024 0.743 0.585 0.927 0.634 CA 1.414 42 residues pruned to eliminate duplicates Z: 39 30.320 2.023 0.681 0.579 0.921 0.632 CB 1.455 41 residues pruned to eliminate duplicates Z: 13 24.015 1.980 1.060 0.843 0.917 0.667 CA 1.381 13 residues pruned to eliminate duplicates Z: 39 34.304 2.026 0.795 0.575 0.974 0.605 CB 1.462 39 residues pruned to eliminate duplicates Z: 38 35.018 2.056 0.769 0.596 0.973 0.676 CA 1.484 38 residues pruned to eliminate duplicates Z: 14 20.641 1.910 0.936 0.809 0.923 0.846 CA 1.282 14 residues pruned to eliminate duplicates Z: 80 45.175 1.994 0.757 0.611 0.987 0.658 CB 1.323 80 residues pruned to eliminate duplicates Z: 38 37.179 2.047 0.841 0.613 0.973 0.622 CB 1.497 38 residues pruned to eliminate duplicates Z: 46 33.058 1.986 0.762 0.575 0.933 0.578 CB 1.404 46 residues pruned to eliminate duplicates Z: 46 30.558 1.974 0.694 0.562 0.978 0.600 CB 1.312 46 residues pruned to eliminate duplicates Z: 39 31.727 2.011 0.824 0.584 0.895 0.605 CB 1.447 39 residues pruned to eliminate duplicates Z: 46 31.588 1.984 0.734 0.543 0.956 0.600 CA 1.373 46 residues pruned to eliminate duplicates Z: 6 3.263 1.342 1.122 0.381 0.800 0.800 CA 0.727 6 residues pruned to eliminate duplicates Z: 45 31.166 2.010 0.711 0.561 0.932 0.591 CB 1.382 45 residues pruned to eliminate duplicates Z: 45 35.142 2.008 0.821 0.595 0.955 0.659 CB 1.386 45 residues pruned to eliminate duplicates Z: 36 32.640 2.075 0.700 0.613 0.971 0.743 CB 1.447 36 residues pruned to eliminate duplicates Z: 47 29.178 1.968 0.650 0.579 0.935 0.609 CB 1.314 47 residues pruned to eliminate duplicates Z: 46 29.819 1.986 0.728 0.575 0.911 0.578 CB 1.322 46 residues pruned to eliminate duplicates Z: 11 8.409 1.887 0.630 0.399 0.800 0.300 CB 1.202 11 residues pruned to eliminate duplicates Z: 11 6.067 1.842 0.558 0.357 0.700 0.400 CB 1.114 11 residues pruned to eliminate duplicates Z: 42 17.683 1.797 0.554 0.407 0.854 0.415 CB 1.277 42 residues pruned to eliminate duplicates Z: 13 8.392 1.797 0.606 0.374 0.833 0.250 CB 1.152 13 residues pruned to eliminate duplicates Z: 15 9.488 1.790 0.824 0.297 0.857 0.214 CB 1.137 15 residues pruned to eliminate duplicates Z: 14 5.974 1.732 0.323 0.336 0.769 0.385 CB 1.125 14 residues pruned to eliminate duplicates Z: 14 6.151 1.773 0.338 0.309 0.846 0.154 CB 1.051 14 residues pruned to eliminate duplicates Z: 14 8.280 1.848 0.461 0.281 0.923 0.462 CA 1.180 14 residues pruned to eliminate duplicates Z: 43 18.110 1.851 0.407 0.466 0.905 0.571 CB 1.228 43 residues pruned to eliminate duplicates Z: 26 10.710 1.801 0.562 0.414 0.880 0.520 CB 0.947 26 residues pruned to eliminate duplicates Z: 29 14.586 1.881 0.542 0.318 0.929 0.571 CA 1.252 29 residues pruned to eliminate duplicates Z: 12 12.982 1.945 0.507 0.509 0.909 0.818 CB 1.456 12 residues pruned to eliminate duplicates Z: 34 15.465 1.867 0.512 0.411 0.879 0.485 CB 1.192 34 residues pruned to eliminate duplicates Z: 42 13.310 1.797 0.386 0.419 0.854 0.537 CB 1.064 42 residues pruned to eliminate duplicates Z: 15 10.701 1.817 0.471 0.383 0.857 0.500 CB 1.413 15 residues pruned to eliminate duplicates Z: 20 8.883 1.692 0.417 0.328 0.842 0.526 CB 1.219 20 residues pruned to eliminate duplicates Z: 21 12.970 1.761 0.554 0.531 0.900 0.400 CB 1.142 21 residues pruned to eliminate duplicates Z: 15 9.916 1.917 0.438 0.439 0.786 0.500 CB 1.303 15 residues pruned to eliminate duplicates Z: 17 10.802 1.810 0.415 0.426 0.875 0.625 CB 1.302 17 residues pruned to eliminate duplicates Z: 38 15.214 1.865 0.455 0.426 0.892 0.459 CB 1.116 38 residues pruned to eliminate duplicates Z: 20 14.326 1.893 0.361 0.485 0.895 0.579 CB 1.447 20 residues pruned to eliminate duplicates Z: 21 8.818 1.775 0.365 0.343 0.800 0.400 CB 1.206 21 residues pruned to eliminate duplicates Z: 21 9.498 1.796 0.326 0.401 0.850 0.450 CB 1.165 21 residues pruned to eliminate duplicates Z: 21 14.590 1.876 0.375 0.476 0.900 0.450 CB 1.440 21 residues pruned to eliminate duplicates Z: 20 13.658 1.833 0.397 0.480 0.947 0.579 CB 1.319 20 residues pruned to eliminate duplicates Z: 44 16.940 1.823 0.443 0.422 0.907 0.558 CB 1.175 44 residues pruned to eliminate duplicates Z: 20 8.243 1.783 0.150 0.403 0.789 0.474 CB 1.293 20 residues pruned to eliminate duplicates Z: 40 15.433 1.808 0.191 0.522 0.897 0.641 CB 1.251 40 residues pruned to eliminate duplicates Z: 40 23.657 1.865 0.323 0.633 0.949 0.615 CB 1.429 40 residues pruned to eliminate duplicates Z: 49 18.850 1.740 0.475 0.483 0.896 0.646 CB 1.204 49 residues pruned to eliminate duplicates Z: 12 6.720 1.721 0.146 0.452 0.818 0.455 CB 1.320 12 residues pruned to eliminate duplicates Z: 33 14.371 1.804 0.339 0.458 0.875 0.594 CB 1.254 33 residues pruned to eliminate duplicates Z: 62 30.730 1.916 0.504 0.580 0.934 0.639 CB 1.353 62 residues pruned to eliminate duplicates Z: 37 18.503 1.838 0.328 0.561 0.944 0.611 CB 1.260 37 residues pruned to eliminate duplicates Z: 43 20.964 1.864 0.449 0.566 0.857 0.595 CB 1.310 43 residues pruned to eliminate duplicates Z: 27 19.283 1.926 0.358 0.636 0.962 0.731 CA 1.324 27 residues pruned to eliminate duplicates Z: 58 26.920 1.896 0.483 0.598 0.895 0.667 CB 1.291 58 residues pruned to eliminate duplicates Z: 20 18.949 1.975 0.440 0.781 0.947 0.737 CA 1.260 20 residues pruned to eliminate duplicates Z: 29 17.478 1.854 0.526 0.514 0.893 0.464 CB 1.289 29 residues pruned to eliminate duplicates Z: 34 13.772 1.862 0.332 0.378 0.848 0.364 CB 1.297 34 residues pruned to eliminate duplicates Z: 86 32.569 1.910 0.462 0.568 0.906 0.576 CB 1.308 86 residues pruned to eliminate duplicates Z: 42 22.030 1.875 0.345 0.614 0.878 0.683 CB 1.395 42 residues pruned to eliminate duplicates Z: 30 19.114 1.856 0.502 0.595 0.897 0.552 CA 1.296 30 residues pruned to eliminate duplicates Z: 42 23.288 1.858 0.462 0.613 0.927 0.683 CB 1.299 42 residues pruned to eliminate duplicates Z: 41 19.961 1.814 0.459 0.495 0.900 0.550 CB 1.332 41 residues pruned to eliminate duplicates Z: 28 25.646 1.884 0.585 0.712 0.963 0.704 CA 1.416 28 residues pruned to eliminate duplicates Z: 41 23.082 1.832 0.451 0.669 0.950 0.700 CB 1.236 41 residues pruned to eliminate duplicates Z: 32 28.897 1.941 0.669 0.715 0.968 0.645 CB 1.363 32 residues pruned to eliminate duplicates Z: 55 25.220 1.864 0.434 0.580 0.926 0.648 CB 1.284 55 residues pruned to eliminate duplicates Z: 44 21.636 1.851 0.469 0.586 0.860 0.581 CB 1.299 44 residues pruned to eliminate duplicates Z: 44 25.810 1.887 0.537 0.615 0.907 0.558 CB 1.341 44 residues pruned to eliminate duplicates Z: 26 29.438 1.984 0.626 0.806 0.960 0.720 CB 1.455 26 residues pruned to eliminate duplicates Z: 38 30.499 1.941 0.671 0.678 0.973 0.568 CB 1.349 38 residues pruned to eliminate duplicates Z: 41 25.985 1.891 0.518 0.683 0.900 0.675 CB 1.344 41 residues pruned to eliminate duplicates Z: 28 26.128 1.982 0.580 0.736 0.963 0.593 CB 1.350 28 residues pruned to eliminate duplicates Z: 27 25.393 1.929 0.611 0.747 0.923 0.654 CB 1.392 27 residues pruned to eliminate duplicates Z: 38 26.355 1.925 0.587 0.696 0.946 0.676 CB 1.253 38 residues pruned to eliminate duplicates Z: 53 27.009 1.839 0.524 0.621 0.962 0.558 CB 1.240 53 residues pruned to eliminate duplicates Z: 38 27.496 1.905 0.596 0.661 0.946 0.541 CB 1.354 38 residues pruned to eliminate duplicates Z: 40 32.856 1.952 0.664 0.680 1.000 0.641 CB 1.373 40 residues pruned to eliminate duplicates Z: 53 30.666 1.931 0.590 0.616 0.923 0.538 CB 1.345 53 residues pruned to eliminate duplicates Z: 84 33.832 1.908 0.547 0.599 0.880 0.627 CB 1.302 84 residues pruned to eliminate duplicates Z: 43 24.243 1.910 0.497 0.651 0.905 0.524 CB 1.256 43 residues pruned to eliminate duplicates Z: 38 34.374 1.937 0.784 0.711 1.000 0.568 CB 1.350 38 residues pruned to eliminate duplicates Z: 98 35.494 1.926 0.462 0.526 0.918 0.567 CB 1.360 98 residues pruned to eliminate duplicates Z: 69 25.763 1.831 0.451 0.522 0.912 0.574 CB 1.263 69 residues pruned to eliminate duplicates Z: 58 26.249 1.854 0.525 0.539 0.947 0.544 CB 1.250 58 residues pruned to eliminate duplicates Z: 83 32.025 1.917 0.431 0.565 0.951 0.659 CB 1.272 83 residues pruned to eliminate duplicates Z: 88 32.141 1.900 0.452 0.527 0.897 0.621 CB 1.357 88 residues pruned to eliminate duplicates Z: 11 5.973 1.831 0.047 0.469 0.900 0.300 CB 1.130 11 residues pruned to eliminate duplicates Z: 55 23.475 1.894 0.525 0.517 0.870 0.556 CB 1.249 55 residues pruned to eliminate duplicates Z: 46 22.324 1.936 0.365 0.533 0.889 0.578 CB 1.371 46 residues pruned to eliminate duplicates Z: 45 21.505 1.903 0.441 0.515 0.864 0.568 CB 1.349 45 residues pruned to eliminate duplicates Z: 28 9.802 1.754 0.269 0.348 0.852 0.481 CB 1.173 66 residues pruned to eliminate duplicates Z: 44 21.603 1.877 0.475 0.504 0.884 0.581 CB 1.341 44 residues pruned to eliminate duplicates Z: 48 24.076 1.914 0.395 0.515 0.936 0.596 CB 1.383 48 residues pruned to eliminate duplicates Z: 46 22.677 1.895 0.436 0.519 0.889 0.667 CB 1.372 46 residues pruned to eliminate duplicates Z: 36 22.042 1.906 0.553 0.565 0.886 0.600 CA 1.334 36 residues pruned to eliminate duplicates Z: 36 27.583 1.955 0.611 0.611 0.971 0.629 CA 1.372 36 residues pruned to eliminate duplicates Z: 44 23.188 1.910 0.478 0.517 0.930 0.651 CB 1.324 44 residues pruned to eliminate duplicates Z: 44 25.442 1.924 0.470 0.550 0.953 0.605 CB 1.371 44 residues pruned to eliminate duplicates Z: 48 22.454 1.906 0.466 0.527 0.894 0.574 CB 1.278 48 residues pruned to eliminate duplicates Z: 42 22.572 1.901 0.590 0.484 0.829 0.512 CB 1.428 42 residues pruned to eliminate duplicates Z: 21 15.581 1.823 0.705 0.454 0.850 0.750 CA 1.382 21 residues pruned to eliminate duplicates Z: 41 25.201 1.939 0.583 0.542 0.925 0.600 CB 1.347 41 residues pruned to eliminate duplicates Z: 20 15.795 1.894 0.695 0.464 0.842 0.632 CA 1.390 20 residues pruned to eliminate duplicates Z: 56 23.779 1.881 0.478 0.485 0.909 0.582 CB 1.288 56 residues pruned to eliminate duplicates Z: 56 24.980 1.890 0.507 0.489 0.945 0.582 CB 1.265 56 residues pruned to eliminate duplicates Z: 43 23.035 1.932 0.420 0.524 0.905 0.595 CA 1.400 43 residues pruned to eliminate duplicates Z: 76 34.078 1.948 0.491 0.603 0.920 0.600 CB 1.335 76 residues pruned to eliminate duplicates Z: 42 20.748 1.892 0.433 0.504 0.854 0.610 CB 1.395 42 residues pruned to eliminate duplicates Z: 61 20.827 1.885 0.368 0.416 0.867 0.567 CB 1.314 61 residues pruned to eliminate duplicates Z: 92 30.126 1.862 0.429 0.530 0.923 0.538 CB 1.248 92 residues pruned to eliminate duplicates Z: 37 23.025 1.942 0.468 0.555 0.944 0.639 CB 1.351 37 residues pruned to eliminate duplicates Z: 41 20.858 1.927 0.459 0.529 0.875 0.600 CB 1.302 41 residues pruned to eliminate duplicates Z: 47 22.944 1.896 0.440 0.548 0.935 0.696 CB 1.264 47 residues pruned to eliminate duplicates Z: 40 22.077 1.921 0.517 0.473 0.872 0.590 CB 1.430 40 residues pruned to eliminate duplicates Z: 42 20.642 1.908 0.468 0.535 0.902 0.610 CB 1.233 42 residues pruned to eliminate duplicates Z: 43 24.609 1.896 0.464 0.557 0.952 0.548 CA 1.360 43 residues pruned to eliminate duplicates Z: 42 24.622 1.913 0.609 0.500 0.902 0.659 CB 1.385 42 residues pruned to eliminate duplicates Z: 38 22.773 1.912 0.540 0.503 0.892 0.622 CA 1.421 38 residues pruned to eliminate duplicates Z: 42 23.352 1.904 0.587 0.493 0.854 0.610 CB 1.423 42 residues pruned to eliminate duplicates Z: 37 26.130 1.930 0.668 0.537 0.944 0.639 CA 1.381 37 residues pruned to eliminate duplicates Z: 49 21.240 1.900 0.445 0.509 0.875 0.562 CB 1.265 49 residues pruned to eliminate duplicates Z: 49 22.388 1.850 0.575 0.467 0.896 0.562 CB 1.280 49 residues pruned to eliminate duplicates Z: 37 25.986 1.919 0.618 0.570 0.972 0.611 CB 1.341 37 residues pruned to eliminate duplicates Z: 39 24.046 1.879 0.619 0.558 0.921 0.579 CB 1.316 39 residues pruned to eliminate duplicates Z: 43 21.748 1.880 0.557 0.460 0.833 0.524 CB 1.433 43 residues pruned to eliminate duplicates Z: 44 26.953 1.932 0.546 0.547 0.953 0.581 CB 1.379 44 residues pruned to eliminate duplicates Z: 40 25.816 1.940 0.636 0.593 0.872 0.667 CB 1.367 40 residues pruned to eliminate duplicates Z: 84 37.937 1.951 0.772 0.487 0.904 0.566 CB 1.351 54 residues pruned to eliminate duplicates Z: 7 13.955 2.005 0.754 0.634 0.833 0.333 CB 1.714 7 residues pruned to eliminate duplicates Z: 41 31.128 2.013 0.722 0.520 0.925 0.575 CB 1.505 41 residues pruned to eliminate duplicates Z: 20 18.064 1.992 0.837 0.367 0.895 0.421 CB 1.461 20 residues pruned to eliminate duplicates Z: 43 31.108 1.976 0.844 0.490 0.881 0.452 CB 1.510 43 residues pruned to eliminate duplicates Z: 40 33.615 2.020 0.720 0.541 0.949 0.513 CB 1.570 40 residues pruned to eliminate duplicates Z: 42 31.487 2.014 0.772 0.519 0.951 0.610 CB 1.421 42 residues pruned to eliminate duplicates Z: 43 31.684 2.002 0.807 0.499 0.905 0.548 CB 1.496 43 residues pruned to eliminate duplicates Z: 39 30.659 1.916 0.851 0.507 0.921 0.553 CB 1.511 39 residues pruned to eliminate duplicates Z: 41 32.871 1.982 0.901 0.503 0.925 0.500 CB 1.487 41 residues pruned to eliminate duplicates Z: 42 29.163 1.954 0.803 0.495 0.902 0.512 CB 1.439 42 residues pruned to eliminate duplicates Z: 41 32.706 2.010 0.800 0.508 0.950 0.525 CB 1.493 41 residues pruned to eliminate duplicates Z: 41 33.721 2.006 0.944 0.519 0.925 0.575 CB 1.451 41 residues pruned to eliminate duplicates Z: 42 33.249 2.029 0.834 0.501 0.951 0.488 CB 1.466 42 residues pruned to eliminate duplicates Z: 39 33.210 2.048 0.833 0.544 0.921 0.526 CB 1.493 39 residues pruned to eliminate duplicates Z: 40 31.264 2.046 0.762 0.499 0.897 0.615 CA 1.549 40 residues pruned to eliminate duplicates Z: 42 35.256 2.015 0.841 0.480 1.000 0.488 CB 1.514 42 residues pruned to eliminate duplicates Z: 40 34.167 2.042 0.817 0.542 0.949 0.615 CB 1.491 40 residues pruned to eliminate duplicates Z: 39 32.955 2.040 0.725 0.506 0.974 0.579 CB 1.551 39 residues pruned to eliminate duplicates Z: 40 33.870 2.042 0.749 0.510 0.974 0.590 CB 1.543 40 residues pruned to eliminate duplicates Z: 40 34.110 2.007 0.876 0.522 0.949 0.692 CB 1.496 40 residues pruned to eliminate duplicates Z: 40 34.481 2.053 0.847 0.498 0.974 0.487 CB 1.498 40 residues pruned to eliminate duplicates Z: 41 33.837 2.017 0.864 0.477 0.975 0.575 CB 1.494 41 residues pruned to eliminate duplicates Z: 33 29.886 1.950 0.916 0.528 0.938 0.438 CB 1.466 33 residues pruned to eliminate duplicates Z: 39 33.885 2.044 0.882 0.504 0.947 0.526 CB 1.501 39 residues pruned to eliminate duplicates Z: 41 34.467 2.018 0.966 0.517 0.900 0.575 CB 1.501 41 residues pruned to eliminate duplicates Z: 41 31.564 2.033 0.862 0.499 0.900 0.550 CB 1.467 41 residues pruned to eliminate duplicates Z: 41 34.352 2.013 0.887 0.498 0.975 0.450 CB 1.470 41 residues pruned to eliminate duplicates Z: 41 30.585 2.005 0.781 0.465 0.950 0.525 CB 1.477 41 residues pruned to eliminate duplicates Z: 45 32.225 1.966 0.887 0.507 0.886 0.432 CB 1.467 45 residues pruned to eliminate duplicates Z: 41 34.021 2.014 0.888 0.489 0.975 0.525 CB 1.467 41 residues pruned to eliminate duplicates Z: 42 36.920 2.015 0.952 0.494 0.976 0.488 CB 1.512 42 residues pruned to eliminate duplicates Z: 15 12.152 1.923 0.670 0.556 0.857 0.500 CB 1.118 Z: 6 2.694 1.386 0.002 0.407 1.000 0.400 N 0.956 6 residues pruned to eliminate duplicates Z: 41 36.336 2.021 0.915 0.520 0.975 0.500 CB 1.492 56 residues pruned to eliminate duplicates Z: 33 24.048 1.974 0.776 0.549 0.906 0.688 CB 1.275 33 residues pruned to eliminate duplicates Z: 6 4.834 1.805 0.532 0.513 0.800 0.200 CA 0.964 6 residues pruned to eliminate duplicates Z: 32 22.165 2.028 0.749 0.566 0.871 0.645 CB 1.209 32 residues pruned to eliminate duplicates Z: 13 8.466 1.961 0.482 0.361 0.917 0.500 CB 1.066 13 residues pruned to eliminate duplicates Z: 33 18.930 1.978 0.517 0.532 0.938 0.562 CB 1.152 33 residues pruned to eliminate duplicates Z: 26 18.021 2.051 0.462 0.620 0.920 0.720 CB 1.167 26 residues pruned to eliminate duplicates Z: 26 17.409 1.956 0.581 0.519 0.880 0.600 CB 1.255 26 residues pruned to eliminate duplicates Z: 34 20.430 1.991 0.578 0.537 0.879 0.667 CB 1.243 34 residues pruned to eliminate duplicates Z: 28 15.196 2.008 0.441 0.530 0.852 0.741 CB 1.152 28 residues pruned to eliminate duplicates Z: 37 23.389 1.961 0.718 0.522 0.917 0.556 CB 1.236 36 residues pruned to eliminate duplicates Z: 14 20.502 1.873 0.681 0.860 1.000 0.923 CA 1.328 14 residues pruned to eliminate duplicates Z: 27 21.975 2.038 0.649 0.616 0.962 0.500 CB 1.195 27 residues pruned to eliminate duplicates Z: 34 19.785 1.983 0.531 0.549 0.848 0.667 CB 1.273 34 residues pruned to eliminate duplicates Z: 24 17.795 2.032 0.512 0.557 0.913 0.652 CB 1.252 24 residues pruned to eliminate duplicates Z: 33 21.305 2.011 0.605 0.523 0.906 0.406 CB 1.259 33 residues pruned to eliminate duplicates Z: 31 19.684 1.989 0.626 0.557 0.900 0.633 CB 1.168 31 residues pruned to eliminate duplicates Z: 26 18.486 2.038 0.483 0.618 0.920 0.720 CB 1.189 26 residues pruned to eliminate duplicates Z: 26 20.941 2.051 0.574 0.611 0.960 0.680 CB 1.216 26 residues pruned to eliminate duplicates Z: 24 15.413 2.003 0.490 0.520 0.913 0.696 CB 1.157 24 residues pruned to eliminate duplicates Z: 31 18.417 2.000 0.366 0.528 0.933 0.667 CB 1.283 31 residues pruned to eliminate duplicates Z: 28 14.223 1.897 0.467 0.553 0.889 0.519 CB 1.051 28 residues pruned to eliminate duplicates Z: 26 20.976 2.053 0.672 0.621 0.960 0.720 CB 1.135 26 residues pruned to eliminate duplicates Z: 10 12.076 1.976 0.311 0.568 1.000 0.556 CB 1.455 10 residues pruned to eliminate duplicates Z: 29 19.349 1.983 0.863 0.605 0.893 0.607 CB 1.003 29 residues pruned to eliminate duplicates Z: 11 9.235 1.845 0.547 0.421 0.900 0.800 CB 1.234 11 residues pruned to eliminate duplicates Z: 17 13.485 1.850 0.419 0.646 0.938 0.750 CB 1.195 17 residues pruned to eliminate duplicates Z: 16 10.264 1.742 0.374 0.646 0.933 0.600 CB 1.035 16 residues pruned to eliminate duplicates Z: 17 14.704 1.747 0.591 0.688 1.000 0.625 CB 1.114 17 residues pruned to eliminate duplicates Z: 17 17.750 1.841 0.680 0.636 0.938 0.688 CB 1.346 17 residues pruned to eliminate duplicates Z: 21 13.357 1.780 0.475 0.534 0.900 0.550 CB 1.223 21 residues pruned to eliminate duplicates Z: 16 13.947 1.851 0.412 0.635 1.000 0.667 CB 1.215 16 residues pruned to eliminate duplicates Z: 17 10.093 1.792 0.390 0.576 0.875 0.562 CB 1.076 17 residues pruned to eliminate duplicates Z: 18 12.947 1.800 0.375 0.622 0.941 0.353 CB 1.201 18 residues pruned to eliminate duplicates Z: 17 11.345 1.801 0.472 0.552 0.875 0.500 CB 1.162 17 residues pruned to eliminate duplicates Z: 19 12.639 1.805 0.627 0.534 0.889 0.389 CB 1.104 19 residues pruned to eliminate duplicates Z: 15 13.442 1.867 0.481 0.679 0.929 0.643 CB 1.187 15 residues pruned to eliminate duplicates Z: 50 26.876 1.919 0.512 0.595 0.939 0.633 CB 1.287 50 residues pruned to eliminate duplicates Z: 28 13.237 1.779 0.524 0.519 0.889 0.556 CB 1.038 28 residues pruned to eliminate duplicates Z: 16 16.473 1.808 0.632 0.688 1.000 0.733 CB 1.214 16 residues pruned to eliminate duplicates Z: 20 10.145 1.801 0.373 0.595 0.895 0.526 CB 0.961 20 residues pruned to eliminate duplicates Z: 40 26.419 1.940 0.495 0.665 0.949 0.718 CA 1.320 40 residues pruned to eliminate duplicates Z: 50 27.102 1.868 0.600 0.593 0.918 0.673 CB 1.290 50 residues pruned to eliminate duplicates Z: 48 27.135 1.897 0.566 0.605 0.957 0.681 CB 1.259 48 residues pruned to eliminate duplicates Z: 31 24.819 1.979 0.587 0.620 0.933 0.733 CA 1.381 31 residues pruned to eliminate duplicates Z: 47 29.163 1.934 0.541 0.633 0.957 0.674 CB 1.331 47 residues pruned to eliminate duplicates Z: 29 28.034 2.011 0.592 0.689 0.964 0.786 CA 1.444 29 residues pruned to eliminate duplicates Z: 24 26.467 2.055 0.641 0.661 1.000 0.739 CA 1.410 24 residues pruned to eliminate duplicates Z: 17 9.504 1.867 0.828 0.250 0.812 0.375 CA 1.142 17 residues pruned to eliminate duplicates Z: 35 23.830 1.910 0.597 0.640 0.912 0.618 CB 1.289 35 residues pruned to eliminate duplicates Z: 48 29.351 1.877 0.714 0.550 0.936 0.596 CB 1.354 48 residues pruned to eliminate duplicates Z: 49 28.737 1.913 0.569 0.628 0.958 0.646 CB 1.277 49 residues pruned to eliminate duplicates Z: 41 27.397 1.968 0.620 0.593 0.925 0.575 CB 1.343 41 residues pruned to eliminate duplicates Z: 52 27.304 1.900 0.529 0.608 0.902 0.627 CB 1.316 52 residues pruned to eliminate duplicates Z: 31 26.325 1.978 0.652 0.657 1.000 0.667 CB 1.271 31 residues pruned to eliminate duplicates Z: 29 31.292 1.996 0.876 0.672 0.964 0.750 CA 1.397 29 residues pruned to eliminate duplicates Z: 29 27.566 2.000 0.681 0.680 0.964 0.714 CB 1.361 29 residues pruned to eliminate duplicates Z: 46 30.002 1.913 0.708 0.637 0.956 0.622 CB 1.260 46 residues pruned to eliminate duplicates Z: 45 33.345 1.953 0.756 0.691 0.932 0.682 CB 1.321 45 residues pruned to eliminate duplicates Z: 27 31.636 1.992 0.808 0.725 0.962 0.615 CB 1.463 27 residues pruned to eliminate duplicates Z: 29 29.165 2.013 0.798 0.689 0.929 0.607 CA 1.380 29 residues pruned to eliminate duplicates Z: 54 25.451 1.926 0.599 0.627 0.868 0.566 CB 1.161 54 residues pruned to eliminate duplicates Z: 29 32.782 2.016 0.886 0.672 1.000 0.643 CB 1.390 29 residues pruned to eliminate duplicates Z: 35 27.394 1.971 0.684 0.618 0.941 0.529 CB 1.345 35 residues pruned to eliminate duplicates Z: 52 25.511 1.837 0.590 0.533 0.902 0.549 CB 1.313 52 residues pruned to eliminate duplicates Z: 34 22.882 1.911 0.622 0.602 0.939 0.545 CB 1.242 34 residues pruned to eliminate duplicates Z: 27 30.243 2.006 0.867 0.745 0.923 0.654 CA 1.379 27 residues pruned to eliminate duplicates Z: 43 25.801 1.874 0.757 0.610 0.905 0.548 CB 1.205 43 residues pruned to eliminate duplicates Z: 56 33.255 1.948 0.702 0.639 0.945 0.618 CB 1.256 56 residues pruned to eliminate duplicates Z: 12 9.480 1.933 0.571 0.488 0.818 0.545 CB 1.164 12 residues pruned to eliminate duplicates Z: 25 27.185 1.992 0.832 0.659 0.958 0.625 CA 1.369 25 residues pruned to eliminate duplicates Z: 65 41.136 2.038 0.736 0.582 0.953 0.609 CA 1.409 65 residues pruned to eliminate duplicates Z: 37 34.374 2.033 0.789 0.639 0.972 0.611 CB 1.423 37 residues pruned to eliminate duplicates Z: 39 19.851 1.930 0.649 0.470 0.895 0.421 CB 1.166 39 residues pruned to eliminate duplicates Z: 41 22.640 1.900 0.677 0.506 0.900 0.425 CB 1.241 41 residues pruned to eliminate duplicates Z: 56 25.948 1.893 0.620 0.550 0.909 0.509 CB 1.195 56 residues pruned to eliminate duplicates Z: 40 27.626 1.937 0.846 0.541 0.923 0.487 CB 1.287 40 residues pruned to eliminate duplicates Z: 38 27.096 1.945 0.772 0.594 0.946 0.405 CB 1.249 38 residues pruned to eliminate duplicates Z: 43 28.664 1.993 0.689 0.567 0.929 0.571 CA 1.326 43 residues pruned to eliminate duplicates Z: 44 23.538 1.980 0.593 0.525 0.860 0.512 CA 1.290 44 residues pruned to eliminate duplicates Z: 82 39.687 1.986 0.665 0.583 0.926 0.494 CA 1.330 106 residues pruned to eliminate duplicates Z: 6 2.753 1.496 0.268 0.304 1.000 0.200 CA 0.808 Z: 6 5.437 1.674 0.725 0.471 1.000 0.800 CA 0.868 Z: 6 6.616 2.035 0.219 0.473 0.800 0.400 CA 1.532 Z: 6 3.647 1.784 0.794 0.340 0.600 0.200 N 1.011 6 residues pruned to eliminate duplicates Z: 42 25.968 2.021 0.621 0.527 0.878 0.585 CA 1.373 75 residues pruned to eliminate duplicates Z: 6 4.650 1.554 0.576 0.577 0.800 0.600 CA 0.985 6 residues pruned to eliminate duplicates Z: 37 30.764 2.081 0.792 0.579 0.917 0.667 CA 1.390 37 residues pruned to eliminate duplicates Z: 14 24.945 1.947 0.849 0.892 1.000 0.846 CA 1.380 14 residues pruned to eliminate duplicates Z: 40 30.552 2.040 0.819 0.564 0.923 0.667 CA 1.342 40 residues pruned to eliminate duplicates Z: 14 23.366 2.021 0.695 0.836 1.000 0.769 CA 1.417 14 residues pruned to eliminate duplicates Z: 39 31.302 2.059 0.799 0.582 0.895 0.605 CA 1.416 39 residues pruned to eliminate duplicates Z: 45 28.722 1.963 0.820 0.523 0.909 0.705 CB 1.304 45 residues pruned to eliminate duplicates Z: 42 26.316 1.980 0.716 0.524 0.927 0.537 CA 1.275 42 residues pruned to eliminate duplicates Z: 45 29.412 2.017 0.812 0.512 0.932 0.523 CA 1.286 45 residues pruned to eliminate duplicates Z: 13 25.360 2.061 0.999 0.862 0.833 0.750 CA 1.565 13 residues pruned to eliminate duplicates Z: 39 27.263 2.018 0.759 0.574 0.868 0.579 CA 1.337 39 residues pruned to eliminate duplicates Z: 41 30.668 2.009 0.753 0.571 0.950 0.550 CA 1.352 41 residues pruned to eliminate duplicates Z: 79 43.984 2.013 0.749 0.598 0.949 0.538 CA 1.359 79 residues pruned to eliminate duplicates Z: 39 30.634 2.002 0.754 0.567 0.947 0.632 CA 1.401 39 residues pruned to eliminate duplicates Z: 37 30.367 2.084 0.795 0.582 0.889 0.639 CA 1.406 37 residues pruned to eliminate duplicates Z: 37 37.815 2.088 0.921 0.616 0.972 0.611 CA 1.448 37 residues pruned to eliminate duplicates Z: 39 30.507 1.987 0.791 0.547 0.947 0.579 CA 1.402 39 residues pruned to eliminate duplicates Z: 43 31.094 1.998 0.816 0.541 0.952 0.619 CA 1.333 43 residues pruned to eliminate duplicates Z: 38 24.551 2.011 0.626 0.589 0.838 0.622 CA 1.353 38 residues pruned to eliminate duplicates Z: 52 32.087 2.008 0.840 0.500 0.922 0.549 CB 1.319 52 residues pruned to eliminate duplicates Z: 25 24.856 2.014 0.615 0.813 0.958 0.833 CA 1.240 24 residues pruned to eliminate duplicates Z: 24 31.596 2.042 0.747 0.865 1.000 0.913 CA 1.354 24 residues pruned to eliminate duplicates Z: 29 23.577 1.896 0.731 0.679 0.929 0.643 CA 1.240 29 residues pruned to eliminate duplicates Z: 10 7.877 1.875 0.738 0.289 0.778 0.333 CB 1.313 10 residues pruned to eliminate duplicates Z: 26 29.203 2.025 0.758 0.765 0.960 0.640 CA 1.351 26 residues pruned to eliminate duplicates Z: 26 28.222 2.037 0.683 0.775 0.960 0.680 CA 1.345 26 residues pruned to eliminate duplicates Z: 78 39.970 1.999 0.609 0.626 0.935 0.636 CB 1.345 78 residues pruned to eliminate duplicates Z: 26 32.989 2.030 0.929 0.739 0.960 0.600 CB 1.417 26 residues pruned to eliminate duplicates Z: 25 30.082 2.053 0.817 0.801 0.958 0.792 CA 1.320 25 residues pruned to eliminate duplicates Z: 72 40.371 2.017 0.653 0.620 0.930 0.620 CB 1.380 72 residues pruned to eliminate duplicates Z: 28 30.447 2.015 0.771 0.708 0.963 0.556 CB 1.412 28 residues pruned to eliminate duplicates Z: 26 32.182 2.041 0.890 0.763 0.920 0.720 CA 1.436 26 residues pruned to eliminate duplicates Z: 25 34.679 2.051 0.881 0.821 0.958 0.458 CA 1.449 25 residues pruned to eliminate duplicates Z: 26 35.670 2.045 1.024 0.757 0.960 0.480 CB 1.428 26 residues pruned to eliminate duplicates Z: 25 34.742 2.038 1.036 0.798 0.917 0.500 CB 1.437 25 residues pruned to eliminate duplicates Z: 26 33.282 2.008 0.986 0.780 1.000 0.480 CB 1.304 26 residues pruned to eliminate duplicates Z: 23 24.505 1.927 0.998 0.673 0.909 0.318 CB 1.273 23 residues pruned to eliminate duplicates Z: 28 30.315 1.972 1.107 0.695 0.963 0.519 CB 1.220 28 residues pruned to eliminate duplicates Z: 22 27.780 1.998 1.196 0.719 0.952 0.333 CB 1.190 22 residues pruned to eliminate duplicates Z: 35 25.640 2.000 0.966 0.644 0.824 0.471 CB 1.187 35 residues pruned to eliminate duplicates Z: 29 25.948 1.956 0.850 0.681 0.929 0.393 CB 1.236 29 residues pruned to eliminate duplicates Z: 71 38.352 2.007 0.720 0.576 0.871 0.500 CB 1.417 71 residues pruned to eliminate duplicates Z: 25 18.562 2.023 0.663 0.594 0.792 0.333 CB 1.300 25 residues pruned to eliminate duplicates Z: 23 15.517 1.992 0.739 0.583 0.682 0.273 CB 1.294 23 residues pruned to eliminate duplicates Z: 71 37.064 1.992 0.634 0.568 0.929 0.586 CB 1.372 71 residues pruned to eliminate duplicates Z: 38 24.552 1.984 0.735 0.601 0.865 0.432 CB 1.232 38 residues pruned to eliminate duplicates Z: 37 24.636 1.987 0.698 0.634 0.889 0.444 CB 1.208 37 residues pruned to eliminate duplicates Z: 66 39.272 2.021 0.712 0.600 0.923 0.538 CB 1.387 66 residues pruned to eliminate duplicates Z: 35 28.917 2.028 0.908 0.662 0.882 0.412 CB 1.250 35 residues pruned to eliminate duplicates Z: 78 42.384 1.996 0.576 0.650 0.974 0.714 CB 1.371 75 residues pruned to eliminate duplicates Z: 7 6.664 1.641 0.694 0.570 1.000 0.667 CB 0.915 7 residues pruned to eliminate duplicates Z: 75 40.761 2.013 0.750 0.610 0.905 0.608 CB 1.339 75 residues pruned to eliminate duplicates Z: 46 26.434 1.964 0.766 0.599 0.822 0.444 CB 1.257 46 residues pruned to eliminate duplicates Z: 34 15.499 2.005 0.450 0.428 0.788 0.545 CB 1.269 34 residues pruned to eliminate duplicates Z: 53 31.066 2.011 0.556 0.570 0.923 0.654 CB 1.394 53 residues pruned to eliminate duplicates Z: 74 41.949 2.028 0.737 0.605 0.932 0.562 CB 1.354 74 residues pruned to eliminate duplicates Z: 35 24.912 1.985 0.645 0.533 0.882 0.676 CA 1.436 35 residues pruned to eliminate duplicates Z: 25 17.937 1.953 0.646 0.481 0.833 0.667 CB 1.392 25 residues pruned to eliminate duplicates Z: 72 38.347 1.984 0.750 0.573 0.873 0.493 CB 1.399 72 residues pruned to eliminate duplicates Z: 47 25.016 1.987 0.485 0.553 0.935 0.587 CB 1.269 47 residues pruned to eliminate duplicates Z: 18 14.979 2.036 0.634 0.455 0.824 0.706 CA 1.388 18 residues pruned to eliminate duplicates Z: 37 21.580 1.957 0.587 0.494 0.889 0.639 CB 1.311 37 residues pruned to eliminate duplicates Z: 45 26.558 1.910 0.751 0.510 0.886 0.568 CB 1.337 45 residues pruned to eliminate duplicates Z: 34 24.616 1.982 0.679 0.545 0.848 0.545 CA 1.452 34 residues pruned to eliminate duplicates Z: 34 24.161 1.965 0.630 0.587 0.879 0.606 CB 1.375 34 residues pruned to eliminate duplicates Z: 36 20.096 1.941 0.403 0.557 0.829 0.657 CA 1.424 36 residues pruned to eliminate duplicates Z: 33 21.600 1.961 0.570 0.548 0.875 0.594 CB 1.352 33 residues pruned to eliminate duplicates Z: 39 26.391 2.016 0.581 0.579 0.868 0.632 CB 1.434 39 residues pruned to eliminate duplicates Z: 46 26.131 1.959 0.492 0.558 0.956 0.644 CB 1.318 46 residues pruned to eliminate duplicates Z: 38 29.090 2.015 0.640 0.586 0.919 0.703 CA 1.449 38 residues pruned to eliminate duplicates Z: 39 22.621 1.938 0.621 0.511 0.895 0.605 CB 1.291 39 residues pruned to eliminate duplicates Z: 38 28.013 2.003 0.667 0.564 0.919 0.703 CB 1.410 38 residues pruned to eliminate duplicates Z: 35 22.662 1.929 0.603 0.497 0.912 0.559 CB 1.382 35 residues pruned to eliminate duplicates Z: 39 27.106 1.975 0.605 0.529 0.921 0.632 CA 1.465 39 residues pruned to eliminate duplicates Z: 38 24.682 1.930 0.621 0.586 0.892 0.784 CB 1.339 38 residues pruned to eliminate duplicates Z: 23 18.391 1.912 0.518 0.642 1.000 0.727 CB 1.183 23 residues pruned to eliminate duplicates Z: 40 28.311 2.007 0.605 0.557 0.949 0.667 CB 1.403 40 residues pruned to eliminate duplicates Z: 21 22.341 2.002 0.645 0.701 1.000 0.850 CB 1.263 21 residues pruned to eliminate duplicates Z: 75 40.481 1.996 0.755 0.586 0.946 0.541 CB 1.307 75 residues pruned to eliminate duplicates Z: 39 29.206 2.011 0.722 0.567 0.895 0.632 CB 1.433 39 residues pruned to eliminate duplicates Z: 59 33.192 1.990 0.793 0.533 0.879 0.397 CB 1.345 59 residues pruned to eliminate duplicates Z: 63 31.273 1.970 0.688 0.540 0.855 0.516 CB 1.343 63 residues pruned to eliminate duplicates Z: 41 26.361 1.944 0.748 0.507 0.875 0.450 CB 1.392 41 residues pruned to eliminate duplicates Z: 21 20.454 1.959 0.805 0.712 0.900 0.600 CB 1.186 21 residues pruned to eliminate duplicates Z: 45 25.681 1.905 0.721 0.559 0.909 0.477 CB 1.227 45 residues pruned to eliminate duplicates Z: 38 28.809 2.010 0.791 0.587 0.919 0.676 CB 1.318 38 residues pruned to eliminate duplicates Z: 39 29.285 2.034 0.668 0.581 0.921 0.632 CB 1.406 39 residues pruned to eliminate duplicates Z: 38 27.595 2.021 0.703 0.561 0.892 0.595 CB 1.394 38 residues pruned to eliminate duplicates Z: 28 12.124 1.778 0.495 0.430 0.889 0.444 CB 1.062 36 residues pruned to eliminate duplicates Z: 8 11.727 2.009 0.732 0.628 0.714 0.143 CA 1.582 8 residues pruned to eliminate duplicates Z: 43 33.203 2.077 0.621 0.540 0.976 0.595 CB 1.499 43 residues pruned to eliminate duplicates Z: 24 12.652 1.923 0.699 0.323 0.783 0.522 CB 1.254 24 residues pruned to eliminate duplicates Z: 16 17.327 2.071 0.663 0.561 0.933 0.400 CB 1.311 16 residues pruned to eliminate duplicates Z: 20 14.986 1.914 0.708 0.452 0.842 0.368 CB 1.312 20 residues pruned to eliminate duplicates Z: 16 18.970 2.088 0.830 0.491 0.933 0.267 CB 1.386 16 residues pruned to eliminate duplicates Z: 42 34.882 2.018 0.758 0.545 0.976 0.683 CB 1.507 42 residues pruned to eliminate duplicates Z: 43 35.018 2.029 0.819 0.564 0.952 0.571 CB 1.444 43 residues pruned to eliminate duplicates Z: 16 21.748 2.094 0.810 0.566 1.000 0.533 CB 1.390 16 residues pruned to eliminate duplicates Z: 42 35.868 2.116 0.725 0.567 0.951 0.585 CB 1.513 42 residues pruned to eliminate duplicates Z: 41 38.581 2.117 0.801 0.546 0.975 0.650 CB 1.569 41 residues pruned to eliminate duplicates Z: 42 34.108 2.123 0.696 0.558 0.927 0.659 CB 1.509 42 residues pruned to eliminate duplicates Z: 42 36.766 2.089 0.820 0.554 0.976 0.537 CB 1.469 42 residues pruned to eliminate duplicates Z: 44 37.841 2.039 0.911 0.528 0.977 0.581 CB 1.474 44 residues pruned to eliminate duplicates Z: 42 33.629 2.112 0.722 0.584 0.927 0.561 CB 1.437 42 residues pruned to eliminate duplicates Z: 42 34.585 2.106 0.686 0.564 0.951 0.585 CB 1.503 42 residues pruned to eliminate duplicates Z: 34 31.305 2.069 0.766 0.545 0.970 0.606 CB 1.472 34 residues pruned to eliminate duplicates Z: 44 36.382 2.067 0.848 0.557 1.000 0.628 CB 1.374 44 residues pruned to eliminate duplicates Z: 42 35.312 2.092 0.833 0.562 0.951 0.537 CB 1.423 42 residues pruned to eliminate duplicates Z: 43 36.380 2.069 0.833 0.550 1.000 0.619 CB 1.410 43 residues pruned to eliminate duplicates Z: 43 36.090 2.083 0.788 0.555 0.976 0.571 CB 1.452 43 residues pruned to eliminate duplicates Z: 41 36.781 2.109 0.767 0.555 1.000 0.525 CB 1.480 41 residues pruned to eliminate duplicates Z: 42 39.818 2.116 0.875 0.569 0.976 0.537 CB 1.504 42 residues pruned to eliminate duplicates Z: 12 31.624 2.141 1.081 0.881 1.000 0.909 CA 1.549 12 residues pruned to eliminate duplicates Z: 42 35.177 2.068 0.764 0.539 0.951 0.585 CB 1.523 42 residues pruned to eliminate duplicates Z: 42 34.745 2.117 0.806 0.549 0.927 0.561 CB 1.459 42 residues pruned to eliminate duplicates Z: 35 32.533 2.085 0.853 0.560 0.941 0.618 CB 1.447 35 residues pruned to eliminate duplicates Z: 43 37.769 2.087 0.909 0.536 0.976 0.619 CB 1.446 43 residues pruned to eliminate duplicates Z: 42 40.484 2.132 0.916 0.576 0.976 0.610 CB 1.474 42 residues pruned to eliminate duplicates Z: 8 5.521 1.292 1.022 0.498 0.714 0.286 CA 1.121 Z: 8 7.878 1.507 0.855 0.508 1.000 0.571 CA 1.056 16 residues pruned to eliminate duplicates Z: 41 36.050 2.077 0.984 0.538 0.925 0.475 CB 1.440 41 residues pruned to eliminate duplicates Z: 43 38.024 2.119 0.927 0.556 1.000 0.524 CB 1.361 43 residues pruned to eliminate duplicates Z: 44 33.859 2.058 0.802 0.545 0.930 0.581 CB 1.432 44 residues pruned to eliminate duplicates Z: 44 27.112 1.992 0.767 0.546 0.884 0.395 CB 1.271 44 residues pruned to eliminate duplicates Z: 43 37.852 2.097 0.935 0.559 0.905 0.619 CB 1.503 43 residues pruned to eliminate duplicates Z: 44 35.577 2.053 0.811 0.531 1.000 0.512 CB 1.416 44 residues pruned to eliminate duplicates Z: 43 36.027 2.075 0.831 0.539 0.976 0.571 CB 1.442 43 residues pruned to eliminate duplicates Z: 42 38.819 2.080 0.906 0.552 0.976 0.610 CB 1.490 43 residues pruned to eliminate duplicates Z: 13 11.802 1.876 0.318 0.766 1.000 0.667 CB 1.088 13 residues pruned to eliminate duplicates Z: 40 20.732 1.832 0.629 0.511 0.872 0.615 CB 1.262 70 residues pruned to eliminate duplicates Z: 12 19.573 1.830 0.733 0.918 1.000 0.818 CA 1.312 12 residues pruned to eliminate duplicates Z: 20 14.413 1.872 0.460 0.598 0.895 0.632 CB 1.231 20 residues pruned to eliminate duplicates Z: 20 16.548 1.864 0.597 0.628 0.895 0.579 CB 1.263 20 residues pruned to eliminate duplicates Z: 21 11.785 1.768 0.550 0.523 0.850 0.700 CB 1.106 21 residues pruned to eliminate duplicates Z: 28 21.459 1.878 0.632 0.578 0.963 0.630 CB 1.298 28 residues pruned to eliminate duplicates Z: 20 15.461 1.847 0.537 0.598 0.947 0.684 CB 1.202 20 residues pruned to eliminate duplicates Z: 19 13.300 1.809 0.595 0.644 0.833 0.611 CB 1.139 19 residues pruned to eliminate duplicates Z: 20 17.031 1.860 0.713 0.567 0.895 0.526 CB 1.285 20 residues pruned to eliminate duplicates Z: 29 21.697 1.870 0.630 0.593 0.893 0.571 CB 1.379 29 residues pruned to eliminate duplicates Z: 27 23.371 1.865 0.822 0.622 0.962 0.654 CB 1.250 27 residues pruned to eliminate duplicates Z: 68 34.149 1.876 0.571 0.671 0.925 0.687 CB 1.307 79 residues pruned to eliminate duplicates Z: 6 2.499 1.784 0.580 0.237 0.400 0.400 CA 1.344 6 residues pruned to eliminate duplicates Z: 14 10.571 1.788 0.718 0.419 0.769 0.538 CA 1.350 14 residues pruned to eliminate duplicates Z: 27 15.496 1.735 0.567 0.467 0.885 0.538 CA 1.307 27 residues pruned to eliminate duplicates Z: 12 14.248 1.864 0.759 0.501 0.909 0.545 CA 1.440 12 residues pruned to eliminate duplicates Z: 26 24.954 1.892 0.804 0.631 0.960 0.720 CB 1.347 26 residues pruned to eliminate duplicates Z: 13 10.572 1.809 0.613 0.413 0.833 0.500 CA 1.375 13 residues pruned to eliminate duplicates Z: 13 9.580 1.739 0.724 0.413 0.833 0.500 CA 1.212 13 residues pruned to eliminate duplicates Z: 26 14.149 1.750 0.615 0.442 0.840 0.320 CB 1.265 26 residues pruned to eliminate duplicates Z: 26 17.379 1.802 0.684 0.517 0.880 0.560 CA 1.281 26 residues pruned to eliminate duplicates Z: 54 28.741 1.887 0.549 0.617 0.887 0.660 CA 1.363 54 residues pruned to eliminate duplicates Z: 16 10.594 1.718 0.586 0.275 0.933 0.467 CA 1.387 16 residues pruned to eliminate duplicates Z: 11 9.857 1.806 0.377 0.822 0.900 0.500 CB 1.054 11 residues pruned to eliminate duplicates Z: 52 22.469 1.824 0.478 0.603 0.863 0.549 CB 1.228 52 residues pruned to eliminate duplicates Z: 30 18.043 1.848 0.472 0.606 0.931 0.586 CB 1.196 30 residues pruned to eliminate duplicates Z: 23 10.207 1.705 0.396 0.595 0.909 0.545 CB 0.918 23 residues pruned to eliminate duplicates Z: 13 12.220 1.764 0.508 0.729 0.917 0.667 CB 1.177 13 residues pruned to eliminate duplicates Z: 12 9.534 1.796 0.347 0.759 0.909 0.545 CB 1.038 12 residues pruned to eliminate duplicates Z: 43 24.398 1.876 0.480 0.676 0.905 0.619 CB 1.274 43 residues pruned to eliminate duplicates Z: 44 25.867 1.867 0.600 0.669 0.907 0.651 CB 1.246 44 residues pruned to eliminate duplicates Z: 30 18.384 1.824 0.623 0.567 0.931 0.483 CB 1.161 30 residues pruned to eliminate duplicates Z: 46 26.373 1.853 0.499 0.691 0.933 0.644 CB 1.273 46 residues pruned to eliminate duplicates Z: 44 21.877 1.830 0.346 0.650 0.953 0.698 CB 1.235 44 residues pruned to eliminate duplicates Z: 7 3.124 1.681 0.542 0.245 0.833 0.500 CB 0.793 7 residues pruned to eliminate duplicates Z: 44 20.079 1.820 0.475 0.569 0.907 0.605 CB 1.176 44 residues pruned to eliminate duplicates Z: 32 17.998 1.836 0.524 0.588 0.871 0.581 CB 1.220 32 residues pruned to eliminate duplicates Z: 44 25.248 1.875 0.469 0.699 0.930 0.744 CB 1.253 44 residues pruned to eliminate duplicates Z: 32 16.713 1.816 0.618 0.502 0.871 0.484 CB 1.170 32 residues pruned to eliminate duplicates Z: 42 25.174 1.899 0.491 0.699 0.927 0.659 CB 1.249 42 residues pruned to eliminate duplicates Z: 31 23.980 1.944 0.418 0.675 0.967 0.767 CB 1.398 31 residues pruned to eliminate duplicates Z: 28 14.887 1.786 0.506 0.472 0.963 0.519 CB 1.139 28 residues pruned to eliminate duplicates Z: 34 20.855 1.883 0.518 0.612 0.909 0.697 CB 1.256 34 residues pruned to eliminate duplicates Z: 28 22.754 1.920 0.475 0.752 0.963 0.741 CA 1.282 28 residues pruned to eliminate duplicates Z: 18 14.121 1.905 0.468 0.545 0.941 0.529 CB 1.245 18 residues pruned to eliminate duplicates Z: 33 22.796 1.899 0.537 0.600 0.969 0.594 CA 1.296 33 residues pruned to eliminate duplicates Z: 30 23.702 1.933 0.526 0.692 0.931 0.690 CB 1.344 30 residues pruned to eliminate duplicates Z: 25 27.854 1.913 0.734 0.793 0.958 0.750 CB 1.383 25 residues pruned to eliminate duplicates Z: 24 26.025 1.961 0.758 0.818 0.913 0.565 CB 1.308 24 residues pruned to eliminate duplicates Z: 27 23.783 1.946 0.762 0.690 0.923 0.577 CB 1.239 27 residues pruned to eliminate duplicates Z: 32 22.080 1.899 0.697 0.641 0.871 0.516 CB 1.239 32 residues pruned to eliminate duplicates Z: 29 24.417 1.951 0.684 0.690 0.929 0.643 CB 1.271 29 residues pruned to eliminate duplicates Z: 27 24.299 1.961 0.723 0.709 0.962 0.538 CB 1.214 27 residues pruned to eliminate duplicates Z: 41 23.062 1.894 0.521 0.667 0.925 0.575 CB 1.172 41 residues pruned to eliminate duplicates Z: 30 24.144 1.919 0.658 0.670 0.931 0.586 CB 1.294 30 residues pruned to eliminate duplicates Z: 32 23.311 1.925 0.599 0.661 0.968 0.645 CB 1.211 32 residues pruned to eliminate duplicates Z: 25 26.659 1.952 0.743 0.804 0.917 0.583 CB 1.338 25 residues pruned to eliminate duplicates Z: 28 26.523 1.955 0.808 0.729 0.963 0.704 CB 1.220 28 residues pruned to eliminate duplicates Z: 42 24.945 1.886 0.555 0.692 0.927 0.537 CB 1.202 42 residues pruned to eliminate duplicates Z: 44 24.392 1.887 0.523 0.681 0.930 0.558 CB 1.178 44 residues pruned to eliminate duplicates Z: 43 25.537 1.847 0.588 0.707 0.952 0.595 CB 1.169 43 residues pruned to eliminate duplicates Z: 6 4.061 1.667 0.453 0.435 0.600 0.200 CB 1.336 6 residues pruned to eliminate duplicates Z: 32 23.739 1.945 0.570 0.666 0.968 0.516 CB 1.237 32 residues pruned to eliminate duplicates Z: 31 19.246 1.992 0.491 0.432 0.933 0.633 CB 1.360 Z: 6 6.436 1.952 -0.065 0.879 1.000 1.000 CB 1.144 6 residues pruned to eliminate duplicates Z: 8 5.249 1.718 0.187 0.730 0.714 0.571 N 1.107 8 residues pruned to eliminate duplicates Z: 35 17.042 1.905 0.483 0.409 0.794 0.618 CB 1.434 32 residues pruned to eliminate duplicates Z: 16 14.015 1.831 0.303 0.730 0.933 0.600 CB 1.321 15 residues pruned to eliminate duplicates Z: 14 12.632 1.993 0.264 0.603 0.923 0.692 CB 1.366 14 residues pruned to eliminate duplicates Z: 19 10.117 1.844 0.258 0.483 0.889 0.722 CB 1.177 19 residues pruned to eliminate duplicates Z: 81 38.363 1.993 0.676 0.483 0.938 0.613 CB 1.393 77 residues pruned to eliminate duplicates Z: 10 12.142 1.887 0.497 0.660 1.000 0.667 CA 1.235 10 residues pruned to eliminate duplicates Z: 32 20.734 1.948 0.697 0.436 0.903 0.581 CA 1.334 32 residues pruned to eliminate duplicates Z: 15 10.916 1.971 0.243 0.552 0.857 0.643 CB 1.320 15 residues pruned to eliminate duplicates Z: 35 18.419 1.855 0.556 0.434 0.882 0.529 CA 1.328 35 residues pruned to eliminate duplicates Z: 39 23.866 1.940 0.613 0.461 0.921 0.526 CB 1.397 36 residues pruned to eliminate duplicates Z: 7 7.022 1.726 0.860 0.415 0.833 0.667 N 1.172 7 residues pruned to eliminate duplicates Z: 31 18.237 1.948 0.442 0.467 0.867 0.667 CB 1.415 31 residues pruned to eliminate duplicates Z: 44 18.074 1.904 0.399 0.368 0.930 0.698 CB 1.281 47 residues pruned to eliminate duplicates Z: 6 3.763 1.675 0.491 0.232 1.000 0.400 CA 0.920 6 residues pruned to eliminate duplicates Z: 37 22.595 1.964 0.535 0.494 0.917 0.611 CB 1.370 37 residues pruned to eliminate duplicates Z: 31 19.625 1.947 0.632 0.449 0.867 0.600 CB 1.371 30 residues pruned to eliminate duplicates Z: 8 12.119 1.804 0.836 0.724 1.000 0.714 CA 1.130 8 residues pruned to eliminate duplicates Z: 24 14.371 1.845 0.790 0.356 0.826 0.435 CB 1.283 24 residues pruned to eliminate duplicates Z: 33 21.471 1.945 0.554 0.497 0.938 0.781 CB 1.344 33 residues pruned to eliminate duplicates Z: 7 7.942 1.729 0.436 0.798 1.000 0.833 CB 1.006 7 residues pruned to eliminate duplicates Z: 38 23.515 1.949 0.611 0.462 0.919 0.649 CB 1.394 38 residues pruned to eliminate duplicates Z: 7 5.980 1.809 0.239 0.840 1.000 0.833 CB 0.813 7 residues pruned to eliminate duplicates Z: 50 22.924 1.935 0.598 0.399 0.878 0.531 CB 1.343 50 residues pruned to eliminate duplicates Z: 46 20.526 1.938 0.548 0.421 0.844 0.489 CB 1.312 46 residues pruned to eliminate duplicates Z: 8 5.011 1.420 0.840 0.460 0.857 0.429 CB 0.881 8 residues pruned to eliminate duplicates Z: 43 19.971 1.947 0.516 0.392 0.881 0.643 CB 1.330 43 residues pruned to eliminate duplicates Z: 45 21.427 1.939 0.511 0.398 0.909 0.568 CB 1.352 45 residues pruned to eliminate duplicates Z: 47 21.592 1.911 0.578 0.398 0.935 0.543 CB 1.257 47 residues pruned to eliminate duplicates Z: 18 6.534 1.704 0.337 0.308 0.765 0.412 CB 1.126 18 residues pruned to eliminate duplicates Z: 7 6.151 1.993 0.304 0.334 1.000 0.333 CB 1.159 7 residues pruned to eliminate duplicates Z: 13 7.512 1.775 0.198 0.309 0.917 0.583 N 1.375 13 residues pruned to eliminate duplicates Z: 44 23.455 1.947 0.524 0.475 0.930 0.581 CB 1.329 44 residues pruned to eliminate duplicates Z: 41 29.634 2.109 0.667 0.520 0.925 0.625 CA 1.412 41 residues pruned to eliminate duplicates Z: 42 32.078 2.099 0.740 0.510 0.927 0.610 CA 1.466 42 residues pruned to eliminate duplicates Z: 41 33.975 2.119 0.766 0.534 0.900 0.650 CA 1.543 41 residues pruned to eliminate duplicates Z: 40 32.302 2.092 0.809 0.542 0.897 0.641 CA 1.461 40 residues pruned to eliminate duplicates Z: 41 30.830 2.077 0.775 0.538 0.900 0.525 CB 1.415 41 residues pruned to eliminate duplicates Z: 42 33.757 2.093 0.749 0.498 0.976 0.585 CA 1.480 42 residues pruned to eliminate duplicates Z: 40 33.824 2.086 0.762 0.552 0.949 0.667 CB 1.477 40 residues pruned to eliminate duplicates Z: 39 32.993 2.124 0.796 0.557 0.895 0.632 CA 1.483 39 residues pruned to eliminate duplicates Z: 41 34.842 2.132 0.772 0.530 0.925 0.625 CA 1.530 41 residues pruned to eliminate duplicates Z: 32 26.963 2.101 0.667 0.567 0.871 0.581 CA 1.488 32 residues pruned to eliminate duplicates Z: 40 34.517 2.109 0.730 0.522 1.000 0.590 CA 1.482 40 residues pruned to eliminate duplicates Z: 7 5.181 1.601 0.688 0.328 1.000 0.667 CA 0.945 7 residues pruned to eliminate duplicates Z: 41 37.739 2.114 0.805 0.542 1.000 0.600 CB 1.501 41 residues pruned to eliminate duplicates Z: 33 27.612 2.085 0.777 0.505 0.875 0.625 CA 1.498 33 residues pruned to eliminate duplicates Z: 41 34.727 2.135 0.864 0.481 0.925 0.600 CB 1.521 41 residues pruned to eliminate duplicates Z: 41 37.096 2.155 0.857 0.497 0.975 0.675 CA 1.508 41 residues pruned to eliminate duplicates Z: 44 30.552 2.080 0.844 0.453 0.884 0.558 CA 1.442 44 residues pruned to eliminate duplicates Z: 33 27.970 2.088 0.796 0.495 0.875 0.625 CA 1.514 33 residues pruned to eliminate duplicates Z: 28 31.385 2.135 0.767 0.600 0.926 0.630 CA 1.572 28 residues pruned to eliminate duplicates Z: 40 35.428 2.131 0.817 0.495 0.949 0.615 CB 1.553 40 residues pruned to eliminate duplicates Z: 42 31.822 2.133 0.718 0.453 0.951 0.634 CA 1.496 42 residues pruned to eliminate duplicates Z: 41 32.917 2.094 0.936 0.510 0.875 0.550 CB 1.453 41 residues pruned to eliminate duplicates Z: 41 34.409 2.112 0.848 0.500 0.925 0.625 CA 1.507 41 residues pruned to eliminate duplicates Z: 39 33.518 2.157 0.739 0.532 0.895 0.579 CA 1.570 39 residues pruned to eliminate duplicates Z: 42 36.607 2.100 0.975 0.481 0.951 0.488 CA 1.477 42 residues pruned to eliminate duplicates Z: 42 30.919 2.073 0.847 0.464 0.927 0.537 CB 1.412 42 residues pruned to eliminate duplicates Z: 43 33.741 2.099 0.803 0.468 0.929 0.476 CA 1.530 43 residues pruned to eliminate duplicates Z: 41 37.470 2.133 0.928 0.521 0.950 0.550 CB 1.485 41 residues pruned to eliminate duplicates Z: 41 32.544 2.087 0.887 0.456 0.900 0.475 CB 1.518 41 residues pruned to eliminate duplicates Z: 42 32.820 2.129 0.813 0.475 0.927 0.585 CB 1.469 42 residues pruned to eliminate duplicates Z: 42 34.122 2.097 0.912 0.495 0.902 0.537 CB 1.480 42 residues pruned to eliminate duplicates Z: 42 30.368 2.099 0.825 0.451 0.878 0.439 CB 1.482 42 residues pruned to eliminate duplicates Z: 40 34.812 2.106 0.882 0.541 0.923 0.538 CB 1.464 40 residues pruned to eliminate duplicates Z: 42 36.142 2.115 0.977 0.484 0.902 0.537 CB 1.521 42 residues pruned to eliminate duplicates Z: 43 31.016 2.042 0.828 0.457 0.929 0.524 CB 1.443 43 residues pruned to eliminate duplicates Z: 41 34.556 2.087 0.984 0.511 0.900 0.650 CB 1.450 41 residues pruned to eliminate duplicates 1114 residues left after pruning, divided into chains as follows: A: 39 B: 12 C: 11 D: 7 E: 37 F: 41 G: 133 H: 79 I: 68 J: 17 K: 126 L: 145 M: 8 N: 127 O: 78 P: 41 Q: 65 R: 80 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 35.86 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.515, Connect. = 0.743 for dens.mod. cycle 1 = 0.300, Contrast = 0.604, Connect. = 0.768 for dens.mod. cycle 2 = 0.300, Contrast = 0.727, Connect. = 0.792 for dens.mod. cycle 3 = 0.300, Contrast = 0.750, Connect. = 0.795 for dens.mod. cycle 4 = 0.300, Contrast = 0.768, Connect. = 0.797 for dens.mod. cycle 5 = 0.300, Contrast = 0.775, Connect. = 0.798 for dens.mod. cycle 6 = 0.300, Contrast = 0.782, Connect. = 0.800 for dens.mod. cycle 7 = 0.300, Contrast = 0.784, Connect. = 0.801 for dens.mod. cycle 8 = 0.300, Contrast = 0.787, Connect. = 0.801 for dens.mod. cycle 9 = 0.300, Contrast = 0.788, Connect. = 0.802 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.95 - 3.93 - 3.44 - 3.13 - 2.90 - 2.73 - 2.60 - 2.48 - 2.39 - 2.30 0.758 0.785 0.770 0.729 0.699 0.669 0.670 0.665 0.649 0.606 0.869 0.890 0.883 0.852 0.833 0.796 0.799 0.799 0.786 0.732 N 7896 7972 7815 7790 8157 7857 7524 8393 7488 7691 Estimated mean FOM = 0.700 Pseudo-free CC = 72.13 % Best trace (cycle 1 with CC 39.23%) was saved as ./2anu-2.3-parrot-noncs/2anu-2.3-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 3.1 - Setup, data input and phasing 51.0 - FFTs and peak-searches 68.4 - Sphere of influence 0.9 - Rest of density modification 0.0 - Alpha-helix search 1629.7 - Tripeptide search 20183.7 - Chain tracing 0.0 - NCS analysis 98.4 - B-value refinement for trace 1.2 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 07:43:06 Total time: 22036.81 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 370.04 Used memory is bytes: 53038960